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testdata/recetox-aplcms/recovered/recovered-extracted/RCX_08_shortened.parquet LFS
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testdata/recetox-aplcms/recovered/recovered_feature_sample_table.parquet LFS
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testdata/recetox-aplcms/template/RCX_shortened.parquet LFS
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testdata/recetox-aplcms/unsupervised/RCX_shortened_unsupervised.parquet 0 → 100644 LFS
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testdata/recetox-aplcms/unsupervised/mbr_test_unsupervised.parquet 0 → 100644 LFS
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testdata/recetox-aplcms/unsupervised/qc_no_dil_milliq_unsupervised.parquet 0 → 100644 LFS
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testdata/recetox-xMSannotator/batch1_neg/Stage5.csv
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testdata/recetox-xMSannotator/batch1_neg/global_cor_integ.Rda 0 → 100644 LFS
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testdata/recetox-xMSannotator/qc_matrix/Stage5.csv
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testdata/recetox-xMSannotator/qc_matrix/expected_chemscore.Rds 0 → 100644 LFS
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testdata/recetox-xMSannotator/qc_matrix/global_cor_integ.Rda 0 → 100644 LFS
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testdata/recetox-xMSannotator/qc_solvent/Stage5.csv
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"chemical_ID","Confidence","score","Module_RTclust","mz","time","MatchCategory","theoretical.mz","delta_ppm","Name","Formula","MonoisotopicMass","Adduct","ISgroup","mean_int_vec","MD"
"HMDB39947",3,211764705.882354,"4_1",407.21317,686.3,"Unique",NA,NA,"Pisumionoside","C19H32O9","-","M+H_[+2]","ISgroup_4_426_22",8943822.78333333,0.213169999999991
"HMDB39947",3,211764705.882354,"4_1",405.2094,686.1,"Unique",405.21191,6.19,"Pisumionoside","C19H32O9","404.204632622","M+H","ISgroup_4_426_21",826551521.3,0.209
"HMDB39521",3,4764705.88235295,"10_1",284.12795,379.4,"Multiple",284.12812,0.6,"N-(p-Hydroxyphenyl)ethyl p-hydroxycinnamide","C17H17NO3","283.120843415","M+H","ISgroup_10_279_13",215413053.4,0.128
"HMDB34669",3,4764705.88235295,"10_1",284.12795,379.4,"Multiple",284.12812,0.6,"Anaxagoreine","C17H17NO3","283.120843415","M+H","ISgroup_10_279_13",215413053.4,0.128
"HMDB32854",3,259615384.615385,"10_1",193.14155,631,"Multiple",NA,NA,"N-Acetyl-26-diethylaniline","C12H17NO","-","M+H_[+1]","ISgroup_10_761_15",294220741.875,0.141549999999995
"HMDB32854",3,259615384.615385,"10_1",192.13883,631.4,"Multiple",192.13829,2.81,"N-Acetyl-26-diethylaniline","C12H17NO","191.131014171","M+H","ISgroup_10_761_14",2287096450.4,0.139
"HMDB32845",3,4764705.88235295,"10_1",284.12795,379.4,"Multiple",284.12812,0.6,"2-Methyl(3-phenylpropanoyl)aminobenzoic acid","C17H17NO3","283.120843415","M+H","ISgroup_10_279_13",215413053.4,0.128
"HMDB32635",3,259615384.615385,"10_1",193.14155,631,"Multiple",NA,NA,"NN-Diethylbenzeneacetamide","C12H17NO","-","M+H_[+1]","ISgroup_10_761_15",294220741.875,0.141549999999995
"HMDB32635",3,259615384.615385,"10_1",192.13883,631.4,"Multiple",192.13829,2.81,"NN-Diethylbenzeneacetamide","C12H17NO","191.131014171","M+H","ISgroup_10_761_14",2287096450.4,0.139
"HMDB30191",3,4764705.88235295,"10_1",284.12795,379.4,"Multiple",284.12812,0.6,"N-2-Hydroxy-2-(4-hydroxyphenyl)ethylcinnamide","C17H17NO3","283.120843415","M+H","ISgroup_10_279_13",215413053.4,0.128
"HMDB28975",3,235922330.097087,"10_1",288.12145,379.2,"Multiple",NA,NA,"Methionyl-Histidine","C11H18N4O3S","-","M+H_[+1]","ISgroup_10_279_13",14669862.1166667,0.121449999999982
"HMDB28975",3,235922330.097087,"10_1",287.11862,379.5,"Multiple",287.11724,4.81,"Methionyl-Histidine","C11H18N4O3S","286.109961152","M+H","ISgroup_10_279_12",156149694.7,0.119
"HMDB28891",3,235922330.097087,"10_1",288.12145,379.2,"Multiple",NA,NA,"Histidinyl-Methionine","C11H18N4O3S","-","M+H_[+1]","ISgroup_10_279_13",14669862.1166667,0.121449999999982
"HMDB28891",3,235922330.097087,"10_1",287.11862,379.5,"Multiple",287.11724,4.81,"Histidinyl-Methionine","C11H18N4O3S","286.109961152","M+H","ISgroup_10_279_12",156149694.7,0.119
"HMDB15692",3,267326732.673267,"10_1",287.14162,739.1,"Multiple",NA,NA,"Isothipendyl","C16H19N3S","-","M+H_[+1]","ISgroup_10_958_15",97468106.2083333,0.141619999999989
"HMDB15692",3,267326732.673267,"10_1",286.13873,739.2,"Multiple",286.13724,5.21,"Isothipendyl","C16H19N3S","285.129968313","M+H","ISgroup_10_958_14",656072124.3,0.139
"HMDB15519",3,259615384.615385,"10_1",193.14155,631,"Multiple",NA,NA,"Phendimetrazine","C12H17NO","-","M+H_[+1]","ISgroup_10_761_15",294220741.875,0.141549999999995
"HMDB15519",3,259615384.615385,"10_1",192.13883,631.4,"Multiple",192.13829,2.81,"Phendimetrazine","C12H17NO","191.131014171","M+H","ISgroup_10_761_14",2287096450.4,0.139
"HMDB03563",3,4764705.88235295,"10_1",284.12795,379.4,"Multiple",284.12812,0.6,"Morphinone","C17H17NO3","283.120843415","M+H","ISgroup_10_279_13",215413053.4,0.128
"HMDB02372",3,4764705.88235295,"10_1",284.12795,379.4,"Multiple",284.12812,0.6,"N-Phenylacetylphenylalanine","C17H17NO3","283.120843415","M+H","ISgroup_10_279_13",215413053.4,0.128
"HMDB02171",3,267326732.673267,"10_1",287.14162,739.1,"Multiple",NA,NA,"Glycylprolylhydroxyproline","C12H19N3O5","-","M+H_[+1]","ISgroup_10_958_15",97468106.2083333,0.141619999999989
"HMDB00121",0,0,"11_1",230.08948,738,"Multiple",230.09039,3.95,"Folic acid","C19H19N7O6","441.139681375","M+H+NH4","ISgroup_11_392_9",36772521.3,0.089
"HMDB00126",2,1e+05,"11_1",173.02248,575.3,"Multiple",173.02095,8.84,"Glycerol 3-phosphate","C3H9O6P","172.013674532","M+H","ISgroup_11_70_3",24325532.1,0.022
"HMDB00235",2,1e+05,"5_1",266.11785,373.7,"Multiple",266.11958,6.5,"Thiamine","C12H17N4OS","265.112306876","M+H","ISgroup_5_253_12",9633310.5,0.118
"HMDB00267",2,1e+05,"5_1",130.05035,503.7,"Multiple",130.04987,3.69,"Pyroglutamic acid","C5H7NO3","129.042593095","M+H","ISgroup_5_507_6",73329969.6,0.05
"HMDB00269",2,1e+05,"5_1",302.30581,956.1,"Unique",302.30536,1.49,"Sphinganine","C18H39NO2","301.298079497","M+H","ISgroup_5_1300_31",18555783.8,0.306
"HMDB00328",2,1e+05,"10_1",391.28443,1062.6,"Multiple",391.28429,0.36,"12-Ketodeoxycholic acid","C24H38O4","390.277009704","M+H","ISgroup_10_1565_29",112944479.3,0.284
"HMDB00460",2,1e+05,"10_1",391.28443,1062.6,"Multiple",391.28429,0.36,"7-Hydroxy-3-oxocholanoic acid","C24H38O4","390.277009704","M+H","ISgroup_10_1565_29",112944479.3,0.284
"HMDB00466",2,1e+05,"10_1",132.08104,711.5,"Multiple",132.08078,1.97,"3-Methylindole","C9H9N","131.073499293","M+H","ISgroup_10_915_9",12082032.1,0.081
"HMDB00467",2,1e+05,"10_1",391.28443,1062.6,"Multiple",391.28429,0.36,"Nutriacholic acid","C24H38O4","390.277009704","M+H","ISgroup_10_1565_29",112944479.3,0.284
"HMDB00503",2,1e+05,"10_1",391.28443,1062.6,"Multiple",391.28429,0.36,"7a-Hydroxy-3-oxo-5b-cholanoic acid","C24H38O4","390.277009704","M+H","ISgroup_10_1565_29",112944479.3,0.284
"HMDB00567",2,1e+05,"5_1",149.06002,865,"Multiple",149.05971,2.08,"Cinnamic acid","C9H8O2","148.0524295","M+H","ISgroup_5_1139_7",19920948.4,0.06
"HMDB00635",2,1e+05,"5_1",159.06547,365.9,"Multiple",159.06518,1.82,"Succinylacetone","C7H10O4","158.057908808","M+H","ISgroup_5_238_7",22151998.4,0.065
"HMDB00698",0,0,"5_1",226.18037,751.9,"Multiple",226.18015,0.97,"Lithocholic acid glycine conjugate","C26H43NO4","433.319208869","M+H+NH4","ISgroup_5_941_19",59875437,0.18
"HMDB00757",0,0,"2_1",334.11633,775.4,"Multiple",334.11821,5.63,"Glycogen","C24H42O21","666.221858406","M+2H","ISgroup_2_1024_12",9748008,0.116
"HMDB00782",2,1e+05,"5_1",315.25297,886.3,"Multiple",315.25299,0.06,"Octadecanedioic acid","C18H34O4","314.245709576","M+H","ISgroup_5_1178_26",12032470.7,0.253
"HMDB00805",2,1e+05,"5_1",130.05035,503.7,"Multiple",130.04987,3.69,"Pyrrolidonecarboxylic acid","C5H7NO3","129.042593095","M+H","ISgroup_5_507_6",73329969.6,0.05
"HMDB00842",2,1e+05,"10_1",174.05466,345.1,"Unique",174.05495,1.67,"Quinaldic acid","C10H7NO2","173.047678473","M+H","ISgroup_10_218_6",644397678.5,0.055
"HMDB00930",2,1e+05,"5_1",149.06002,865,"Multiple",149.05971,2.08,"trans-Cinnamic acid","C9H8O2","148.0524295","M+H","ISgroup_5_1139_7",19920948.4,0.06
"HMDB01062",0,0,"10_1",160.05025,295.6,"Multiple",160.04868,9.81,"N-Acetyl-D-Glucosamine 6-Phosphate","C8H16NO9P","301.056267627","M+H+NH4","ISgroup_10_125_6",91668458.7,0.05
"HMDB01085",2,1e+05,"5_1",337.23515,858.6,"Multiple",337.23734,6.49,"Leukotriene B4","C20H32O4","336.230059512","M+H","ISgroup_5_1129_24",29401790.1,0.235
"HMDB01121",0,0,"10_1",160.05025,295.6,"Multiple",160.04868,9.81,"N-Acetyl-D-mannosamine 6-phosphate","C8H16NO9P","301.056267627","M+H+NH4","ISgroup_10_125_6",91668458.7,0.05
"HMDB01139",0,0,"5_1",178.12612,508.6,"Multiple",178.12759,8.25,"Prostaglandin F2a","C20H34O5","354.240624198","M+2H","ISgroup_5_514_13",29081289.6,0.126
"HMDB01193",2,1e+05,"5_1",337.23515,858.6,"Multiple",337.23734,6.49,"5(S)-Hydroperoxyeicosatetraenoic acid","C20H32O4","336.230059512","M+H","ISgroup_5_1129_24",29401790.1,0.235
"HMDB01199",2,1e+05,"5_1",233.11243,872.7,"Multiple",233.1132,3.3,"N2-Succinyl-L-ornithine","C9H16N2O5","232.105921632","M+H","ISgroup_5_1154_12",72214869.9,0.112
"HMDB01248",2,1e+05,"1_1",786.15783,923.9,"Unique",786.16441,8.37,"FAD","C27H33N9O15P2","785.157134455","M+H","ISgroup_1_1357_16",51419467.8,0.158
"HMDB01296",0,0,"2_1",334.11633,775.4,"Multiple",334.11821,5.63,"Maltotetraose","C24H42O21","666.221858406","M+2H","ISgroup_2_1024_12",9748008,0.116
"HMDB01367",0,0,"10_1",160.05025,295.6,"Multiple",160.04868,9.81,"N-Acetyl-glucosamine 1-phosphate","C8H16NO9P","301.056267627","M+H+NH4","ISgroup_10_125_6",91668458.7,0.05
"HMDB01369",2,1e+05,"5_1",130.05035,503.7,"Multiple",130.04987,3.69,"Pyrroline hydroxycarboxylic acid","C5H7NO3","129.042593095","M+H","ISgroup_5_507_6",73329969.6,0.05
"HMDB01421",0,0,"11_1",241.70519,540.1,"Multiple",241.70327,7.94,"44-Dimethyl-14a-formyl-5a-cholesta-824-dien-3b-ol","C30H48O2","440.36543078","M+ACN+2H","ISgroup_11_1_71",213924.9,0.705
"HMDB01442",0,0,"5_1",178.12612,508.6,"Multiple",178.12759,8.25,"Prostaglandin E1","C20H34O5","354.240624198","M+2H","ISgroup_5_514_13",29081289.6,0.126
"HMDB01460",2,1e+05,"10_1",171.02427,237.1,"Unique",171.02393,1.99,"Diethylthiophosphate","C4H11O3PS","170.01665142","M+H","ISgroup_10_16_3",16535646.6,0.024
"HMDB01483",0,0,"5_1",178.12612,508.6,"Multiple",178.12759,8.25,"Prostaglandin F2b","C20H34O5","354.240624198","M+2H","ISgroup_5_514_13",29081289.6,0.126
"HMDB01843",2,1e+05,"5_1",130.05035,503.7,"Multiple",130.04987,3.69,"N-Acryloylglycine","C5H7NO3","129.042593095","M+H","ISgroup_5_507_6",73329969.6,0.05
"HMDB01876",2,1e+05,"1_1",264.05614,699.7,"Multiple",264.05363,9.51,"Epinephrine sulfate","C9H13NO6S","263.046357843","M+H","ISgroup_1_918_6",38780362.4,0.056
"HMDB01893",0,0,"2_1",216.19582,639.7,"Multiple",216.19782,9.25,"Alpha-Tocopherol","C29H50O2","430.381080844","M+2H","ISgroup_2_776_20",3469530.6,0.196
"HMDB01965",0,0,"5_1",178.12612,508.6,"Multiple",178.12759,8.25,"Troxilin B3","C20H34O5","354.240624198","M+2H","ISgroup_5_514_13",29081289.6,0.126
"HMDB01977",0,0,"5_1",178.12612,508.6,"Multiple",178.12759,8.25,"Trioxilin A3","C20H34O5","354.240624198","M+2H","ISgroup_5_514_13",29081289.6,0.126
"HMDB02088",0,0,"10_1",184.16965,228.9,"Multiple",184.16959,0.33,"N-Oleoylethanolamine","C20H39NO2","325.298079497","M+ACN+2H","ISgroup_10_1_17",5258584.2,0.17
"HMDB02115",0,0,"5_1",178.12612,508.6,"Multiple",178.12759,8.25,"8-isoprostaglandin PGF2b","C20H34O5","354.240624198","M+2H","ISgroup_5_514_13",29081289.6,0.126
"HMDB02121",2,1e+05,"10_1",331.1891,968.5,"Multiple",331.19039,3.9,"Carnosol","C20H26O4","330.18310932","M+H","ISgroup_10_1389_19",15100576.7,0.189
"HMDB02169",2,1e+05,"10_1",164.07278,417.3,"Multiple",164.07398,7.31,"S-(2-carboxypropyl)-Cysteamine","C6H13NO2S","163.066699355","M+H","ISgroup_10_349_8",74844957.9,0.073
"HMDB02171",3,267326732.673267,"10_1",286.13873,739.2,"Multiple",286.13975,3.56,"Glycylprolylhydroxyproline","C12H19N3O5","285.132470733","M+H","ISgroup_10_958_14",656072124.3,0.139
"HMDB61168",2,1e+05,"11_1",318.10226,782.9,"Unique",318.10529,9.53,"N2-Monodes-methylnizatidine","C11H19N5O2S2","317.098016257","M+H","ISgroup_11_479_11",6481245.9,0.102
"HMDB61136",2,1e+05,"9_1",265.1158,502.3,"Multiple",265.11828,9.35,"di-Hydroxymelatonin","C13H16N2O4","264.11100701","M+H","ISgroup_9_529_12",99131198.4,0.116
"HMDB61122",2,1e+05,"1_1",266.17662,758,"Multiple",266.17507,5.82,"4-Hydroxy-alprenolol","C15H23NO3","265.167793607","M+H","ISgroup_1_1028_18",29207341.7,0.177
"HMDB61093",2,1e+05,"5_1",130.05035,503.7,"Multiple",130.04987,3.69,"dimethadione","C5H7NO3","129.042593095","M+H","ISgroup_5_507_6",73329969.6,0.05
"HMDB61092",2,1e+05,"5_1",397.17913,667.9,"Multiple",397.18211,7.5,"fluticasone 17beta-carboxylic acid","C21H26F2O5","396.174830352","M+H","ISgroup_5_809_18",92649645.3,0.179
"HMDB61020",2,1e+05,"5_1",734.46899,667.9,"Multiple",734.46852,0.64,"N-desmethylclarithromycin","C37H67NO13","733.461241235","M+H","ISgroup_5_809_47",60968370.5,0.469
"HMDB60881",2,1e+05,"2_1",199.03922,595.3,"Multiple",199.03977,2.76,"Dechloroethyl cyclophosphamide","C5H12ClN2O2P","198.032491857","M+H","ISgroup_2_692_4",30551930.8,0.039
"HMDB60656",2,1e+05,"10_1",207.15015,626.4,"Multiple",207.14919,4.63,"Monoethylglycinexylidide","C12H18N2O","206.141913208","M+H","ISgroup_10_754_16",2444599978.7,0.15
"HMDB60582",2,1e+05,"5_1",397.17913,667.9,"Multiple",397.1758,8.38,"Benazeprilat","C22H24N2O5","396.168521888","M+H","ISgroup_5_809_18",92649645.3,0.179
"HMDB60564",2,1e+05,"4_1",237.11298,774.2,"Multiple",237.11213,3.58,"Carboxy-ibuprofen","C13H16O4","236.104859","M+H","ISgroup_4_598_12",68390529.9,0.113
"HMDB60558",2,1e+05,"5_1",198.11108,524.4,"Multiple",198.11247,7.02,"Desglymidodrine","C10H15NO3","197.105193351","M+H","ISgroup_5_543_12",7900657.4,0.111
"HMDB60549",2,1e+05,"5_1",224.08421,734.8,"Unique",224.08367,2.41,"Norketamine","C12H14ClNO","223.076391782","M+H","ISgroup_5_917_9",1163722908.5,0.084
"HMDB60494",2,1e+05,"5_1",365.15331,668.2,"Unique",365.15546,5.89,"N-Acetylmuramoyl-Ala","C14H24N2O9","364.148180376","M+H","ISgroup_5_809_16",134407824.8,0.153
"HMDB60422",2,1e+05,"7_1",273.12589,733.9,"Multiple",273.12739,5.49,"712-Dimethylbenzaanthracene 56-oxide","C20H16O","272.120115134","M+H","ISgroup_7_942_13",9716873.9,0.126
"HMDB60419",2,1e+05,"7_1",273.12589,733.9,"Multiple",273.12739,5.49,"7-Hydroxymethyl-12-methylbenzaanthracene","C20H16O","272.120115134","M+H","ISgroup_7_942_13",9716873.9,0.126
"HMDB60388",2,1e+05,"9_1",275.16451,1054.8,"Multiple",275.16417,1.24,"4-Hydroxy-3-polyprenylbenzoate","C17H22O3","274.15689457","M+H","ISgroup_9_1621_17",10989430.9,0.165
"HMDB60354",2,1e+05,"9_1",275.16451,1054.8,"Multiple",275.16417,1.24,"2-Polyprenyl-6-methoxy-14-benzoquinone","C17H22O3","274.15689457","M+H","ISgroup_9_1621_17",10989430.9,0.165
"HMDB60341",2,1e+05,"7_1",273.12589,733.9,"Multiple",273.12739,5.49,"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene","C20H16O","272.120115134","M+H","ISgroup_7_942_13",9716873.9,0.126
"HMDB60320",2,1e+05,"1_1",189.03764,503.8,"Multiple",189.03936,9.1,"(Z)-But-1-ene-124-tricarboxylate","C7H8O6","188.032087988","M+H","ISgroup_1_532_4",23576405.5,0.038
"HMDB60297",2,1e+05,"11_1",639.11925,924,"Multiple",639.11919,0.09,"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide","C27H26O18","638.111914028","M+H","ISgroup_11_754_12",5065998,0.119
"HMDB60262",2,1e+05,"5_1",130.05035,503.7,"Multiple",130.04987,3.69,"5-Oxoprolinate","C5H7NO3","129.042593095","M+H","ISgroup_5_507_6",73329969.6,0.05
"HMDB60105",2,1e+05,"5_1",337.23515,858.6,"Multiple",337.23734,6.49,"1220-DiHETE","C20H32O4","336.230059512","M+H","ISgroup_5_1129_24",29401790.1,0.235
"HMDB60104",2,1e+05,"5_1",337.23515,858.6,"Multiple",337.23734,6.49,"Prostaglandin C1","C20H32O4","336.230059512","M+H","ISgroup_5_1129_24",29401790.1,0.235
"HMDB60103",2,1e+05,"5_1",337.23515,858.6,"Multiple",337.23734,6.49,"9-Deoxy-delta12-PGD2","C20H32O4","336.230059512","M+H","ISgroup_5_1129_24",29401790.1,0.235
"HMDB60017",2,1e+05,"5_1",303.07376,751.7,"Unique",303.07106,8.91,"Pyrogallol-2-O-glucuronide","C12H14O9","302.063782046","M+H","ISgroup_5_941_8",61119913.3,0.074
"HMDB59815",2,1e+05,"5_1",159.06547,365.9,"Multiple",159.06518,1.82,"Ethyl 5-oxotetrahydro-2-furancarboxylate","C7H10O4","158.057908808","M+H","ISgroup_5_238_7",22151998.4,0.065
"HMDB59718",2,1e+05,"5_1",326.14632,892.1,"Multiple",326.14456,5.4,"Glucopyranosylmoranoline","C12H23NO9","325.137281339","M+H","ISgroup_5_1187_15",453622299.8,0.146
"HMDB59622",2,1e+05,"5_1",177.05475,510,"Multiple",177.05462,0.73,"4-Methylumbelliferone","C10H8O3","176.047344122","M+H","ISgroup_5_516_6",40920417.9,0.055
"HMDB42037",2,1e+05,"10_1",161.05416,296.2,"Multiple",161.05568,9.44,"Thymine glycol","C5H8N2O4","160.048406754","M+H","ISgroup_10_125_6",5569164.2,0.054
"HMDB41927",2,1e+05,"9_1",164.10744,478.9,"Multiple",164.10699,2.74,"Methcathinone","C10H13NO","163.099714043","M+H","ISgroup_9_483_11",10896604,0.107
"HMDB41819",2,1e+05,"9_1",252.11481,750.1,"Unique",252.11314,6.62,"7-Aminonitrazepam","C15H13N3O","251.105862053","M+H","ISgroup_9_1021_12",188470913.9,0.115
"HMDB41765",2,1e+05,"5_1",758.22397,1093.2,"Multiple",758.22639,3.19,"Peonidin 3-sambubioside 5-glucoside","C33H41O20","757.219118752","M+H","ISgroup_5_1502_23",1072974028.3,0.224
"HMDB41753",2,1e+05,"3_1",610.18587,1046,"Multiple",610.18922,5.49,"Isopeonidin 3-rutinoside","C28H33O15","609.181945386","M+H","ISgroup_3_1387_19",2019628892.5,0.186
"HMDB41636",2,1e+05,"2_1",209.15471,781.5,"Multiple",209.15361,5.26,"(3R8E)-3-Hydroxy-58-megastigmadien-7-one","C13H20O2","208.146329884","M+H","ISgroup_2_1034_16",36214625.7,0.155
"HMDB41619",2,1e+05,"10_1",371.31553,1116.1,"Multiple",371.31559,0.16,"Dioctyl hexanedioate","C22H42O4","370.308309832","M+H","ISgroup_10_1669_32",55628787.6,0.316
"HMDB41554",2,1e+05,"10_1",211.17037,625.7,"Multiple",211.16926,5.26,"Artemisyl propionate","C13H22O2","210.161979948","M+H","ISgroup_10_754_18",362431364.1,0.17
"HMDB41552",2,1e+05,"5_20",389.18419,721.3,"Multiple",389.18061,9.2,"2-4-(3-Hydroxypropyl)-2-methoxyphenoxy-13-propanediol 1-xyloside","C18H28O9","388.173332494","M+H","ISgroup_5_901_19",70711139,0.184
"HMDB41527",2,1e+05,"2_1",447.34665,1134.2,"Multiple",447.34689,0.54,"3-Dehydroteasterone","C28H46O4","446.33960996","M+H","ISgroup_2_1698_35",54734995.6,0.347
"HMDB41481",2,1e+05,"2_1",193.08755,337.8,"Multiple",193.08592,8.44,"4-(34-Methylenedioxyphenyl)-2-butanone","C11H12O3","192.07864425","M+H","ISgroup_2_183_9",372893005.3,0.088
"HMDB41454",2,1e+05,"10_1",391.28443,1062.6,"Multiple",391.28429,0.36,"D8-Merulinic acid A","C24H38O4","390.277009704","M+H","ISgroup_10_1565_29",112944479.3,0.284
"HMDB41445",2,1e+05,"10_1",207.15015,626.4,"Multiple",207.14919,4.63,"Agrocybenine","C12H18N2O","206.141913208","M+H","ISgroup_10_754_16",2444599978.7,0.15
"HMDB41414",2,1e+05,"5_1",351.1343,670,"Multiple",351.13576,4.16,"Chloromarmin","C19H23ClO4","350.128486931","M+H","ISgroup_5_811_14",152774257.7,0.134
"HMDB41407",2,1e+05,"4_1",415.2127,886.3,"Multiple",415.21151,2.87,"Clausarinol","C24H30O6","414.204238692","M+H","ISgroup_4_816_22",36435465.6,0.213
"HMDB41370",2,1e+05,"5_1",351.1343,670,"Multiple",351.13393,1.05,"Na-p-Hydroxycoumaroyltryptophan","C20H18N2O4","350.126657074","M+H","ISgroup_5_811_14",152774257.7,0.134
"HMDB41337",2,1e+05,"5_1",326.14632,892.1,"Multiple",326.14456,5.4,"2-O-alpha-D-Galactopyranosyl-1-deoxynojirimycin","C12H23NO9","325.137281339","M+H","ISgroup_5_1187_15",453622299.8,0.146
"HMDB41220",2,1e+05,"5_1",315.25297,886.3,"Multiple",315.25299,0.06,"Dibutyl decanedioate","C18H34O4","314.245709576","M+H","ISgroup_5_1178_26",12032470.7,0.253
"HMDB41193",2,1e+05,"5_1",369.16807,687.7,"Multiple",369.16965,4.28,"Kanzonol P","C22H24O5","368.162373878","M+H","ISgroup_5_844_17",33707772.4,0.168
"HMDB41122",2,1e+05,"10_1",191.06836,378.1,"Multiple",191.07027,10,"(S)-23-Dihydro-5-hydroxy-2-methyl-14-naphthoquinone","C11H10O3","190.062994186","M+H","ISgroup_10_278_7",17287431.9,0.068
"HMDB41103",2,1e+05,"10_1",381.29764,1081.7,"Multiple",381.29994,6.03,"Persin","C23H40O4","380.292659768","M+H","ISgroup_10_1602_30",129596362.2,0.298
"HMDB41036",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"Sugeonol","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB41007",2,1e+05,"2_1",193.08755,337.8,"Multiple",193.08592,8.44,"1-Hydroxychavicol acetate","C11H12O3","192.07864425","M+H","ISgroup_2_183_9",372893005.3,0.088
"HMDB40999",2,1e+05,"2_1",447.34665,1134.2,"Multiple",447.34689,0.54,"Secasterone","C28H46O4","446.33960996","M+H","ISgroup_2_1698_35",54734995.6,0.347
"HMDB40986",2,1e+05,"5_1",149.06002,865,"Multiple",149.05971,2.08,"(E)-3-(4-Hydroxyphenyl)-2-propenal","C9H8O2","148.0524295","M+H","ISgroup_5_1139_7",19920948.4,0.06
"HMDB40966",2,1e+05,"5_1",111.11715,693,"Unique",111.11683,2.88,"13-Octadiene","C8H14","110.109550448","M+H","ISgroup_5_851_12",4766286,0.117
"HMDB40956",2,1e+05,"5_1",377.23564,882.5,"Multiple",377.23225,8.99,"9alpha-(3-Methyl-2E-butenoyloxy)-4S-hydroxy-10(14)-oplopen-3-one 4-acetate","C22H32O5","376.224974134","M+H","ISgroup_5_1171_24",68665550.8,0.236
"HMDB40955",2,1e+05,"5_1",377.23564,882.5,"Multiple",377.23225,8.99,"9alpha-(Angeloyloxy)-4S-hydroxy-10(14)-oplopen-3-one 4-acetate","C22H32O5","376.224974134","M+H","ISgroup_5_1171_24",68665550.8,0.236
"HMDB40938",2,1e+05,"10_1",191.06836,378.1,"Multiple",191.07027,10,"Coixinden A","C11H10O3","190.062994186","M+H","ISgroup_10_278_7",17287431.9,0.068
"HMDB40926",2,1e+05,"9_1",275.16451,1054.8,"Multiple",275.16417,1.24,"2-Butyl-5-2-(4-hydroxy-3-methoxyphenyl)ethylfuran","C17H22O3","274.15689457","M+H","ISgroup_9_1621_17",10989430.9,0.165
"HMDB40827",2,1e+05,"11_1",639.11925,924,"Multiple",639.11919,0.09,"Scutellarein 7-glucuronosyl-(1-2)-glucuronide","C27H26O18","638.111914028","M+H","ISgroup_11_754_12",5065998,0.119
"HMDB40764",2,1e+05,"5_1",441.29803,1007.1,"Multiple",441.29994,4.33,"Bolegrevilol","C28H40O4","440.292659768","M+H","ISgroup_5_1369_30",652595531.3,0.298
"HMDB40748",2,1e+05,"5_1",441.29803,1007.1,"Multiple",441.29994,4.33,"2-Acetoxy-3-geranylgeranyl-14-dihydroxybenzene","C28H40O4","440.292659768","M+H","ISgroup_5_1369_30",652595531.3,0.298
"HMDB40731",2,1e+05,"10_1",191.06836,378.1,"Multiple",191.07027,10,"Avenalumic acid","C11H10O3","190.062994186","M+H","ISgroup_10_278_7",17287431.9,0.068
"HMDB40711",2,1e+05,"2_1",469.32858,1054.5,"Multiple",469.33124,5.67,"16beta-16-Hydroxy-3-oxo-112-oleanadien-28-oic acid","C30H44O4","468.323959896","M+H","ISgroup_2_1543_33",26603668.2,0.329
"HMDB40706",2,1e+05,"5_20",389.18419,721.3,"Multiple",389.18061,9.2,"7-Epi-12-hydroxyjasmonic acid glucoside","C18H28O9","388.173332494","M+H","ISgroup_5_901_19",70711139,0.184
"HMDB40677",2,1e+05,"5_1",613.18241,1045.7,"Multiple",613.17631,9.95,"Hydroxysafflor yellow A","C27H32O16","612.169034976","M+H","ISgroup_5_1417_19",299618142.7,0.182
"HMDB40597",2,1e+05,"5_1",266.11785,373.7,"Multiple",266.11755,1.13,"Eduline","C17H15NO2","265.110278729","M+H","ISgroup_5_253_12",9633310.5,0.118
"HMDB40559",2,1e+05,"5_1",613.18241,1045.7,"Multiple",613.17631,9.95,"Aromadendrin 37-diglucoside","C27H32O16","612.169034976","M+H","ISgroup_5_1417_19",299618142.7,0.182
"HMDB40549",2,1e+05,"5_1",119.04993,587.9,"Multiple",119.04914,6.64,"xi-23-Octadiene-57-diyn-1-ol","C8H6O","118.041864814","M+H","ISgroup_5_665_5",19537642.6,0.05
"HMDB40548",2,1e+05,"5_1",785.15902,963,"Unique",785.15597,3.88,"Degalloyltheaflavonin","C36H32O20","784.148693464","M+H","ISgroup_5_1310_16",81524711.7,0.159
"HMDB40446",2,1e+05,"2_1",193.08755,337.8,"Multiple",193.08592,8.44,"Benzyl acetoacetate","C11H12O3","192.07864425","M+H","ISgroup_2_183_9",372893005.3,0.088
"HMDB40424",2,1e+05,"5_1",221.11743,682.5,"Multiple",221.11722,0.95,"Ethyl 2-benzylacetoacetate","C13H16O3","220.109944378","M+H","ISgroup_5_834_12",25917290.4,0.117
"HMDB40407",2,1e+05,"5_1",237.07776,620.1,"Multiple",237.07575,8.48,"(S)-23-Dihydro-7-hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid","C12H12O5","236.068473494","M+H","ISgroup_5_726_8",91657037.3,0.078
"HMDB40350",2,1e+05,"4_1",379.15145,768.6,"Multiple",379.154,6.73,"611-Dihydroxy-3-methyl-3-(4-methyl-3-pentenyl)-3H7H-pyrano23-cxanthen-7-one","C23H22O5","378.146723814","M+H","ISgroup_4_589_16",30526879.1,0.151
"HMDB40326",2,1e+05,"10_1",191.06836,378.1,"Multiple",191.07027,10,"7-Hydroxy-25-dimethyl-4H-1-benzopyran-4-one","C11H10O3","190.062994186","M+H","ISgroup_10_278_7",17287431.9,0.068
"HMDB40270",2,1e+05,"10_1",371.31553,1116.1,"Multiple",371.31559,0.16,"Diethylhexyl adipate","C22H42O4","370.308309832","M+H","ISgroup_10_1669_32",55628787.6,0.316
"HMDB40268",2,1e+05,"2_1",193.08755,337.8,"Multiple",193.08592,8.44,"Ethyl 3-oxo-3-phenylpropanoate","C11H12O3","192.07864425","M+H","ISgroup_2_183_9",372893005.3,0.088
"HMDB40262",2,1e+05,"10_1",223.0637,276.9,"Multiple",223.06434,2.87,"246-Triethyl-135-trithiane","C9H18S3","222.057062646","M+H","ISgroup_10_92_7",67620709.6,0.064
"HMDB40262",2,1e+05,"5_1",223.06401,720.3,"Multiple",223.06434,1.48,"246-Triethyl-135-trithiane","C9H18S3","222.057062646","M+H","ISgroup_5_900_7",2055421729,0.064
"HMDB40243",2,1e+05,"10_1",223.0637,276.9,"Multiple",223.06434,2.87,"224466-Hexamethyl-135-trithiane","C9H18S3","222.057062646","M+H","ISgroup_10_92_7",67620709.6,0.064
"HMDB40243",2,1e+05,"5_1",223.06401,720.3,"Multiple",223.06434,1.48,"224466-Hexamethyl-135-trithiane","C9H18S3","222.057062646","M+H","ISgroup_5_900_7",2055421729,0.064
"HMDB40233",2,1e+05,"2_1",209.15471,781.5,"Multiple",209.15361,5.26,"235688a-Hexahydro-2558a-tetramethyl-7H-1-benzopyran-7-one","C13H20O2","208.146329884","M+H","ISgroup_2_1034_16",36214625.7,0.155
"HMDB40232",2,1e+05,"10_1",211.17037,625.7,"Multiple",211.16926,5.26,"Octahydro-2558a-tetramethyl-7H-1-benzopyran-7-one","C13H22O2","210.161979948","M+H","ISgroup_10_754_18",362431364.1,0.17
"HMDB40125",2,1e+05,"5_1",613.18241,1045.7,"Multiple",613.17631,9.95,"Carthamidin 67-diglucoside","C27H32O16","612.169034976","M+H","ISgroup_5_1417_19",299618142.7,0.182
"HMDB40026",2,1e+05,"9_1",164.10744,478.9,"Multiple",164.10699,2.74,"23-Dihydro-56-dimethyl-1H-pyrrolizine-7-carboxaldehyde","C10H13NO","163.099714043","M+H","ISgroup_9_483_11",10896604,0.107
"HMDB40025",2,1e+05,"9_1",164.10744,478.9,"Multiple",164.10699,2.74,"1-(23-Dihydro-5-methyl-1H-pyrrolizin-7-yl)ethanone","C10H13NO","163.099714043","M+H","ISgroup_9_483_11",10896604,0.107
"HMDB40024",2,1e+05,"9_1",164.10744,478.9,"Multiple",164.10699,2.74,"5-Acetyl-23-dihydro-6-methyl-1H-pyrrolizine","C10H13NO","163.099714043","M+H","ISgroup_9_483_11",10896604,0.107
"HMDB40023",2,1e+05,"9_1",164.10744,478.9,"Multiple",164.10699,2.74,"5-Acetyl-23-dihydro-7-methyl-1H-pyrrolizine","C10H13NO","163.099714043","M+H","ISgroup_9_483_11",10896604,0.107
"HMDB40022",2,1e+05,"9_1",164.10744,478.9,"Multiple",164.10699,2.74,"23-Dihydro-5-propanoyl-1H-pyrrolizine","C10H13NO","163.099714043","M+H","ISgroup_9_483_11",10896604,0.107
"HMDB40015",2,1e+05,"9_1",164.10744,478.9,"Multiple",164.10699,2.74,"2345-Tetrahydro-6-(5-methyl-2-furanyl)pyridine","C10H13NO","163.099714043","M+H","ISgroup_9_483_11",10896604,0.107
"HMDB39964",2,1e+05,"5_20",389.18419,721.3,"Multiple",389.18061,9.2,"beta-D-Glucopyranosyl-11-hydroxyjasmonic acid","C18H28O9","388.173332494","M+H","ISgroup_5_901_19",70711139,0.184
"HMDB39921",2,1e+05,"5_1",603.13381,726.8,"Unique",603.13445,1.06,"Eriodictyol 7-(6-galloylglucoside)","C28H26O15","602.127170162","M+H","ISgroup_5_907_14",1075091.4,0.134
"HMDB39661",2,1e+05,"9_1",164.10744,478.9,"Multiple",164.10699,2.74,"2367-Tetrahydro-7-methylcyclopentbazepin-8(1H)-one","C10H13NO","163.099714043","M+H","ISgroup_9_483_11",10896604,0.107
"HMDB39621",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"beta-Santalic acid","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB39615",2,1e+05,"2_1",469.32858,1054.5,"Multiple",469.33124,5.67,"Colupone","C30H44O4","468.323959896","M+H","ISgroup_2_1543_33",26603668.2,0.329
"HMDB39613",2,1e+05,"10_1",331.1891,968.5,"Multiple",331.19039,3.9,"3344-Tetrahydroxy-55-diisopropyl-22-dimethylbiphenyl","C20H26O4","330.18310932","M+H","ISgroup_10_1389_19",15100576.7,0.189
"HMDB39588",2,1e+05,"5_1",245.18822,271.6,"Multiple",245.18999,7.22,"Panaxynol","C17H24O","244.18271539","M+H","ISgroup_5_62_19",17315452.9,0.188
"HMDB39583",2,1e+05,"5_1",126.09246,535.1,"Multiple",126.09134,8.88,"2-Ethyl-5-imino-1-cyclopenten-1-ol","C7H11NO","125.084063979","M+H","ISgroup_5_562_10",12570179.4,0.092
"HMDB39441",2,1e+05,"5_1",337.23515,858.6,"Multiple",337.23734,6.49,"ent-1(10)-Halimene-1519-dioic acid","C20H32O4","336.230059512","M+H","ISgroup_5_1129_24",29401790.1,0.235
"HMDB39403",2,1e+05,"10_1",381.29764,1081.7,"Multiple",381.29994,6.03,"2-Hydroxy-4-oxo-512-heneicosadien-1-yl acetate","C23H40O4","380.292659768","M+H","ISgroup_10_1602_30",129596362.2,0.298
"HMDB39380",2,1e+05,"4_1",415.2127,886.3,"Multiple",415.21151,2.87,"Armillarin","C24H30O6","414.204238692","M+H","ISgroup_4_816_22",36435465.6,0.213
"HMDB39359",2,1e+05,"10_1",191.06836,378.1,"Multiple",191.07027,10,"Methyl (ZZ)-10-hydroxy-28-decadiene-46-diynoate","C11H10O3","190.062994186","M+H","ISgroup_10_278_7",17287431.9,0.068
"HMDB39317",2,1e+05,"5_1",419.31607,991.3,"Multiple",419.31559,1.14,"Hexadecyl ferulate","C26H42O4","418.308309832","M+H","ISgroup_5_1353_32",1689497654.6,0.316
"HMDB39267",2,1e+05,"11_1",639.11925,924,"Multiple",639.11919,0.09,"Chesnatin","C27H26O18","638.111914028","M+H","ISgroup_11_754_12",5065998,0.119
"HMDB39266",2,1e+05,"11_1",639.11925,924,"Multiple",639.11919,0.09,"Isochesnatin","C27H26O18","638.111914028","M+H","ISgroup_11_754_12",5065998,0.119
"HMDB39171",2,1e+05,"5_1",337.23515,858.6,"Multiple",337.23734,6.49,"9alpha-(3-Methylbutanoyloxy)-4S-hydroxy-10(14)-oplopen-3-one","C20H32O4","336.230059512","M+H","ISgroup_5_1129_24",29401790.1,0.235
"HMDB39057",2,1e+05,"5_1",369.16807,687.7,"Multiple",369.16965,4.28,"9-Hydroxy-4-(37-dimethyl-26-octadienyloxy)-psoralen","C22H24O5","368.162373878","M+H","ISgroup_5_844_17",33707772.4,0.168
"HMDB38998",2,1e+05,"5_1",119.04993,587.9,"Multiple",119.04914,6.64,"357-Octatriyn-1-ol","C8H6O","118.041864814","M+H","ISgroup_5_665_5",19537642.6,0.05
"HMDB38939",2,1e+05,"9_1",275.16451,1054.8,"Multiple",275.16417,1.24,"Panaquinquecol 4","C17H22O3","274.15689457","M+H","ISgroup_9_1621_17",10989430.9,0.165
"HMDB38914",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"46-Decadiyn-1-ol isovalerate","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB38826",2,1e+05,"8_1",832.24282,1120,"Unique",832.24204,0.94,"Alatanin 2","C39H43O20","831.234768816","M+H","ISgroup_8_1_25",960486090.5,0.243
"HMDB38815",2,1e+05,"5_1",369.16807,687.7,"Multiple",369.16965,4.28,"24-Dihydroxy-46-dimethoxy-3-prenylchalcone","C22H24O5","368.162373878","M+H","ISgroup_5_844_17",33707772.4,0.168
"HMDB38797",2,1e+05,"2_1",469.32858,1054.5,"Multiple",469.33124,5.67,"Uralenolide","C30H44O4","468.323959896","M+H","ISgroup_2_1543_33",26603668.2,0.329
"HMDB38796",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"27(14)-Illudadiene-1015-diol","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB38795",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"79-Illudadiene-314-diol","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB38790",2,1e+05,"2_1",161.09644,707.9,"Multiple",161.09609,2.17,"3-Phenyl-4-pentenal","C11H12O","160.088815006","M+H","ISgroup_2_900_10",91105070.5,0.096
"HMDB38714",2,1e+05,"11_1",479.17837,948,"Multiple",479.17592,5.11,"Kelampayoside A","C20H30O13","478.168641046","M+H","ISgroup_11_793_18",22435526.7,0.178
"HMDB38698",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"xi-2-Hydroxy-135-bisabolatrien-9-one","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB38677",2,1e+05,"10_1",259.05787,490.2,"Multiple",259.0601,8.61,"Alfafuran","C14H10O5","258.05282343","M+H","ISgroup_10_489_6",27085415.5,0.058
"HMDB38529",2,1e+05,"2_1",209.15471,781.5,"Multiple",209.15361,5.26,"59:69-Diepoxy-4-megastigmene","C13H20O2","208.146329884","M+H","ISgroup_2_1034_16",36214625.7,0.155
"HMDB38385",2,1e+05,"10_1",483.02002,722,"Unique",483.023,6.17,"Lentinic acid","C12H22N2O10S4","482.015727694","M+H","ISgroup_10_933_3",3013493.5,0.02
"HMDB38325",2,1e+05,"5_1",301.14093,805.9,"Multiple",301.14344,8.33,"Verimol C","C18H20O4","300.136159128","M+H","ISgroup_5_1033_15",17101225.4,0.141
"HMDB38295",2,1e+05,"5_1",799.17485,1003.5,"Unique",799.17162,4.04,"Apigenin 4-feruloyl-(-2)-glucuronyl-(1-2)-glucuronide","C37H34O20","798.164343528","M+H","ISgroup_5_1365_18",28294183.9,0.175
"HMDB38291",2,1e+05,"10_1",211.17037,625.7,"Multiple",211.16926,5.26,"2-Propenyl cyclohexanebutanoate","C13H22O2","210.161979948","M+H","ISgroup_10_754_18",362431364.1,0.17
"HMDB38289",2,1e+05,"5_1",126.09246,535.1,"Multiple",126.09134,8.88,"5-Butyloxazole","C7H11NO","125.084063979","M+H","ISgroup_5_562_10",12570179.4,0.092
"HMDB38288",2,1e+05,"5_1",126.09246,535.1,"Multiple",126.09134,8.88,"4-Butyloxazole","C7H11NO","125.084063979","M+H","ISgroup_5_562_10",12570179.4,0.092
"HMDB38258",2,1e+05,"10_1",211.17037,625.7,"Multiple",211.16926,5.26,"Neryl propionate","C13H22O2","210.161979948","M+H","ISgroup_10_754_18",362431364.1,0.17
"HMDB38249",2,1e+05,"10_1",211.17037,625.7,"Multiple",211.16926,5.26,"Isobornyl propionate","C13H22O2","210.161979948","M+H","ISgroup_10_754_18",362431364.1,0.17
"HMDB38198",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"37-Bisaboladiene-28-dione","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB38190",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"Rishitinol","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB38090",2,1e+05,"3_1",610.18587,1046,"Multiple",610.18922,5.49,"Peonidin 3-rhamnoside 5-glucoside","C28H33O15","609.181945386","M+H","ISgroup_3_1387_19",2019628892.5,0.186
"HMDB38047",2,1e+05,"2_1",209.15471,781.5,"Multiple",209.15361,5.26,"Carvyl propionate","C13H20O2","208.146329884","M+H","ISgroup_2_1034_16",36214625.7,0.155
"HMDB37988",2,1e+05,"5_1",758.22397,1093.2,"Multiple",758.22639,3.19,"Cyanidin 3-(2G-glucosylrutinoside)","C33H41O20","757.219118752","M+H","ISgroup_5_1502_23",1072974028.3,0.224
"HMDB37877",2,1e+05,"2_1",193.08755,337.8,"Multiple",193.08592,8.44,"Eugenyl formate","C11H12O3","192.07864425","M+H","ISgroup_2_183_9",372893005.3,0.088
"HMDB37867",2,1e+05,"5_1",126.09246,535.1,"Multiple",126.09134,8.88,"5-Ethyl-24-dimethyloxazole","C7H11NO","125.084063979","M+H","ISgroup_5_562_10",12570179.4,0.092
"HMDB37866",2,1e+05,"5_1",126.09246,535.1,"Multiple",126.09134,8.88,"4-Ethyl-25-dimethyloxazole","C7H11NO","125.084063979","M+H","ISgroup_5_562_10",12570179.4,0.092
"HMDB37865",2,1e+05,"5_1",126.09246,535.1,"Multiple",126.09134,8.88,"2-Ethyl-45-dimethyloxazole","C7H11NO","125.084063979","M+H","ISgroup_5_562_10",12570179.4,0.092
"HMDB37861",2,1e+05,"5_1",126.09246,535.1,"Multiple",126.09134,8.88,"5-Methyl-2-propyloxazole","C7H11NO","125.084063979","M+H","ISgroup_5_562_10",12570179.4,0.092
"HMDB37860",2,1e+05,"5_1",126.09246,535.1,"Multiple",126.09134,8.88,"2-Methyl-5-propyloxazole","C7H11NO","125.084063979","M+H","ISgroup_5_562_10",12570179.4,0.092
"HMDB37854",2,1e+05,"5_1",126.09246,535.1,"Multiple",126.09134,8.88,"4-Methyl-2-propyloxazole","C7H11NO","125.084063979","M+H","ISgroup_5_562_10",12570179.4,0.092
"HMDB37853",2,1e+05,"5_1",126.09246,535.1,"Multiple",126.09134,8.88,"2-Methyl-4-propyloxazole","C7H11NO","125.084063979","M+H","ISgroup_5_562_10",12570179.4,0.092
"HMDB37843",2,1e+05,"10_1",282.11937,380.4,"Multiple",282.11834,3.65,"N-(1-Deoxy-1-fructosyl)threonine","C10H19NO8","281.111066589","M+H","ISgroup_10_279_12",42054546.4,0.119
"HMDB37798",2,1e+05,"9_1",289.23681,766.9,"Unique",289.23734,1.83,"(S)-1016-Dihydroxyhexadecanoic acid","C16H32O4","288.230059512","M+H","ISgroup_9_1053_24",5956196.2,0.237
"HMDB37776",2,1e+05,"2_1",209.15471,781.5,"Multiple",209.15361,5.26,"59:69-Diepoxy-3-megastigmene","C13H20O2","208.146329884","M+H","ISgroup_2_1034_16",36214625.7,0.155
"HMDB37739",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"7-(13-Cyclohexadienyl)-5-hydroxy-26-dimethyl-2-hepten-4-one","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB37719",2,1e+05,"11_1",249.1852,852.5,"Multiple",249.18491,1.16,"2-Phenylethyl octanoate","C16H24O2","248.177630012","M+H","ISgroup_11_616_19",436734624.7,0.185
"HMDB37713",2,1e+05,"11_1",249.1852,852.5,"Multiple",249.18491,1.16,"Octyl phenylacetate","C16H24O2","248.177630012","M+H","ISgroup_11_616_19",436734624.7,0.185
"HMDB37710",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"4-Methylphenyl octanoate","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB37698",2,1e+05,"7_1",194.11787,331.7,"Multiple",194.11755,1.65,"Ethyl N-ethylanthranilate","C11H15NO2","193.110278729","M+H","ISgroup_7_139_12",208820429.9,0.118
"HMDB37683",2,1e+05,"4_1",237.11298,774.2,"Multiple",237.11213,3.58,"Ethyl vanillin isobutyrate","C13H16O4","236.104859","M+H","ISgroup_4_598_12",68390529.9,0.113
"HMDB37667",2,1e+05,"5_1",229.08627,738.6,"Multiple",229.08592,1.53,"o-Tolyl salicylate","C14H12O3","228.07864425","M+H","ISgroup_5_921_9",258002946.6,0.086
"HMDB37640",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"2-Methyl-4-phenyl-2-butyl 2-methylpropanoate","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB37594",2,1e+05,"5_1",266.11785,373.7,"Multiple",266.11755,1.13,"Eduleine","C17H15NO2","265.110278729","M+H","ISgroup_5_253_12",9633310.5,0.118
"HMDB37492",2,1e+05,"5_1",221.11743,682.5,"Multiple",221.11722,0.95,"Ethyl methyl-p-tolylglycidate","C13H16O3","220.109944378","M+H","ISgroup_5_834_12",25917290.4,0.117
"HMDB37391",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"p-Hydroxynonanophenone","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB37390",2,1e+05,"10_1",211.17037,625.7,"Multiple",211.16926,5.26,"Tsibulin 1","C13H22O2","210.161979948","M+H","ISgroup_10_754_18",362431364.1,0.17
"HMDB37307",2,1e+05,"10_1",211.17037,625.7,"Multiple",211.16926,5.26,"Propyl 24-decadienoate","C13H22O2","210.161979948","M+H","ISgroup_10_754_18",362431364.1,0.17
"HMDB37286",2,1e+05,"10_1",211.17037,625.7,"Multiple",211.16926,5.26,"Citral propylene glycol acetal","C13H22O2","210.161979948","M+H","ISgroup_10_754_18",362431364.1,0.17
"HMDB37277",2,1e+05,"2_1",193.08755,337.8,"Multiple",193.08592,8.44,"Isoeugenol formate","C11H12O3","192.07864425","M+H","ISgroup_2_183_9",372893005.3,0.088
"HMDB37246",2,1e+05,"5_1",301.14093,805.9,"Multiple",301.14344,8.33,"Myrigalon B","C18H20O4","300.136159128","M+H","ISgroup_5_1033_15",17101225.4,0.141
"HMDB37245",2,1e+05,"5_1",301.14093,805.9,"Multiple",301.14344,8.33,"Myrigalone A","C18H20O4","300.136159128","M+H","ISgroup_5_1033_15",17101225.4,0.141
"HMDB37039",2,1e+05,"4_1",415.2127,886.3,"Multiple",415.21151,2.87,"4-O-Methylmelleolide","C24H30O6","414.204238692","M+H","ISgroup_4_816_22",36435465.6,0.213
"HMDB37038",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"Cyclodehydroisolubimin","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB36906",2,1e+05,"7_1",194.11787,331.7,"Multiple",194.11755,1.65,"Butyl 2-aminobenzoate","C11H15NO2","193.110278729","M+H","ISgroup_7_139_12",208820429.9,0.118
"HMDB36824",2,1e+05,"2_1",209.15471,781.5,"Multiple",209.15361,5.26,"Acetal R","C13H20O2","208.146329884","M+H","ISgroup_2_1034_16",36214625.7,0.155
"HMDB36821",2,1e+05,"2_1",209.15471,781.5,"Multiple",209.15361,5.26,"3-Hydroxy-beta-ionone","C13H20O2","208.146329884","M+H","ISgroup_2_1034_16",36214625.7,0.155
"HMDB36755",2,1e+05,"10_1",331.1891,968.5,"Multiple",331.19039,3.9,"Yucalexin P8","C20H26O4","330.18310932","M+H","ISgroup_10_1389_19",15100576.7,0.189
"HMDB36753",2,1e+05,"10_1",331.1891,968.5,"Multiple",331.19039,3.9,"Yucalexin P15","C20H26O4","330.18310932","M+H","ISgroup_10_1389_19",15100576.7,0.189
"HMDB36749",2,1e+05,"10_1",331.1891,968.5,"Multiple",331.19039,3.9,"Momilactone B","C20H26O4","330.18310932","M+H","ISgroup_10_1389_19",15100576.7,0.189
"HMDB36686",2,1e+05,"2_1",209.15471,781.5,"Multiple",209.15361,5.26,"2267-Tetramethylbicyclo430nona-1(9)4-diene-78-diol","C13H20O2","208.146329884","M+H","ISgroup_2_1034_16",36214625.7,0.155
"HMDB36647",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"Isocurcumenol","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB36640",2,1e+05,"11_1",249.1852,852.5,"Multiple",249.18491,1.16,"Furanofukinin","C16H24O2","248.177630012","M+H","ISgroup_11_616_19",436734624.7,0.185
"HMDB36626",2,1e+05,"5_1",149.06002,865,"Multiple",149.05971,2.08,"34-Dihydro-2H-1-benzopyran-2-one","C9H8O2","148.0524295","M+H","ISgroup_5_1139_7",19920948.4,0.06
"HMDB36466",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"Zerumbone oxide","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB36449",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"(1alpha4beta5beta)-4-Hydroxy-7(11)10(14)-guaiadien-8-one","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB36427",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"Procurcumenol","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB36392",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"(Z)-alpha-Bergamotenoic acid","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB36390",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"3-Phenylpropyl hexanoate","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB36380",2,1e+05,"5_1",159.06547,365.9,"Multiple",159.06518,1.82,"xi-23-Dihydro-35-dihydroxy-6-methyl-4H-pyran-4-one","C7H10O4","158.057908808","M+H","ISgroup_5_238_7",22151998.4,0.065
"HMDB36375",2,1e+05,"10_1",239.05867,723.3,"Multiple",239.05925,2.43,"2-Propenyl 1-(propylsulfinyl)propyl disulfide","C9H18OS3","238.051977268","M+H","ISgroup_10_934_6",31576397.1,0.059
"HMDB36370",2,1e+05,"10_1",239.05867,723.3,"Multiple",239.05925,2.43,"1-(2-Propenylsulfinyl)propyl propyl disulfide","C9H18OS3","238.051977268","M+H","ISgroup_10_934_6",31576397.1,0.059
"HMDB36221",2,1e+05,"11_1",249.1852,852.5,"Multiple",249.18491,1.16,"2-(Dimethoxymethyl)-1-heptenylbenzene","C16H24O2","248.177630012","M+H","ISgroup_11_616_19",436734624.7,0.185
"HMDB36171",2,1e+05,"2_1",177.12778,722.3,"Multiple",177.12739,2.2,"3-(4-Isopropylphenyl)propanal","C12H16O","176.120115134","M+H","ISgroup_2_927_13",46516054.5,0.128
"HMDB36074",2,1e+05,"5_1",198.11108,524.4,"Multiple",198.11247,7.02,"Tenuazonic acid","C10H15NO3","197.105193351","M+H","ISgroup_5_543_12",7900657.4,0.111
"HMDB36035",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"Marasmene","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB36021",2,1e+05,"2_1",177.12778,722.3,"Multiple",177.12739,2.2,"Rhubafuran","C12H16O","176.120115134","M+H","ISgroup_2_927_13",46516054.5,0.128
"HMDB35935",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"Dihydroisoalantolactone","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB35894",2,1e+05,"2_1",193.08755,337.8,"Multiple",193.08592,8.44,"(Z)-4-Methoxy-6-(1-propenyl)-13-benzodioxole","C11H12O3","192.07864425","M+H","ISgroup_2_183_9",372893005.3,0.088
"HMDB35889",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"Germacrone 45-epoxide","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB35886",2,1e+05,"2_1",469.32858,1054.5,"Multiple",469.33124,5.67,"Isoglabrolide","C30H44O4","468.323959896","M+H","ISgroup_2_1543_33",26603668.2,0.329
"HMDB35873",2,1e+05,"2_1",193.08755,337.8,"Multiple",193.08592,8.44,"Myristicin","C11H12O3","192.07864425","M+H","ISgroup_2_183_9",372893005.3,0.088
"HMDB35869",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"alpha-Rotunol","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB35794",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"beta-Costic acid","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB35639",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"Petasalbin","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB35516",2,1e+05,"2_1",360.32454,986.1,"Unique",360.32609,4.3,"5-Decanoyl-2-nonylpyridine","C24H41NO","359.318814939","M+H","ISgroup_2_1428_33",426151315.9,0.325
"HMDB35471",2,1e+05,"5_1",698.66134,984.9,"Unique",698.6657,6.24,"N-(2R-Hydroxypentacosanoyl)-2S-amino-13S4R-octadecanetriol","C43H87NO5","697.658424899","M+H","ISgroup_5_1343_67",15161115.9,0.661
"HMDB35434",2,1e+05,"2_1",469.32858,1054.5,"Multiple",469.33124,5.67,"Isomasticadienonalic acid","C30H44O4","468.323959896","M+H","ISgroup_2_1543_33",26603668.2,0.329
"HMDB35413",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"(4alpha5alpha)-11-Eremophilene-29-dione","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB35408",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"110-Epoxygermacrone","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB35407",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"Dehydrocurdione","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB35405",2,1e+05,"5_1",387.18108,688,"Multiple",387.18021,2.25,"Gingerenone B","C22H26O6","386.172938564","M+H","ISgroup_5_844_19",2324363950,0.181
"HMDB35404",2,1e+05,"5_1",387.18108,688,"Multiple",387.18021,2.25,"Isogingerenone B","C22H26O6","386.172938564","M+H","ISgroup_5_844_19",2324363950,0.181
"HMDB35374",2,1e+05,"5_1",553.39054,1033.2,"Multiple",553.38875,3.23,"Oxepahyperforin","C35H52O5","552.381474774","M+H","ISgroup_5_1402_40",458396237.8,0.391
"HMDB35275",2,1e+05,"2_1",193.08755,337.8,"Multiple",193.08592,8.44,"Isomyristicin","C11H12O3","192.07864425","M+H","ISgroup_2_183_9",372893005.3,0.088
"HMDB35243",2,1e+05,"5_1",149.06002,865,"Multiple",149.05971,2.08,"1-Phenyl-12-propanedione","C9H8O2","148.0524295","M+H","ISgroup_5_1139_7",19920948.4,0.06
"HMDB35237",2,1e+05,"5_1",553.39054,1033.2,"Multiple",553.38875,3.23,"8-Hydroxyhyperforin 81-hemiacetal","C35H52O5","552.381474774","M+H","ISgroup_5_1402_40",458396237.8,0.391
"HMDB35228",2,1e+05,"2_1",209.15471,781.5,"Multiple",209.15361,5.26,"Theaspirone A","C13H20O2","208.146329884","M+H","ISgroup_2_1034_16",36214625.7,0.155
"HMDB35207",2,1e+05,"2_1",161.09644,707.9,"Multiple",161.09609,2.17,"2-Phenyl-4-pentenal","C11H12O","160.088815006","M+H","ISgroup_2_900_10",91105070.5,0.096
"HMDB35202",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"7-Hydroxycostal","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB35191",2,1e+05,"7_1",273.12589,733.9,"Multiple",273.12337,9.23,"(2S4R)-4-(9H-Pyrido34-bindol-1-yl)-124-butanetriol","C15H16N2O3","272.116092388","M+H","ISgroup_7_942_13",9716873.9,0.126
"HMDB35095",2,1e+05,"5_1",205.08619,767.5,"Multiple",205.08592,1.32,"7-Ethoxy-4-methyl-2H-1-benzopyran-2-one","C12H12O3","204.07864425","M+H","ISgroup_5_967_9",20076081.9,0.086
"HMDB35072",2,1e+05,"7_1",194.11787,331.7,"Multiple",194.11755,1.65,"2-Methylpropyl 2-aminobenzoate","C11H15NO2","193.110278729","M+H","ISgroup_7_139_12",208820429.9,0.118
"HMDB34984",2,1e+05,"2_1",209.15471,781.5,"Multiple",209.15361,5.26,"(5R6S)-56-Epoxy-7-megastigmen-9-one","C13H20O2","208.146329884","M+H","ISgroup_2_1034_16",36214625.7,0.155
"HMDB34956",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"Oxysolavetivone","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB34883",2,1e+05,"5_1",126.09246,535.1,"Multiple",126.09134,8.88,"34-Dihydro-5-propanoyl-2H-pyrrole","C7H11NO","125.084063979","M+H","ISgroup_5_562_10",12570179.4,0.092
"HMDB34742",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"Saussurea lactone","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB34686",2,1e+05,"5_1",337.23515,858.6,"Multiple",337.23734,6.49,"(14S)-1415-Dihydroxy-8(17)13(16)-labdadien-19-oic acid","C20H32O4","336.230059512","M+H","ISgroup_5_1129_24",29401790.1,0.235
"HMDB34672",2,1e+05,"2_1",209.15471,781.5,"Multiple",209.15361,5.26,"(5alpha8beta9beta)-59-Epoxy-36-megastigmadien-8-ol","C13H20O2","208.146329884","M+H","ISgroup_2_1034_16",36214625.7,0.155
"HMDB34562",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"9-Pentadecene-1214-diyne-111-diol","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB34557",2,1e+05,"4_1",247.22707,841.2,"Unique",247.22677,1.21,"88-Diethoxy-26-dimethyl-2-octanol","C14H30O3","246.219494826","M+H","ISgroup_4_729_23",10647046.7,0.227
"HMDB34538",2,1e+05,"1_1",735.4712,667,"Unique",735.46779,4.64,"Mubenin B","C41H66O11","734.460512954","M+H","ISgroup_1_855_48",18549195.6,0.471
"HMDB34515",2,1e+05,"2_1",469.32858,1054.5,"Multiple",469.33124,5.67,"Glabrolide","C30H44O4","468.323959896","M+H","ISgroup_2_1543_33",26603668.2,0.329
"HMDB34367",2,1e+05,"5_1",279.10186,972.6,"Unique",279.10092,3.37,"N-gamma-L-Glutamyl-L-methionine","C10H18N2O5S","278.093642386","M+H","ISgroup_5_1327_11",3384490860.2,0.102
"HMDB34365",2,1e+05,"5_1",175.10605,667.3,"Multiple",175.10772,9.54,"L-Theanine","C7H14N2O3","174.100442324","M+H","ISgroup_5_809_11",12060923.8,0.106
"HMDB34349",2,1e+05,"5_1",441.29803,1007.1,"Multiple",441.29994,4.33,"Suillin","C28H40O4","440.292659768","M+H","ISgroup_5_1369_30",652595531.3,0.298
"HMDB34324",2,1e+05,"10_1",164.07278,417.3,"Multiple",164.07398,7.31,"S-Propyl-L-cysteine","C6H13NO2S","163.066699355","M+H","ISgroup_10_349_8",74844957.9,0.073
"HMDB34311",2,1e+05,"3_1",935.19442,1004,"Multiple",935.18766,7.23,"Sennoside F","C44H38O23","934.180387522","M+H","ISgroup_3_1317_20",18634124.7,0.194
"HMDB34270",2,1e+05,"5_1",229.08627,738.6,"Multiple",229.08592,1.53,"56-Dihydro-5-hydroxy-6-methyl-2H-pyran-2-one","C14H12O3","228.07864425","M+H","ISgroup_5_921_9",258002946.6,0.086
"HMDB34268",2,1e+05,"11_1",555.17623,926.4,"Unique",555.17083,9.73,"Lippioside II","C25H30O14","554.163555668","M+H","ISgroup_11_757_18",14325424.3,0.176
"HMDB34257",2,1e+05,"5_1",229.08627,738.6,"Multiple",229.08592,1.53,"Seselin","C14H12O3","228.07864425","M+H","ISgroup_5_921_9",258002946.6,0.086
"HMDB34236",2,1e+05,"10_1",132.08104,711.5,"Multiple",132.08078,1.97,"Benzenepropanenitrile","C9H9N","131.073499293","M+H","ISgroup_10_915_9",12082032.1,0.081
"HMDB34209",2,1e+05,"1_1",233.03902,412,"Unique",233.03792,4.72,"Cyclobrassinone","C11H8N2O2S","232.0306482","M+H","ISgroup_1_349_4",7500729.2,0.039
"HMDB34177",2,1e+05,"2_1",177.12778,722.3,"Multiple",177.12739,2.2,"(S)-4-(4-Methylphenyl)-2-pentanone","C12H16O","176.120115134","M+H","ISgroup_2_927_13",46516054.5,0.128
"HMDB34118",2,1e+05,"5_1",229.08627,738.6,"Multiple",229.08592,1.53,"(Z)-Resveratrol","C14H12O3","228.07864425","M+H","ISgroup_5_921_9",258002946.6,0.086
"HMDB33960",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"Curcumenol","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB33911",2,1e+05,"10_1",259.05787,490.2,"Multiple",259.0601,8.61,"568-Trihydroxy-2-methylbenzogchromen-4-one","C14H10O5","258.05282343","M+H","ISgroup_10_489_6",27085415.5,0.058
"HMDB33813",2,1e+05,"5_1",177.05475,510,"Multiple",177.05462,0.73,"3-(34-Methylenedioxyphenyl)propenal","C10H8O3","176.047344122","M+H","ISgroup_5_516_6",40920417.9,0.055
"HMDB33687",2,1e+05,"5_1",758.22397,1093.2,"Multiple",758.22639,3.19,"Pelargonidin 3-sophoroside 5-glucoside","C33H41O20","757.219118752","M+H","ISgroup_5_1502_23",1072974028.3,0.224
"HMDB33685",2,1e+05,"5_1",531.40854,1031.9,"Unique",531.4044,7.79,"alpha-Tocopherol succinate","C33H54O5","530.397124838","M+H","ISgroup_5_1402_41",3799322034.7,0.409
"HMDB33632",2,1e+05,"5_1",553.39054,1033.2,"Multiple",553.38875,3.23,"Furohyperforin","C35H52O5","552.381474774","M+H","ISgroup_5_1402_40",458396237.8,0.391
"HMDB33557",2,1e+05,"10_1",239.05867,723.3,"Multiple",239.05818,2.05,"()-6-Chlorotryptophan","C11H11ClN2O2","238.050905313","M+H","ISgroup_10_934_6",31576397.1,0.059
"HMDB33431",2,1e+05,"5_1",351.1343,670,"Multiple",351.13393,1.05,"Moschamindole","C20H18N2O4","350.126657074","M+H","ISgroup_5_811_14",152774257.7,0.134
"HMDB33303",2,1e+05,"5_1",205.08619,767.5,"Multiple",205.08592,1.32,"Anofinic acid","C12H12O3","204.07864425","M+H","ISgroup_5_967_9",20076081.9,0.086
"HMDB33253",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"Curcumenone","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB33252",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"Curcumanolide A","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB33187",2,1e+05,"5_1",179.08588,342.1,"Unique",179.08553,1.95,"212-Tetradecadiene-46810-tetrayne","C14H10","178.07825032","M+H","ISgroup_5_193_9",818452789.1,0.086
"HMDB33163",2,1e+05,"5_1",187.05172,395.1,"Multiple",187.0502,8.13,"Pyrocoll","C10H6N2O2","186.042927446","M+H","ISgroup_5_294_6",1986176.6,0.052
"HMDB33144",2,1e+05,"3_1",935.19442,1004,"Multiple",935.18766,7.23,"Sennoside E","C44H38O23","934.180387522","M+H","ISgroup_3_1317_20",18634124.7,0.194
"HMDB33096",2,1e+05,"5_1",237.07776,620.1,"Multiple",237.07575,8.48,"Apional","C12H12O5","236.068473494","M+H","ISgroup_5_726_8",91657037.3,0.078
"HMDB33090",2,1e+05,"9_1",275.16451,1054.8,"Multiple",275.16417,1.24,"6-Dehydroshogaol","C17H22O3","274.15689457","M+H","ISgroup_9_1621_17",10989430.9,0.165
"HMDB33088",2,1e+05,"10_1",259.05787,490.2,"Multiple",259.0601,8.61,"()-2-(34-Dihydroxyphenyl)-13-benzodioxole-5-carboxaldehyde","C14H10O5","258.05282343","M+H","ISgroup_10_489_6",27085415.5,0.058
"HMDB33074",2,1e+05,"10_1",239.05867,723.3,"Multiple",239.05925,2.43,"1-(1-Propenylsulfinyl)propyl propyl disulfide","C9H18OS3","238.051977268","M+H","ISgroup_10_934_6",31576397.1,0.059
"HMDB33073",2,1e+05,"10_1",239.05867,723.3,"Multiple",239.05925,2.43,"1-Propenyl 1-(propylsulfinyl)propyl disulfide","C9H18OS3","238.051977268","M+H","ISgroup_10_934_6",31576397.1,0.059
"HMDB33072",2,1e+05,"10_1",223.0637,276.9,"Multiple",223.06434,2.87,"(E)-1-Propenyl 1-(propylthio)propyl disulfide","C9H18S3","222.057062646","M+H","ISgroup_10_92_7",67620709.6,0.064
"HMDB33072",2,1e+05,"5_1",223.06401,720.3,"Multiple",223.06434,1.48,"(E)-1-Propenyl 1-(propylthio)propyl disulfide","C9H18S3","222.057062646","M+H","ISgroup_5_900_7",2055421729,0.064
"HMDB33041",2,1e+05,"10_1",223.0637,276.9,"Multiple",223.06434,2.87,"1-(1-Propenylthio)propyl propyl disulfide","C9H18S3","222.057062646","M+H","ISgroup_10_92_7",67620709.6,0.064
"HMDB33041",2,1e+05,"5_1",223.06401,720.3,"Multiple",223.06434,1.48,"1-(1-Propenylthio)propyl propyl disulfide","C9H18S3","222.057062646","M+H","ISgroup_5_900_7",2055421729,0.064
"HMDB32995",2,1e+05,"10_1",315.22154,714.8,"Unique",315.21928,7.17,"2-Undecyl-4(1H)-quinolinone N-oxide","C20H28NO2","314.212004145","M+H","ISgroup_10_919_23",24925540,0.222
"HMDB32991",2,1e+05,"10_1",191.06836,378.1,"Multiple",191.07027,10,"7-Methoxy-6-methyl-2H-1-benzopyran-2-one","C11H10O3","190.062994186","M+H","ISgroup_10_278_7",17287431.9,0.068
"HMDB32990",2,1e+05,"5_1",177.05475,510,"Multiple",177.05462,0.73,"7-Hydroxy-6-methyl-2H-1-benzopyran-2-one","C10H8O3","176.047344122","M+H","ISgroup_5_516_6",40920417.9,0.055
"HMDB32947",2,1e+05,"5_1",149.06002,865,"Multiple",149.05971,2.08,"Di-2-furanylmethane","C9H8O2","148.0524295","M+H","ISgroup_5_1139_7",19920948.4,0.06
"HMDB32929",2,1e+05,"5_1",119.04993,587.9,"Multiple",119.04914,6.64,"Benzofuran","C8H6O","118.041864814","M+H","ISgroup_5_665_5",19537642.6,0.05
"HMDB32883",2,1e+05,"5_1",177.05475,510,"Multiple",177.05462,0.73,"145-Naphthalenetriol","C10H8O3","176.047344122","M+H","ISgroup_5_516_6",40920417.9,0.055
"HMDB32875",2,1e+05,"2_1",447.34665,1134.2,"Multiple",447.34689,0.54,"359-Trihydroxyergost-7-en-6-one","C28H46O4","446.33960996","M+H","ISgroup_2_1698_35",54734995.6,0.347
"HMDB32837",2,1e+05,"2_1",469.32858,1054.5,"Multiple",469.33124,5.67,"Ganoderic acid DM","C30H44O4","468.323959896","M+H","ISgroup_2_1543_33",26603668.2,0.329
"HMDB32735",2,1e+05,"10_1",381.29764,1081.7,"Multiple",381.29994,6.03,"Isopersin","C23H40O4","380.292659768","M+H","ISgroup_10_1602_30",129596362.2,0.298
"HMDB32697",2,1e+05,"9_1",275.16451,1054.8,"Multiple",275.16417,1.24,"1b-Furanoeudesm-4(15)-en-1-ol acetate","C17H22O3","274.15689457","M+H","ISgroup_9_1621_17",10989430.9,0.165
"HMDB32644",2,1e+05,"1_1",263.05644,698.4,"Unique",263.05501,5.44,"Maclurin","C13H10O6","262.047738052","M+H","ISgroup_1_916_6",401867290,0.056
"HMDB32591",2,1e+05,"2_1",193.08755,337.8,"Multiple",193.08592,8.44,"Dehydrozingerone","C11H12O3","192.07864425","M+H","ISgroup_2_183_9",372893005.3,0.088
"HMDB32589",2,1e+05,"5_1",221.11743,682.5,"Multiple",221.11722,0.95,"1-(5-Acetyl-2-hydroxyphenyl)-3-methyl-1-butanone","C13H16O3","220.109944378","M+H","ISgroup_5_834_12",25917290.4,0.117
"HMDB32304",2,1e+05,"4_1",133.10439,1055.7,"Multiple",133.10455,1.2,"Heptane-1-thiol","C7H16S","132.097271202","M+H","ISgroup_4_1152_11",7496614.4,0.104
"HMDB32303",2,1e+05,"4_1",133.10439,1055.7,"Multiple",133.10455,1.2,"2-Heptanethiol","C7H16S","132.097271202","M+H","ISgroup_4_1152_11",7496614.4,0.104
"HMDB32228",2,1e+05,"11_1",249.1852,852.5,"Multiple",249.18491,1.16,"Dimethylbenzyl carbinyl hexanoate","C16H24O2","248.177630012","M+H","ISgroup_11_616_19",436734624.7,0.185
"HMDB32226",2,1e+05,"5_1",372.18371,972.6,"Unique",372.18055,8.49,"N-2-(34-Dimethoxyphenyl)ethyl-34-dimethoxycinnamic acid amide","C21H25NO5","371.173272915","M+H","ISgroup_5_1327_19",4538727.7,0.184
"HMDB32217",2,1e+05,"5_1",229.08627,738.6,"Multiple",229.08592,1.53,"24-Difurfurylfuran","C14H12O3","228.07864425","M+H","ISgroup_5_921_9",258002946.6,0.086
"HMDB32178",2,1e+05,"2_1",159.1171,750.4,"Unique",159.11683,1.7,"Butadiene-styrene rubber","C12H14","158.109550448","M+H","ISgroup_2_981_12",11618335.8,0.117
"HMDB32134",2,1e+05,"11_1",479.17837,948,"Multiple",479.17592,5.11,"Gentiobiosyl 2-methyl-6-oxo-2E4E-heptadienoate","C20H30O13","478.168641046","M+H","ISgroup_11_793_18",22435526.7,0.178
"HMDB32123",2,1e+05,"2_1",447.34665,1134.2,"Multiple",447.34689,0.54,"(3beta5alpha6alpha9alpha22E24R)-Ergosta-722-diene-3569-tetrol","C28H46O4","446.33960996","M+H","ISgroup_2_1698_35",54734995.6,0.347
"HMDB32107",2,1e+05,"2_1",447.34665,1134.2,"Multiple",447.34689,0.54,"(3beta5alpha6beta7alpha22E24R)-Ergosta-822-diene-3567-tetrol","C28H46O4","446.33960996","M+H","ISgroup_2_1698_35",54734995.6,0.347
"HMDB32098",2,1e+05,"10_1",211.17037,625.7,"Multiple",211.16926,5.26,"Cepanone","C13H22O2","210.161979948","M+H","ISgroup_10_754_18",362431364.1,0.17
"HMDB32081",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"410-Longipinanedione","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB32066",2,1e+05,"2_1",213.10252,607.6,"Multiple",213.10224,1.31,"Carbanilide","C13H12N2O","212.094963016","M+H","ISgroup_2_714_11",53824153.9,0.103
"HMDB32052",2,1e+05,"10_1",211.17037,625.7,"Multiple",211.16926,5.26,"alpha-Terpineol propanoate","C13H22O2","210.161979948","M+H","ISgroup_10_754_18",362431364.1,0.17
"HMDB31998",2,1e+05,"2_1",342.17008,824.2,"Multiple",342.16998,0.29,"Peroxysimulenoline","C20H23NO4","341.162708229","M+H","ISgroup_2_1117_18",190507444.7,0.17
"HMDB31898",2,1e+05,"10_1",259.05787,490.2,"Multiple",259.0601,8.61,"Porric acid C","C14H10O5","258.05282343","M+H","ISgroup_10_489_6",27085415.5,0.058
"HMDB31869",2,1e+05,"2_1",209.15471,781.5,"Multiple",209.15361,5.26,"(SE)-Lyratol propanoate","C13H20O2","208.146329884","M+H","ISgroup_2_1034_16",36214625.7,0.155
"HMDB31867",2,1e+05,"5_1",245.18822,271.6,"Multiple",245.18999,7.22,"4-Acetyl-6-tert-butyl-11-dimethylindane","C17H24O","244.18271539","M+H","ISgroup_5_62_19",17315452.9,0.188
"HMDB31797",2,1e+05,"7_1",194.11787,331.7,"Multiple",194.11755,1.65,"2-Isopropylphenyl methylcarbamate","C11H15NO2","193.110278729","M+H","ISgroup_7_139_12",208820429.9,0.118
"HMDB31782",2,1e+05,"10_1",226.0908,788.1,"Unique",226.08963,5.17,"Ethiofencarb","C11H15NO2S","225.082349419","M+H","ISgroup_10_1039_10",404768166,0.091
"HMDB31766",2,1e+05,"5_1",270.12548,734.7,"Unique",270.12553,0.19,"Alachlor","C14H20ClNO2","269.118256596","M+H","ISgroup_5_917_13",293320338,0.125
"HMDB31760",2,1e+05,"10_1",259.05787,490.2,"Multiple",259.0601,8.61,"Gentisin","C14H10O5","258.05282343","M+H","ISgroup_10_489_6",27085415.5,0.058
"HMDB31725",2,1e+05,"5_1",149.06002,865,"Multiple",149.05971,2.08,"(E)-3-(2-Hydroxyphenyl)-2-propenal","C9H8O2","148.0524295","M+H","ISgroup_5_1139_7",19920948.4,0.06
"HMDB31679",2,1e+05,"5_1",315.25297,886.3,"Multiple",315.25299,0.06,"(9xi10xi12xi)-910-Dihydroxy-12-octadecenoic acid","C18H34O4","314.245709576","M+H","ISgroup_5_1178_26",12032470.7,0.253
"HMDB31623",2,1e+05,"2_1",193.08755,337.8,"Multiple",193.08592,8.44,"Ethyl phenylglycidate","C11H12O3","192.07864425","M+H","ISgroup_2_183_9",372893005.3,0.088
"HMDB31610",2,1e+05,"2_1",193.08755,337.8,"Multiple",193.08592,8.44,"Allyl phenoxyacetate","C11H12O3","192.07864425","M+H","ISgroup_2_183_9",372893005.3,0.088
"HMDB31569",2,1e+05,"2_1",177.12778,722.3,"Multiple",177.12739,2.2,"4-Methyl-1-phenyl-2-pentanone","C12H16O","176.120115134","M+H","ISgroup_2_927_13",46516054.5,0.128
"HMDB31567",2,1e+05,"2_1",161.09644,707.9,"Multiple",161.09609,2.17,"3-Methyl-4-phenyl-3-buten-2-one","C11H12O","160.088815006","M+H","ISgroup_2_900_10",91105070.5,0.096
"HMDB31349",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"Epiacoronene","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB31054",2,1e+05,"5_1",177.05475,510,"Multiple",177.05462,0.73,"10-Hydroxy-28-decadiene-46-diynoic acid","C10H8O3","176.047344122","M+H","ISgroup_5_516_6",40920417.9,0.055
"HMDB31014",2,1e+05,"10_1",211.17037,625.7,"Multiple",211.16926,5.26,"Methyl (2E6Z)-dodecadienoate","C13H22O2","210.161979948","M+H","ISgroup_10_754_18",362431364.1,0.17
"HMDB30968",2,1e+05,"5_1",119.04993,587.9,"Multiple",119.04914,6.64,"246-Octatriyn-1-ol","C8H6O","118.041864814","M+H","ISgroup_5_665_5",19537642.6,0.05
"HMDB30922",2,1e+05,"5_1",301.14093,805.9,"Multiple",301.14344,8.33,"13-Diacetoxy-4612-tetradecatriene-810-diyne","C18H20O4","300.136159128","M+H","ISgroup_5_1033_15",17101225.4,0.141
"HMDB30871",2,1e+05,"10_1",259.05787,490.2,"Multiple",259.0601,8.61,"Isogentisin","C14H10O5","258.05282343","M+H","ISgroup_10_489_6",27085415.5,0.058
"HMDB30858",2,1e+05,"5_1",237.07776,620.1,"Multiple",237.07575,8.48,"Austdiol","C12H12O5","236.068473494","M+H","ISgroup_5_726_8",91657037.3,0.078
"HMDB30831",2,1e+05,"10_1",259.05787,490.2,"Multiple",259.0601,8.61,"Alternariol","C14H10O5","258.05282343","M+H","ISgroup_10_489_6",27085415.5,0.058
"HMDB30810",2,1e+05,"5_1",387.18108,688,"Multiple",387.18021,2.25,"Porson","C22H26O6","386.172938564","M+H","ISgroup_5_844_19",2324363950,0.181
"HMDB30755",2,1e+05,"5_1",301.14093,805.9,"Multiple",301.14344,8.33,"Myrigalone E","C18H20O4","300.136159128","M+H","ISgroup_5_1033_15",17101225.4,0.141
"HMDB30752",2,1e+05,"2_1",193.08755,337.8,"Multiple",193.08592,8.44,"Methyl trans-p-methoxycinnamate","C11H12O3","192.07864425","M+H","ISgroup_2_183_9",372893005.3,0.088
"HMDB30656",2,1e+05,"4_1",379.15145,768.6,"Multiple",379.154,6.73,"Demethylcalabaxanthone","C23H22O5","378.146723814","M+H","ISgroup_4_589_16",30526879.1,0.151
"HMDB30582",2,1e+05,"5_1",237.07776,620.1,"Multiple",237.07575,8.48,"Dillapional","C12H12O5","236.068473494","M+H","ISgroup_5_726_8",91657037.3,0.078
"HMDB30580",2,1e+05,"2_1",193.08755,337.8,"Multiple",193.08592,8.44,"(R)-Shinanolone","C11H12O3","192.07864425","M+H","ISgroup_2_183_9",372893005.3,0.088
"HMDB30558",2,1e+05,"5_1",613.18241,1045.7,"Multiple",613.17631,9.95,"Safflomin A","C27H32O16","612.169034976","M+H","ISgroup_5_1417_19",299618142.7,0.182
"HMDB30463",2,1e+05,"4_1",537.39486,1115.6,"Unique",537.39384,1.9,"Hyperforin","C35H52O4","536.386560152","M+H","ISgroup_4_1270_40",109616889.7,0.395
"HMDB30455",2,1e+05,"5_1",377.23564,882.5,"Multiple",377.23225,8.99,"Macrophorin C","C22H32O5","376.224974134","M+H","ISgroup_5_1171_24",68665550.8,0.236
"HMDB30448",2,1e+05,"5_1",765.51747,716.4,"Multiple",765.51474,3.57,"Narasin","C43H72O11","764.507463146","M+H","ISgroup_5_895_52",7061188,0.517
"HMDB30425",2,1e+05,"10_1",211.17037,625.7,"Multiple",211.16926,5.26,"Linalyl propionate","C13H22O2","210.161979948","M+H","ISgroup_10_754_18",362431364.1,0.17
"HMDB30412",2,1e+05,"10_1",161.05416,296.2,"Multiple",161.05568,9.44,"Tricholomic acid","C5H8N2O4","160.048406754","M+H","ISgroup_10_125_6",5569164.2,0.054
"HMDB30406",2,1e+05,"10_1",164.07278,417.3,"Multiple",164.07398,7.31,"L-2-Amino-5-(methylthio)pentanoic acid","C6H13NO2S","163.066699355","M+H","ISgroup_10_349_8",74844957.9,0.073
"HMDB30404",2,1e+05,"4_1",415.2127,886.3,"Multiple",415.21151,2.87,"Armillaripin","C24H30O6","414.204238692","M+H","ISgroup_4_816_22",36435465.6,0.213
"HMDB30400",2,1e+05,"10_1",239.05867,723.3,"Multiple",239.05818,2.05,"L-4-Chlorotryptophan","C11H11ClN2O2","238.050905313","M+H","ISgroup_10_934_6",31576397.1,0.059
"HMDB30348",2,1e+05,"5_1",266.11785,373.7,"Multiple",266.11755,1.13,"Anonaine","C17H15NO2","265.110278729","M+H","ISgroup_5_253_12",9633310.5,0.118
"HMDB30346",2,1e+05,"10_1",148.11237,713.9,"Multiple",148.11208,1.96,"(S)-Actinidine","C10H13N","147.104799421","M+H","ISgroup_10_918_12",390960627.9,0.112
"HMDB30345",2,1e+05,"5_1",126.09246,535.1,"Multiple",126.09134,8.88,"6-Acetyl-1234-tetrahydropyridine","C7H11NO","125.084063979","M+H","ISgroup_5_562_10",12570179.4,0.092
"HMDB30319",2,1e+05,"5_1",228.06703,947.5,"Multiple",228.06552,6.62,"Mukeic acid","C13H9NO3","227.058243159","M+H","ISgroup_5_1287_7",37428821.9,0.067
"HMDB30311",2,1e+05,"2_1",213.10252,607.6,"Multiple",213.10224,1.31,"Harmine","C13H12N2O","212.094963016","M+H","ISgroup_2_714_11",53824153.9,0.103
"HMDB30290",2,1e+05,"5_1",225.19641,939.2,"Unique",225.19614,1.2,"Cuscohygrine","C13H24N2O","224.1888634","M+H","ISgroup_5_1272_20",79705770,0.196
"HMDB30218",2,1e+05,"5_1",228.06703,947.5,"Multiple",228.06552,6.62,"Lansine","C13H9NO3","227.058243159","M+H","ISgroup_5_1287_7",37428821.9,0.067
"HMDB30184",2,1e+05,"2_1",342.17008,824.2,"Multiple",342.16998,0.29,"(S)-Isocorydine","C20H23NO4","341.162708229","M+H","ISgroup_2_1117_18",190507444.7,0.17
"HMDB30147",2,1e+05,"5_1",377.23564,882.5,"Multiple",377.23225,8.99,"Prehumulone","C22H32O5","376.224974134","M+H","ISgroup_5_1171_24",68665550.8,0.236
"HMDB30057",2,1e+05,"10_1",413.26618,1097.6,"Unique",413.26864,5.95,"Boviquinone 4","C26H36O4","412.26135964","M+H","ISgroup_10_1633_27",35138834.1,0.266
"HMDB30016",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"Valerenic acid","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB29818",2,1e+05,"5_1",229.08627,738.6,"Multiple",229.08592,1.53,"Benzyl salicylate","C14H12O3","228.07864425","M+H","ISgroup_5_921_9",258002946.6,0.086
"HMDB29758",2,1e+05,"5_1",177.05475,510,"Multiple",177.05462,0.73,"Herniarin","C10H8O3","176.047344122","M+H","ISgroup_5_516_6",40920417.9,0.055
"HMDB29709",2,1e+05,"10_1",148.11237,713.9,"Multiple",148.11208,1.96,"5678-Tetrahydro-4-methylquinoline","C10H13N","147.104799421","M+H","ISgroup_10_918_12",390960627.9,0.112
"HMDB29708",2,1e+05,"5_1",162.12805,669.9,"Unique",162.12773,1.97,"5678-Tetrahydro-24-dimethylquinoline","C11H15N","161.120449485","M+H","ISgroup_5_811_13",10280520.3,0.128
"HMDB29674",2,1e+05,"5_1",187.05172,395.1,"Multiple",187.05203,1.66,"2-Chloro-13-dimethoxy-5-methylbenzene","C9H11ClO2","186.044757303","M+H","ISgroup_5_294_6",1986176.6,0.052
"HMDB29668",2,1e+05,"2_1",209.15471,781.5,"Multiple",209.15361,5.26,"Eremopetasinorol","C13H20O2","208.146329884","M+H","ISgroup_2_1034_16",36214625.7,0.155
"HMDB29629",2,1e+05,"5_1",713.1383,948.2,"Unique",713.13484,4.85,"26-Digalloyliriflophenone 3-C-glucoside","C33H28O18","712.127564092","M+H","ISgroup_5_1288_14",20196818.4,0.138
"HMDB29428",2,1e+05,"10_1",271.12918,733.6,"Unique",271.12885,1.22,"Hypoglycin B","C12H18N2O5","270.121571696","M+H","ISgroup_10_950_13",35691855.2,0.129
"HMDB29393",2,1e+05,"5_1",233.11243,872.7,"Multiple",233.1132,3.3,"L-N-(3-Carboxypropyl)glutamine","C9H16N2O5","232.105921632","M+H","ISgroup_5_1154_12",72214869.9,0.112
"HMDB29127",2,1e+05,"5_1",175.10605,667.3,"Multiple",175.10772,9.54,"Valyl-Glycine","C7H14N2O3","174.100442324","M+H","ISgroup_5_809_11",12060923.8,0.106
"HMDB29123",2,1e+05,"5_1",233.11243,872.7,"Multiple",233.1132,3.3,"Valyl-Aspartate","C9H16N2O5","232.105921632","M+H","ISgroup_5_1154_12",72214869.9,0.112
"HMDB29098",2,1e+05,"9_1",253.11878,739.2,"Multiple",253.11828,1.98,"Tyrosyl-Alanine","C12H16N2O4","252.11100701","M+H","ISgroup_9_1000_12",21013255.3,0.119
"HMDB29067",2,1e+05,"5_1",251.10667,985.7,"Multiple",251.106,2.67,"Threoninyl-Methionine","C9H18N2O4S","250.098727764","M+H","ISgroup_5_1344_11",23915611.9,0.107
"HMDB29062",2,1e+05,"5_1",233.11243,872.7,"Multiple",233.1132,3.3,"Threoninyl-Hydroxyproline","C9H16N2O5","232.105921632","M+H","ISgroup_5_1154_12",72214869.9,0.112
"HMDB29046",2,1e+05,"9_1",253.11878,739.2,"Multiple",253.11828,1.98,"Serinyl-Phenylalanine","C12H16N2O4","252.11100701","M+H","ISgroup_9_1000_12",21013255.3,0.119
"HMDB29036",2,1e+05,"10_1",209.05954,398.2,"Multiple",209.05905,2.34,"Serinyl-Cysteine","C6H12N2O4S","208.051777572","M+H","ISgroup_10_312_6",1181056220.9,0.06
"HMDB29004",2,1e+05,"9_1",253.11878,739.2,"Multiple",253.11828,1.98,"Phenylalanyl-Serine","C12H16N2O4","252.11100701","M+H","ISgroup_9_1000_12",21013255.3,0.119
"HMDB28983",2,1e+05,"5_1",251.10667,985.7,"Multiple",251.106,2.67,"Methionyl-Threonine","C9H18N2O4S","250.098727764","M+H","ISgroup_5_1344_11",23915611.9,0.107
"HMDB28933",2,1e+05,"5_1",245.18822,271.6,"Multiple",245.18597,9.18,"Leucyl-Leucine","C12H24N2O3","244.178692644","M+H","ISgroup_5_62_19",17315452.9,0.188
"HMDB28932",2,1e+05,"5_1",245.18822,271.6,"Multiple",245.18597,9.18,"Leucyl-Isoleucine","C12H24N2O3","244.178692644","M+H","ISgroup_5_62_19",17315452.9,0.188
"HMDB28911",2,1e+05,"5_1",245.18822,271.6,"Multiple",245.18597,9.18,"Isoleucyl-Leucine","C12H24N2O3","244.178692644","M+H","ISgroup_5_62_19",17315452.9,0.188
"HMDB28910",2,1e+05,"5_1",245.18822,271.6,"Multiple",245.18597,9.18,"Isoleucyl-Isoleucine","C12H24N2O3","244.178692644","M+H","ISgroup_5_62_19",17315452.9,0.188
"HMDB28873",2,1e+05,"5_1",233.11243,872.7,"Multiple",233.1132,3.3,"Hydroxyprolyl-Threonine","C9H16N2O5","232.105921632","M+H","ISgroup_5_1154_12",72214869.9,0.112
"HMDB28854",2,1e+05,"5_1",175.10605,667.3,"Multiple",175.10772,9.54,"Glycyl-Valine","C7H14N2O3","174.100442324","M+H","ISgroup_5_809_11",12060923.8,0.106
"HMDB28784",2,1e+05,"10_1",209.05954,398.2,"Multiple",209.05905,2.34,"Cysteinyl-Serine","C6H12N2O4S","208.051777572","M+H","ISgroup_10_312_6",1181056220.9,0.06
"HMDB28766",2,1e+05,"5_1",233.11243,872.7,"Multiple",233.1132,3.3,"Aspartyl-Valine","C9H16N2O5","232.105921632","M+H","ISgroup_5_1154_12",72214869.9,0.112
"HMDB28699",2,1e+05,"9_1",253.11878,739.2,"Multiple",253.11828,1.98,"Alanyl-Tyrosine","C12H16N2O4","252.11100701","M+H","ISgroup_9_1000_12",21013255.3,0.119
"HMDB15667",2,1e+05,"5_1",315.09319,779.3,"Unique",315.09102,6.89,"Sulfaphenazole","C15H14N4O2S","314.083746402","M+H","ISgroup_5_985_10",43268576.9,0.093
"HMDB15649",2,1e+05,"11_1",606.13808,776.9,"Unique",606.14048,3.96,"Gadobutrol","C18H31GdN4O9","605.133204143","M+H","ISgroup_11_468_14",3327142.8,0.138
"HMDB15575",2,1e+05,"5_1",229.08627,738.6,"Multiple",229.08592,1.53,"Trioxsalen","C14H12O3","228.07864425","M+H","ISgroup_5_921_9",258002946.6,0.086
"HMDB15520",2,1e+05,"1_1",266.17662,758,"Multiple",266.17507,5.82,"Oxprenolol","C15H23NO3","265.167793607","M+H","ISgroup_1_1028_18",29207341.7,0.177
"HMDB15497",2,1e+05,"5_1",229.08627,738.6,"Multiple",229.08592,1.53,"Oxybenzone","C14H12O3","228.07864425","M+H","ISgroup_5_921_9",258002946.6,0.086
"HMDB15471",2,1e+05,"10_1",259.05787,490.2,"Multiple",259.0601,8.61,"Salsalate","C14H10O5","258.05282343","M+H","ISgroup_10_489_6",27085415.5,0.058
"HMDB15424",2,1e+05,"5_1",646.14469,1000.2,"Unique",646.14968,7.72,"Cefoperazone","C25H27N9O8S2","645.142400265","M+H","ISgroup_5_1361_15",67071201.6,0.145
"HMDB15329",2,1e+05,"5_1",389.11172,834.2,"Multiple",389.11234,1.59,"Zopiclone","C17H17ClN6O3","388.105066147","M+H","ISgroup_5_1086_12",57985522.1,0.112
"HMDB15285",2,1e+05,"5_1",255.11826,635.6,"Unique",255.11617,8.19,"Thiamylal","C12H18N2O2S","254.10889852","M+H","ISgroup_5_753_12",19236695.6,0.118
"HMDB15259",2,1e+05,"5_1",381.03498,769.7,"Unique",381.03227,7.11,"Econazole","C18H15Cl3N2O","380.024996233","M+H","ISgroup_5_970_4",28349865.1,0.035
"HMDB15239",2,1e+05,"5_1",184.13406,508.1,"Unique",184.1332,4.67,"Methyprylon","C10H17NO2","183.125928793","M+H","ISgroup_5_514_14",5913431.8,0.134
"HMDB15194",2,1e+05,"11_1",462.14665,977.4,"Unique",462.14418,5.34,"Azlocillin","C20H23N5O6S","461.136904183","M+H","ISgroup_11_843_15",17451008.4,0.147
"HMDB15002",2,1e+05,"5_1",804.48884,863.8,"Unique",804.48925,0.51,"Tacrolimus","C44H69NO12","803.481976677","M+H","ISgroup_5_1138_49",6505980.9,0.489
"HMDB14928",2,1e+05,"10_1",369.23923,977.8,"Unique",369.2384,2.25,"Perindopril","C19H32N2O5","368.231122144","M+H","ISgroup_10_1404_24",23106041.6,0.239
"HMDB14890",2,1e+05,"6_1",134.09635,546.1,"Multiple",134.09643,0.6,"Tranylcypromine","C9H11N","133.089149357","M+H","ISgroup_6_622_10",3877990.4,0.096
"HMDB14842",2,1e+05,"2_1",342.17008,824.2,"Multiple",342.16998,0.29,"Naltrexone","C20H23NO4","341.162708229","M+H","ISgroup_2_1117_18",190507444.7,0.17
"HMDB14838",2,1e+05,"4_1",415.2127,886.3,"Multiple",415.21151,2.87,"Eplerenone","C24H30O6","414.204238692","M+H","ISgroup_4_816_22",36435465.6,0.213
"HMDB14723",2,1e+05,"2_1",332.11969,777.9,"Unique",332.12094,3.76,"Nizatidine","C12H21N5O2S2","331.113666321","M+H","ISgroup_2_1028_12",95294262.5,0.12
"HMDB14648",2,1e+05,"1_1",319.28453,942.5,"Unique",319.28697,7.64,"Tridihexethyl","C21H36NO","318.279689779","M+H","ISgroup_1_1393_29",19445787.8,0.285
"HMDB14632",2,1e+05,"7_1",273.12589,733.9,"Multiple",273.12674,3.11,"Sotalol","C12H20N2O3S","272.119463206","M+H","ISgroup_7_942_13",9716873.9,0.126
"HMDB14599",2,1e+05,"10_1",397.05455,724.5,"Unique",397.05225,5.79,"Cefalotin","C16H16N2O6S2","396.044977634","M+H","ISgroup_10_935_6",1934752951.2,0.055
"HMDB14563",2,1e+05,"2_1",220.15277,640.6,"Unique",220.15433,7.09,"Miglustat","C10H21NO4","219.147058165","M+H","ISgroup_2_777_16",21204078.6,0.153
"HMDB14546",2,1e+05,"5_1",389.11172,834.2,"Multiple",389.11234,1.59,"Eszopiclone","C17H17ClN6O3","388.105066147","M+H","ISgroup_5_1086_12",57985522.1,0.112
"HMDB14533",2,1e+05,"5_1",187.05172,395.1,"Multiple",187.05357,9.89,"Carbimazole","C7H10N2O2S","186.046298264","M+H","ISgroup_5_294_6",1986176.6,0.052
"HMDB14519",2,1e+05,"1_1",282.20431,670.9,"Unique",282.20551,4.25,"Colestipol","C11H28ClN5O","281.19823825","M+H","ISgroup_1_862_21",42725124.3,0.204
"HMDB14344",2,1e+05,"5_1",734.46899,667.9,"Multiple",734.46852,0.64,"Erythromycin","C37H67NO13","733.461241235","M+H","ISgroup_5_809_47",60968370.5,0.469
"HMDB13941",2,1e+05,"9_1",253.11878,739.2,"Multiple",253.11828,1.98,"Epoxy-hexobarbital","C12H16N2O4","252.11100701","M+H","ISgroup_9_1000_12",21013255.3,0.119
"HMDB13940",2,1e+05,"9_1",253.11878,739.2,"Multiple",253.11828,1.98,"3-Hydroxyhexobarbital","C12H16N2O4","252.11100701","M+H","ISgroup_9_1000_12",21013255.3,0.119
"HMDB13859",2,1e+05,"2_1",199.03922,595.3,"Multiple",199.03977,2.76,"2-Dechloroethylifosfamide","C5H12ClN2O2P","198.032491857","M+H","ISgroup_2_692_4",30551930.8,0.039
"HMDB13858",2,1e+05,"2_1",199.03922,595.3,"Multiple",199.03977,2.76,"3-Dechloroethylifosfamide","C5H12ClN2O2P","198.032491857","M+H","ISgroup_2_692_4",30551930.8,0.039
"HMDB13845",2,1e+05,"10_1",447.25216,819.2,"Unique",447.2503,4.16,"SR 49498","C25H30N6O2","446.243024234","M+H","ISgroup_10_1097_26",6294006.9,0.252
"HMDB13272",2,1e+05,"2_1",258.20647,722.2,"Unique",258.20637,0.39,"N-Lauroylglycine","C14H27NO3","257.199093735","M+H","ISgroup_2_927_21",16428119.4,0.206
"HMDB12866",2,1e+05,"10_1",391.28443,1062.6,"Multiple",391.28429,0.36,"9-Carboxy-alpha-chromanol","C24H38O4","390.277009704","M+H","ISgroup_10_1565_29",112944479.3,0.284
"HMDB12855",2,1e+05,"5_1",377.23564,882.5,"Multiple",377.23225,8.99,"7-hydroxy-D4-neuroprostane","C22H32O5","376.224974134","M+H","ISgroup_5_1171_24",68665550.8,0.236
"HMDB12839",2,1e+05,"5_1",337.23515,858.6,"Multiple",337.23734,6.49,"67-dihydro-5-oxo-12-epi-LTB4","C20H32O4","336.230059512","M+H","ISgroup_5_1129_24",29401790.1,0.235
"HMDB12777",2,1e+05,"5_1",377.23564,882.5,"Multiple",377.23225,8.99,"4-hydroxy-D4-neuroprostane","C22H32O5","376.224974134","M+H","ISgroup_5_1171_24",68665550.8,0.236
"HMDB12638",2,1e+05,"5_1",377.23564,882.5,"Multiple",377.23225,8.99,"20-hydroxy-E4-neuroprostane","C22H32O5","376.224974134","M+H","ISgroup_5_1171_24",68665550.8,0.236
"HMDB12601",2,1e+05,"5_1",377.23564,882.5,"Multiple",377.23225,8.99,"17-hydroxy-E4-neuroprostane","C22H32O5","376.224974134","M+H","ISgroup_5_1171_24",68665550.8,0.236
"HMDB12580",2,1e+05,"5_1",377.23564,882.5,"Multiple",377.23225,8.99,"14-hydroxy-E4-neuroprostane","C22H32O5","376.224974134","M+H","ISgroup_5_1171_24",68665550.8,0.236
"HMDB12558",2,1e+05,"5_1",441.29803,1007.1,"Multiple",441.29994,4.33,"13-Carboxy-gamma-tocotrienol","C28H40O4","440.292659768","M+H","ISgroup_5_1369_30",652595531.3,0.298
"HMDB12557",2,1e+05,"2_1",447.34665,1134.2,"Multiple",447.34689,0.54,"13-Carboxy-gamma-tocopherol","C28H46O4","446.33960996","M+H","ISgroup_2_1698_35",54734995.6,0.347
"HMDB12515",2,1e+05,"5_1",419.31607,991.3,"Multiple",419.31559,1.14,"11-Carboxy-alpha-chromanol","C26H42O4","418.308309832","M+H","ISgroup_5_1353_32",1689497654.6,0.316
"HMDB12498",2,1e+05,"5_1",337.23515,858.6,"Multiple",337.23734,6.49,"1011-dihydro-12-oxo-LTB4","C20H32O4","336.230059512","M+H","ISgroup_5_1129_24",29401790.1,0.235
"HMDB12489",2,1e+05,"6_1",134.09635,546.1,"Multiple",134.09643,0.6,"1234-Tetrahydroisoquinoline","C9H11N","133.089149357","M+H","ISgroup_6_622_10",3877990.4,0.096
"HMDB12484",2,1e+05,"7_1",194.11787,331.7,"Multiple",194.11755,1.65,"(R)-12-dimethyl-56-dihydroxy-tetrahydroisoquinoline","C11H15NO2","193.110278729","M+H","ISgroup_7_139_12",208820429.9,0.118
"HMDB12469",2,1e+05,"7_1",194.11787,331.7,"Multiple",194.11755,1.65,"(-)-Salsoline","C11H15NO2","193.110278729","M+H","ISgroup_7_139_12",208820429.9,0.118
"HMDB12305",2,1e+05,"5_1",551.06528,955,"Unique",551.06738,3.81,"UDP-L-rhamnose","C15H24N2O16P2","550.060105754","M+H","ISgroup_5_1299_7",4084062.9,0.065
"HMDB12271",2,1e+05,"5_1",178.08324,717.1,"Unique",178.08223,5.67,"O-Ureidohomoserine","C5H11N3O4","177.074955855","M+H","ISgroup_5_895_9",15240661.9,0.083
"HMDB12241",2,1e+05,"5_1",159.06547,365.9,"Multiple",159.06518,1.82,"Isopropylmaleate","C7H10O4","158.057908808","M+H","ISgroup_5_238_7",22151998.4,0.065
"HMDB12161",2,1e+05,"5_1",233.11243,872.7,"Multiple",233.1132,3.3,"4-(Glutamylamino) butanoate","C9H16N2O5","232.105921632","M+H","ISgroup_5_1154_12",72214869.9,0.112
"HMDB11657",2,1e+05,"6_1",184.08211,505.8,"Unique",184.0829,4.29,"26-Diamino-4-hydroxy-5-N-methylformamidopyrimidine","C6H9N5O2","183.075624557","M+H","ISgroup_6_542_9",15188719.6,0.082
"HMDB11652",2,1e+05,"5_1",377.23564,882.5,"Multiple",377.23225,8.99,"11beta-Hydroxy-320-dioxopregn-4-en-21-oic acid ","C22H32O5","376.224974134","M+H","ISgroup_5_1171_24",68665550.8,0.236
"HMDB11577",2,1e+05,"10_1",381.29764,1081.7,"Multiple",381.29994,6.03,"MG(20:3(8Z11Z14Z)0:00:0)","C23H40O4","380.292659768","M+H","ISgroup_10_1602_30",129596362.2,0.298
"HMDB11576",2,1e+05,"10_1",381.29764,1081.7,"Multiple",381.29994,6.03,"MG(20:3(5Z8Z11Z)0:00:0)","C23H40O4","380.292659768","M+H","ISgroup_10_1602_30",129596362.2,0.298
"HMDB11575",2,1e+05,"10_1",381.29764,1081.7,"Multiple",381.29994,6.03,"MG(20:3(11Z14Z17Z)0:00:0)","C23H40O4","380.292659768","M+H","ISgroup_10_1602_30",129596362.2,0.298
"HMDB11570",2,1e+05,"10_1",353.26651,1009.6,"Multiple",353.26864,6.03,"MG(18:3(9Z12Z15Z)0:00:0)","C21H36O4","352.26135964","M+H","ISgroup_10_1464_27",247148172.8,0.267
"HMDB11569",2,1e+05,"10_1",353.26651,1009.6,"Multiple",353.26864,6.03,"MG(18:3(6Z9Z12Z)0:00:0)","C21H36O4","352.26135964","M+H","ISgroup_10_1464_27",247148172.8,0.267
"HMDB11547",2,1e+05,"10_1",381.29764,1081.7,"Multiple",381.29994,6.03,"MG(0:020:3(8Z11Z14Z)0:0)","C23H40O4","380.292659768","M+H","ISgroup_10_1602_30",129596362.2,0.298
"HMDB11546",2,1e+05,"10_1",381.29764,1081.7,"Multiple",381.29994,6.03,"MG(0:020:3(5Z8Z11Z)0:0)","C23H40O4","380.292659768","M+H","ISgroup_10_1602_30",129596362.2,0.298
"HMDB11545",2,1e+05,"10_1",381.29764,1081.7,"Multiple",381.29994,6.03,"MG(0:020:3(11Z14Z17Z)0:0)","C23H40O4","380.292659768","M+H","ISgroup_10_1602_30",129596362.2,0.298
"HMDB11540",2,1e+05,"10_1",353.26651,1009.6,"Multiple",353.26864,6.03,"MG(0:018:3(9Z12Z15Z)0:0)","C21H36O4","352.26135964","M+H","ISgroup_10_1464_27",247148172.8,0.267
"HMDB11539",2,1e+05,"10_1",353.26651,1009.6,"Multiple",353.26864,6.03,"MG(0:018:3(6Z9Z12Z)0:0)","C21H36O4","352.26135964","M+H","ISgroup_10_1464_27",247148172.8,0.267
"HMDB11135",2,1e+05,"5_1",337.23515,858.6,"Multiple",337.23734,6.49,"5-HPETE","C20H32O4","336.230059512","M+H","ISgroup_5_1129_24",29401790.1,0.235
"HMDB10568",2,1e+05,"5_1",746.56201,993.1,"Multiple",746.56943,9.94,"PE-NMe2(16:018:1(9Z))","C41H80NO8P","745.562155053","M+H","ISgroup_5_1354_57",6158282.1,0.562
"HMDB10219",2,1e+05,"5_1",337.23515,858.6,"Multiple",337.23734,6.49,"815-DiHETE","C20H32O4","336.230059512","M+H","ISgroup_5_1129_24",29401790.1,0.235
"HMDB10216",2,1e+05,"5_1",337.23515,858.6,"Multiple",337.23734,6.49,"515-DiHETE","C20H32O4","336.230059512","M+H","ISgroup_5_1129_24",29401790.1,0.235
"HMDB10211",2,1e+05,"5_1",337.23515,858.6,"Multiple",337.23734,6.49,"1718-DiHETE","C20H32O4","336.230059512","M+H","ISgroup_5_1129_24",29401790.1,0.235
"HMDB10204",2,1e+05,"5_1",337.23515,858.6,"Multiple",337.23734,6.49,"1415-DiHETE","C20H32O4","336.230059512","M+H","ISgroup_5_1129_24",29401790.1,0.235
"HMDB09680",2,1e+05,"5_1",734.46899,667.9,"Multiple",734.47553,8.9,"PE(22:6(4Z7Z10Z13Z16Z19Z)14:1(9Z))","C41H68NO8P","733.468254669","M+H","ISgroup_5_809_47",60968370.5,0.469
"HMDB09514",2,1e+05,"5_1",746.56201,993.1,"Multiple",746.56943,9.94,"PE(22:1(13Z)14:0)","C41H80NO8P","745.562155053","M+H","ISgroup_5_1354_57",6158282.1,0.562
"HMDB09482",2,1e+05,"5_1",746.56201,993.1,"Multiple",746.56943,9.94,"PE(22:014:1(9Z))","C41H80NO8P","745.562155053","M+H","ISgroup_5_1354_57",6158282.1,0.562
"HMDB09253",2,1e+05,"5_1",746.56201,993.1,"Multiple",746.56943,9.94,"PE(20:1(11Z)16:0)","C41H80NO8P","745.562155053","M+H","ISgroup_5_1354_57",6158282.1,0.562
"HMDB09221",2,1e+05,"5_1",746.56201,993.1,"Multiple",746.56943,9.94,"PE(20:016:1(9Z))","C41H80NO8P","745.562155053","M+H","ISgroup_5_1354_57",6158282.1,0.562
"HMDB09194",2,1e+05,"5_1",734.46899,667.9,"Multiple",734.47553,8.9,"PE(18:4(6Z9Z12Z15Z)18:3(9Z12Z15Z))","C41H68NO8P","733.468254669","M+H","ISgroup_5_809_47",60968370.5,0.469
"HMDB09193",2,1e+05,"5_1",734.46899,667.9,"Multiple",734.47553,8.9,"PE(18:4(6Z9Z12Z15Z)18:3(6Z9Z12Z))","C41H68NO8P","733.468254669","M+H","ISgroup_5_809_47",60968370.5,0.469
"HMDB09162",2,1e+05,"5_1",734.46899,667.9,"Multiple",734.47553,8.9,"PE(18:3(9Z12Z15Z)18:4(6Z9Z12Z15Z))","C41H68NO8P","733.468254669","M+H","ISgroup_5_809_47",60968370.5,0.469
"HMDB09129",2,1e+05,"5_1",734.46899,667.9,"Multiple",734.47553,8.9,"PE(18:3(6Z9Z12Z)18:4(6Z9Z12Z15Z))","C41H68NO8P","733.468254669","M+H","ISgroup_5_809_47",60968370.5,0.469
"HMDB09057",2,1e+05,"5_1",746.56201,993.1,"Multiple",746.56943,9.94,"PE(18:1(9Z)18:0)","C41H80NO8P","745.562155053","M+H","ISgroup_5_1354_57",6158282.1,0.562
"HMDB09054",2,1e+05,"5_1",704.52547,903.3,"Multiple",704.52248,4.24,"PE(18:1(9Z)15:0)","C38H74NO8P","703.515204861","M+H","ISgroup_5_1206_53",2337516.5,0.525
"HMDB09024",2,1e+05,"5_1",746.56201,993.1,"Multiple",746.56943,9.94,"PE(18:1(11Z)18:0)","C41H80NO8P","745.562155053","M+H","ISgroup_5_1354_57",6158282.1,0.562
"HMDB09021",2,1e+05,"5_1",704.52547,903.3,"Multiple",704.52248,4.24,"PE(18:1(11Z)15:0)","C38H74NO8P","703.515204861","M+H","ISgroup_5_1206_53",2337516.5,0.525
"HMDB08993",2,1e+05,"5_1",746.56201,993.1,"Multiple",746.56943,9.94,"PE(18:018:1(9Z))","C41H80NO8P","745.562155053","M+H","ISgroup_5_1354_57",6158282.1,0.562
"HMDB08992",2,1e+05,"5_1",746.56201,993.1,"Multiple",746.56943,9.94,"PE(18:018:1(11Z))","C41H80NO8P","745.562155053","M+H","ISgroup_5_1354_57",6158282.1,0.562
"HMDB08965",2,1e+05,"5_1",746.56201,993.1,"Multiple",746.56943,9.94,"PE(16:1(9Z)20:0)","C41H80NO8P","745.562155053","M+H","ISgroup_5_1354_57",6158282.1,0.562
"HMDB08933",2,1e+05,"5_1",746.56201,993.1,"Multiple",746.56943,9.94,"PE(16:020:1(11Z))","C41H80NO8P","745.562155053","M+H","ISgroup_5_1354_57",6158282.1,0.562
"HMDB08894",2,1e+05,"5_1",704.52547,903.3,"Multiple",704.52248,4.24,"PE(15:018:1(9Z))","C38H74NO8P","703.515204861","M+H","ISgroup_5_1206_53",2337516.5,0.525
"HMDB08893",2,1e+05,"5_1",704.52547,903.3,"Multiple",704.52248,4.24,"PE(15:018:1(11Z))","C38H74NO8P","703.515204861","M+H","ISgroup_5_1206_53",2337516.5,0.525
"HMDB08880",2,1e+05,"5_1",734.46899,667.9,"Multiple",734.47553,8.9,"PE(14:1(9Z)22:6(4Z7Z10Z13Z16Z19Z))","C41H68NO8P","733.468254669","M+H","ISgroup_5_809_47",60968370.5,0.469
"HMDB08874",2,1e+05,"5_1",746.56201,993.1,"Multiple",746.56943,9.94,"PE(14:1(9Z)22:0)","C41H80NO8P","745.562155053","M+H","ISgroup_5_1354_57",6158282.1,0.562
"HMDB08842",2,1e+05,"5_1",746.56201,993.1,"Multiple",746.56943,9.94,"PE(14:022:1(13Z))","C41H80NO8P","745.562155053","M+H","ISgroup_5_1354_57",6158282.1,0.562
"HMDB08099",2,1e+05,"5_1",746.56201,993.1,"Multiple",746.56943,9.94,"PC(18:1(9Z)15:0)","C41H80NO8P","745.562155053","M+H","ISgroup_5_1354_57",6158282.1,0.562
"HMDB08066",2,1e+05,"5_1",746.56201,993.1,"Multiple",746.56943,9.94,"PC(18:1(11Z)15:0)","C41H80NO8P","745.562155053","M+H","ISgroup_5_1354_57",6158282.1,0.562
"HMDB07998",2,1e+05,"5_1",704.52547,903.3,"Multiple",704.52248,4.24,"PC(16:1(9Z)14:0)","C38H74NO8P","703.515204861","M+H","ISgroup_5_1206_53",2337516.5,0.525
"HMDB07966",2,1e+05,"5_1",704.52547,903.3,"Multiple",704.52248,4.24,"PC(16:014:1(9Z))","C38H74NO8P","703.515204861","M+H","ISgroup_5_1206_53",2337516.5,0.525
"HMDB07939",2,1e+05,"5_1",746.56201,993.1,"Multiple",746.56943,9.94,"PC(15:018:1(9Z))","C41H80NO8P","745.562155053","M+H","ISgroup_5_1354_57",6158282.1,0.562
"HMDB07938",2,1e+05,"5_1",746.56201,993.1,"Multiple",746.56943,9.94,"PC(15:018:1(11Z))","C41H80NO8P","745.562155053","M+H","ISgroup_5_1354_57",6158282.1,0.562
"HMDB07902",2,1e+05,"5_1",704.52547,903.3,"Multiple",704.52248,4.24,"PC(14:1(9Z)16:0)","C38H74NO8P","703.515204861","M+H","ISgroup_5_1206_53",2337516.5,0.525
"HMDB07870",2,1e+05,"5_1",704.52547,903.3,"Multiple",704.52248,4.24,"PC(14:016:1(9Z))","C38H74NO8P","703.515204861","M+H","ISgroup_5_1206_53",2337516.5,0.525
"HMDB06944",2,1e+05,"5_1",537.16651,1022,"Unique",537.16614,0.69,"14-beta-D-Glucan","C18H32O18","536.15886422","M+H","ISgroup_5_1387_17",659638184.2,0.167
"HMDB06802",2,1e+05,"5_1",216.02575,246.1,"Unique",216.02676,4.68,"O-Phospho-4-hydroxy-L-threonine","C4H10NO7P","215.019488191","M+H","ISgroup_5_13_3",50836543.8,0.026
"HMDB06357",2,1e+05,"1_1",189.03764,503.8,"Multiple",189.03936,9.1,"cis-2-Methylaconitate","C7H8O6","188.032087988","M+H","ISgroup_1_532_4",23576405.5,0.038
"HMDB06344",2,1e+05,"9_1",265.1158,502.3,"Multiple",265.11828,9.35,"Alpha-N-Phenylacetyl-L-glutamine","C13H16N2O4","264.11100701","M+H","ISgroup_9_529_12",99131198.4,0.116
"HMDB06023",2,1e+05,"10_1",282.11937,380.4,"Multiple",282.11968,1.1,"3-O-Methyladenosine","C11H15N5O4","281.112403993","M+H","ISgroup_10_279_12",42054546.4,0.119
"HMDB05089",2,1e+05,"5_1",337.23515,858.6,"Multiple",337.23734,6.49,"12(S)-Leukotriene B4","C20H32O4","336.230059512","M+H","ISgroup_5_1129_24",29401790.1,0.235
"HMDB05088",2,1e+05,"5_1",337.23515,858.6,"Multiple",337.23734,6.49,"6-trans-12-epi-Leukotriene B4","C20H32O4","336.230059512","M+H","ISgroup_5_1129_24",29401790.1,0.235
"HMDB05087",2,1e+05,"5_1",337.23515,858.6,"Multiple",337.23734,6.49,"6-trans-Leukotriene B4","C20H32O4","336.230059512","M+H","ISgroup_5_1129_24",29401790.1,0.235
"HMDB05050",2,1e+05,"5_1",337.23515,858.6,"Multiple",337.23734,6.49,"15H-1112-EETA","C20H32O4","336.230059512","M+H","ISgroup_5_1129_24",29401790.1,0.235
"HMDB04705",2,1e+05,"5_1",315.25297,886.3,"Multiple",315.25299,0.06,"1213-DHOME","C18H34O4","314.245709576","M+H","ISgroup_5_1178_26",12032470.7,0.253
"HMDB04704",2,1e+05,"5_1",315.25297,886.3,"Multiple",315.25299,0.06,"910-DHOME","C18H34O4","314.245709576","M+H","ISgroup_5_1178_26",12032470.7,0.253
"HMDB04699",2,1e+05,"5_1",337.23515,858.6,"Multiple",337.23734,6.49,"8(S)-HPETE","C20H32O4","336.230059512","M+H","ISgroup_5_1129_24",29401790.1,0.235
"HMDB04696",2,1e+05,"5_1",337.23515,858.6,"Multiple",337.23734,6.49,"11(R)-HPETE","C20H32O4","336.230059512","M+H","ISgroup_5_1129_24",29401790.1,0.235
"HMDB04693",2,1e+05,"5_1",337.23515,858.6,"Multiple",337.23734,6.49,"11H-1415-EETA","C20H32O4","336.230059512","M+H","ISgroup_5_1129_24",29401790.1,0.235
"HMDB04692",2,1e+05,"5_1",337.23515,858.6,"Multiple",337.23734,6.49,"12(R)-HPETE","C20H32O4","336.230059512","M+H","ISgroup_5_1129_24",29401790.1,0.235
"HMDB04690",2,1e+05,"5_1",337.23515,858.6,"Multiple",337.23734,6.49,"Hepoxilin B3","C20H32O4","336.230059512","M+H","ISgroup_5_1129_24",29401790.1,0.235
"HMDB04688",2,1e+05,"5_1",337.23515,858.6,"Multiple",337.23734,6.49,"Hepoxilin A3","C20H32O4","336.230059512","M+H","ISgroup_5_1129_24",29401790.1,0.235
"HMDB04326",2,1e+05,"10_1",282.11937,380.4,"Multiple",282.11968,1.1,"2-O-Methyladenosine","C11H15N5O4","281.112403993","M+H","ISgroup_10_279_12",42054546.4,0.119
"HMDB04259",2,1e+05,"9_1",265.1158,502.3,"Multiple",265.11828,9.35,"Acetyl-N-formyl-5-methoxykynurenamine","C13H16N2O4","264.11100701","M+H","ISgroup_9_529_12",99131198.4,0.116
"HMDB04244",2,1e+05,"5_1",337.23515,858.6,"Multiple",337.23734,6.49,"15(S)-HPETE","C20H32O4","336.230059512","M+H","ISgroup_5_1129_24",29401790.1,0.235
"HMDB04243",2,1e+05,"5_1",337.23515,858.6,"Multiple",337.23734,6.49,"12(S)-HPETE","C20H32O4","336.230059512","M+H","ISgroup_5_1129_24",29401790.1,0.235
"HMDB04063",2,1e+05,"5_1",198.11108,524.4,"Multiple",198.11247,7.02,"Metanephrine","C10H15NO3","197.105193351","M+H","ISgroup_5_543_12",7900657.4,0.111
"HMDB04044",2,1e+05,"10_1",282.11937,380.4,"Multiple",282.11968,1.1,"N6-Methyladenosine","C11H15N5O4","281.112403993","M+H","ISgroup_10_279_12",42054546.4,0.119
"HMDB03892",2,1e+05,"7_1",194.11787,331.7,"Multiple",194.11755,1.65,"(S)-N-Methylsalsolinol","C11H15NO2","193.110278729","M+H","ISgroup_7_139_12",208820429.9,0.118
"HMDB03747",2,1e+05,"5_1",229.08627,738.6,"Multiple",229.08592,1.53,"Resveratrol","C14H12O3","228.07864425","M+H","ISgroup_5_921_9",258002946.6,0.086
"HMDB03733",2,1e+05,"5_1",377.23564,882.5,"Multiple",377.23225,8.99,"Resolvin D1","C22H32O5","376.224974134","M+H","ISgroup_5_1171_24",68665550.8,0.236
"HMDB03626",2,1e+05,"7_1",194.11787,331.7,"Multiple",194.11755,1.65,"(R)-N-Methylsalsolinol","C11H15NO2","193.110278729","M+H","ISgroup_7_139_12",208820429.9,0.118
"HMDB03357",2,1e+05,"5_1",175.10605,667.3,"Multiple",175.10772,9.54,"N-Acetylornithine","C7H14N2O3","174.100442324","M+H","ISgroup_5_809_11",12060923.8,0.106
"HMDB03331",2,1e+05,"10_1",282.11937,380.4,"Multiple",282.11968,1.1,"1-Methyladenosine","C11H15N5O4","281.112403993","M+H","ISgroup_10_279_12",42054546.4,0.119
"HMDB02982",2,1e+05,"5_1",337.23515,858.6,"Multiple",337.23734,6.49,"Prostaglandin B1","C20H32O4","336.230059512","M+H","ISgroup_5_1129_24",29401790.1,0.235
"HMDB02656",2,1e+05,"5_1",337.23515,858.6,"Multiple",337.23734,6.49,"Prostaglandin A1","C20H32O4","336.230059512","M+H","ISgroup_5_1129_24",29401790.1,0.235
"HMDB02520",2,1e+05,"11_1",173.02248,575.3,"Multiple",173.02095,8.84,"Beta-Glycerophosphoric acid","C3H9O6P","172.013674532","M+H","ISgroup_11_70_3",24325532.1,0.022
"HMDB02294",2,1e+05,"5_1",377.23564,882.5,"Multiple",377.23225,8.99,"Resolvin D2","C22H32O5","376.224974134","M+H","ISgroup_5_1171_24",68665550.8,0.236
"HMDB02236",2,1e+05,"5_1",337.23515,858.6,"Multiple",337.23734,6.49,"8-iso-PGA1","C20H32O4","336.230059512","M+H","ISgroup_5_1129_24",29401790.1,0.235
"HMDB02234",2,1e+05,"5_1",130.05035,503.7,"Multiple",130.04987,3.69,"1-Pyrroline-4-hydroxy-2-carboxylate","C5H7NO3","129.042593095","M+H","ISgroup_5_507_6",73329969.6,0.05
"HMDB02194",2,1e+05,"1_1",264.05614,699.7,"Multiple",264.05363,9.51,"N-acetyl-S-(3-oxo-3-carboxy-n-propyl)cysteine","C9H13NO6S","263.046357843","M+H","ISgroup_1_918_6",38780362.4,0.056
"HMDB02169",2,1e+05,"10_1",164.07278,417.3,"Multiple",164.07398,7.31,"S-(2-carboxypropyl)-Cysteamine","C6H13NO2S","163.066699355","M+H","ISgroup_10_349_8",74844957.9,0.073
"HMDB02121",2,1e+05,"10_1",331.1891,968.5,"Multiple",331.19039,3.9,"Carnosol","C20H26O4","330.18310932","M+H","ISgroup_10_1389_19",15100576.7,0.189
"HMDB01876",2,1e+05,"1_1",264.05614,699.7,"Multiple",264.05363,9.51,"Epinephrine sulfate","C9H13NO6S","263.046357843","M+H","ISgroup_1_918_6",38780362.4,0.056
"HMDB01843",2,1e+05,"5_1",130.05035,503.7,"Multiple",130.04987,3.69,"N-Acryloylglycine","C5H7NO3","129.042593095","M+H","ISgroup_5_507_6",73329969.6,0.05
"HMDB01460",2,1e+05,"10_1",171.02427,237.1,"Unique",171.02393,1.99,"Diethylthiophosphate","C4H11O3PS","170.01665142","M+H","ISgroup_10_16_3",16535646.6,0.024
"HMDB01369",2,1e+05,"5_1",130.05035,503.7,"Multiple",130.04987,3.69,"Pyrroline hydroxycarboxylic acid","C5H7NO3","129.042593095","M+H","ISgroup_5_507_6",73329969.6,0.05
"HMDB01248",2,1e+05,"1_1",786.15783,923.9,"Unique",786.16441,8.37,"FAD","C27H33N9O15P2","785.157134455","M+H","ISgroup_1_1357_16",51419467.8,0.158
"HMDB01199",2,1e+05,"5_1",233.11243,872.7,"Multiple",233.1132,3.3,"N2-Succinyl-L-ornithine","C9H16N2O5","232.105921632","M+H","ISgroup_5_1154_12",72214869.9,0.112
"HMDB01193",2,1e+05,"5_1",337.23515,858.6,"Multiple",337.23734,6.49,"5(S)-Hydroperoxyeicosatetraenoic acid","C20H32O4","336.230059512","M+H","ISgroup_5_1129_24",29401790.1,0.235
"HMDB01085",2,1e+05,"5_1",337.23515,858.6,"Multiple",337.23734,6.49,"Leukotriene B4","C20H32O4","336.230059512","M+H","ISgroup_5_1129_24",29401790.1,0.235
"HMDB00930",2,1e+05,"5_1",149.06002,865,"Multiple",149.05971,2.08,"trans-Cinnamic acid","C9H8O2","148.0524295","M+H","ISgroup_5_1139_7",19920948.4,0.06
"HMDB00842",2,1e+05,"10_1",174.05466,345.1,"Unique",174.05495,1.67,"Quinaldic acid","C10H7NO2","173.047678473","M+H","ISgroup_10_218_6",644397678.5,0.055
"HMDB00805",2,1e+05,"5_1",130.05035,503.7,"Multiple",130.04987,3.69,"Pyrrolidonecarboxylic acid","C5H7NO3","129.042593095","M+H","ISgroup_5_507_6",73329969.6,0.05
"HMDB00782",2,1e+05,"5_1",315.25297,886.3,"Multiple",315.25299,0.06,"Octadecanedioic acid","C18H34O4","314.245709576","M+H","ISgroup_5_1178_26",12032470.7,0.253
"HMDB00635",2,1e+05,"5_1",159.06547,365.9,"Multiple",159.06518,1.82,"Succinylacetone","C7H10O4","158.057908808","M+H","ISgroup_5_238_7",22151998.4,0.065
"HMDB00567",2,1e+05,"5_1",149.06002,865,"Multiple",149.05971,2.08,"Cinnamic acid","C9H8O2","148.0524295","M+H","ISgroup_5_1139_7",19920948.4,0.06
"HMDB00503",2,1e+05,"10_1",391.28443,1062.6,"Multiple",391.28429,0.36,"7a-Hydroxy-3-oxo-5b-cholanoic acid","C24H38O4","390.277009704","M+H","ISgroup_10_1565_29",112944479.3,0.284
"HMDB00467",2,1e+05,"10_1",391.28443,1062.6,"Multiple",391.28429,0.36,"Nutriacholic acid","C24H38O4","390.277009704","M+H","ISgroup_10_1565_29",112944479.3,0.284
"HMDB00466",2,1e+05,"10_1",132.08104,711.5,"Multiple",132.08078,1.97,"3-Methylindole","C9H9N","131.073499293","M+H","ISgroup_10_915_9",12082032.1,0.081
"HMDB00460",2,1e+05,"10_1",391.28443,1062.6,"Multiple",391.28429,0.36,"7-Hydroxy-3-oxocholanoic acid","C24H38O4","390.277009704","M+H","ISgroup_10_1565_29",112944479.3,0.284
"HMDB00328",2,1e+05,"10_1",391.28443,1062.6,"Multiple",391.28429,0.36,"12-Ketodeoxycholic acid","C24H38O4","390.277009704","M+H","ISgroup_10_1565_29",112944479.3,0.284
"HMDB00269",2,1e+05,"5_1",302.30581,956.1,"Unique",302.30536,1.49,"Sphinganine","C18H39NO2","301.298079497","M+H","ISgroup_5_1300_31",18555783.8,0.306
"HMDB00267",2,1e+05,"5_1",130.05035,503.7,"Multiple",130.04987,3.69,"Pyroglutamic acid","C5H7NO3","129.042593095","M+H","ISgroup_5_507_6",73329969.6,0.05
"HMDB00235",2,1e+05,"5_1",266.11785,373.7,"Multiple",266.11958,6.5,"Thiamine","C12H17N4OS","265.112306876","M+H","ISgroup_5_253_12",9633310.5,0.118
"HMDB00126",2,1e+05,"11_1",173.02248,575.3,"Multiple",173.02095,8.84,"Glycerol 3-phosphate","C3H9O6P","172.013674532","M+H","ISgroup_11_70_3",24325532.1,0.022
"HMDB61175",0,0,"5_1",152.54526,1046.3,"Multiple",152.546,4.85,"p-Hydroxynordiazepam","C15H11ClN2O2","286.050905313","M+H+NH4","ISgroup_5_1417_55",6847597,0.545
"HMDB61159",0,0,"10_1",214.10222,762.1,"Multiple",214.10335,5.28,"N-Carbamoyl glucuronide lorcaserin","C21H28ClNO5","409.165600718","M+H+NH4","ISgroup_10_997_11",180527219.8,0.102
"HMDB61121",0,0,"5_1",152.54526,1046.3,"Multiple",152.546,4.85,"3-Hydroxynordiazepam","C15H11ClN2O2","286.050905313","M+H+NH4","ISgroup_5_1417_55",6847597,0.545
"HMDB60975",0,0,"5_1",152.54526,1046.3,"Multiple",152.546,4.85,"nortemazepam","C15H11ClN2O2","286.050905313","M+H+NH4","ISgroup_5_1417_55",6847597,0.545
"HMDB60970",0,0,"5_1",152.54526,1046.3,"Multiple",152.546,4.85,"norclobazam","C15H11ClN2O2","286.050905313","M+H+NH4","ISgroup_5_1417_55",6847597,0.545
"HMDB60896",0,0,"10_1",354.15638,551.3,"Unique",354.15583,1.55,"N-Desmethylritonavir","C36H46N6O5S2","706.297109992","M+2H","ISgroup_10_610_16",7889537.8,0.156
"HMDB60797",0,0,"11_1",234.11762,738.5,"Multiple",234.11562,8.54,"6alpha9alpha-Difluoroprednisolone-17-butyrate","C25H32F2O6","466.216695166","M+2H","ISgroup_11_392_12",673591366.4,0.118
"HMDB60751",0,0,"11_1",230.08948,738,"Multiple",230.08972,1.04,"3-Amino-3-deoxythimidine glucuronide","C16H23N3O10","417.138343971","M+ACN+2H","ISgroup_11_392_9",36772521.3,0.089
"HMDB60622",0,0,"10_1",285.14564,739.3,"Multiple",285.14651,3.05,"Endoxifen O-glucuronide","C31H37NO8","551.251917165","M+H+NH4","ISgroup_10_958_15",326959665.7,0.146
"HMDB60619",0,0,"5_1",183.07047,585.4,"Unique",183.06955,5.03,"Tazarotenic acid","C19H17NO2S","323.097999483","M+ACN+2H","ISgroup_5_661_8",12796234.9,0.07
"HMDB60450",0,0,"5_1",208.55821,1119.7,"Multiple",208.55974,7.34,"Cephalosporin C","C16H21N3O8S","415.104935353","M+2H","ISgroup_5_1543_56",2048280.3,0.558
"HMDB60387",0,0,"5_1",304.06802,726.1,"Unique",304.06704,3.22,"4-Glutathionyl cyclophosphamide","C17H30Cl2N5O8PS","565.092975577","M+ACN+2H","ISgroup_5_907_7",155887309,0.068
"HMDB60343",0,0,"7_1",336.59996,980,"Multiple",336.60181,5.5,"2-(S-Glutathionyl)acetyl glutathione","C22H34N6O13S2","654.162526584","M+H+NH4","ISgroup_7_1429_60",1718466.9,0.6
"HMDB60313",0,0,"5_1",560.68047,1034.5,"Unique",560.685,8.08,"(6Z9Z12Z15Z18Z21Z)-3-Oxotetracosahexa-6912151821-enoyl-CoA","C45H68N7O18P3S","1119.355438633","M+2H","ISgroup_5_1403_69",432243.2,0.68
"HMDB60110",0,0,"5_1",359.98071,771,"Unique",359.98329,7.17,"35-Diiodo-L-thyronine-beta-D-glucuronoside","C21H21I2NO10","700.925482737","M+H+NH4","ISgroup_5_970_99",115809267.9,0.981
"HMDB60107",0,0,"5_1",178.12612,508.6,"Multiple",178.12759,8.25,"(5Z9E12S14Z)-81112-Trihydroxyicosa-5914-trienoate","C20H34O5","354.240624198","M+2H","ISgroup_5_514_13",29081289.6,0.126
"HMDB60045",0,0,"5_1",178.12612,508.6,"Multiple",178.12759,8.25,"15-keto-PGF1alpha","C20H34O5","354.240624198","M+2H","ISgroup_5_514_13",29081289.6,0.126
"HMDB59935",0,0,"10_1",658.22324,1012.8,"Unique",658.22385,0.93,"Maltooctaose","C48H82O41","1314.433152126","M+2H","ISgroup_10_1469_23",6788884.5,0.223
"HMDB59662",0,0,"10_1",214.10222,762.1,"Multiple",214.10042,8.41,"Q","C17H23N5O7","409.159748115","M+H+NH4","ISgroup_10_997_11",180527219.8,0.102
"HMDB59642",0,0,"2_1",216.19582,639.7,"Multiple",216.19782,9.25,"4-beta-Hydroxymethyl-4-alpha-methyl-5-alpha-cholest-7-en-3-beta-ol","C29H50O2","430.381080844","M+2H","ISgroup_2_776_20",3469530.6,0.196
"HMDB59626",0,0,"10_1",160.05025,295.6,"Multiple",160.04868,9.81,"N-acetyl-alpha-D-galactosamine 1-phosphate","C8H16NO9P","301.056267627","M+H+NH4","ISgroup_10_125_6",91668458.7,0.05
"HMDB59410",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(22:5(7Z10Z13Z16Z19Z)16:022:6(4Z7Z10Z13Z16Z19Z)16:0)","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB59402",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(22:5(7Z10Z13Z16Z19Z)16:022:5(7Z10Z13Z16Z19Z)16:1(9Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB59400",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(22:5(7Z10Z13Z16Z19Z)16:022:5(7Z10Z13Z16Z19Z)16:0)","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB59240",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(22:5(4Z7Z10Z13Z16Z)16:1(9Z)22:5(7Z10Z13Z16Z19Z)16:0)","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB59205",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(22:5(4Z7Z10Z13Z16Z)16:022:6(4Z7Z10Z13Z16Z19Z)16:0)","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB59197",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(22:5(4Z7Z10Z13Z16Z)16:022:5(7Z10Z13Z16Z19Z)16:1(9Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB59195",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(22:5(4Z7Z10Z13Z16Z)16:022:5(7Z10Z13Z16Z19Z)16:0)","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB59187",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(22:5(4Z7Z10Z13Z16Z)16:022:5(4Z7Z10Z13Z16Z)16:1(9Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB59185",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(22:5(4Z7Z10Z13Z16Z)16:022:5(4Z7Z10Z13Z16Z)16:0)","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB59043",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(20:4(5Z8Z11Z14Z)18:1(9Z)20:4(5Z8Z11Z14Z)18:1(9Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB59023",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(20:4(5Z8Z11Z14Z)18:1(11Z)20:4(5Z8Z11Z14Z)18:1(9Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB59022",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(20:4(5Z8Z11Z14Z)18:1(11Z)20:4(5Z8Z11Z14Z)18:1(11Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB58996",0,0,"5_1",766.52485,788.1,"Multiple",766.53251,9.99,"CL(20:4(5Z8Z11Z14Z)18:022:5(7Z10Z13Z16Z19Z)18:0)","C87H152O17P2","1531.050476462","M+2H","ISgroup_5_999_53",4880812.7,0.525
"HMDB58992",0,0,"5_1",766.52485,788.1,"Multiple",766.53251,9.99,"CL(20:4(5Z8Z11Z14Z)18:022:5(4Z7Z10Z13Z16Z)18:0)","C87H152O17P2","1531.050476462","M+2H","ISgroup_5_999_53",4880812.7,0.525
"HMDB58847",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(18:2(9Z12Z)18:2(9Z12Z)22:6(4Z7Z10Z13Z16Z19Z)16:1(9Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB58845",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(18:2(9Z12Z)18:2(9Z12Z)22:6(4Z7Z10Z13Z16Z19Z)16:0)","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB58837",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(18:2(9Z12Z)18:2(9Z12Z)22:5(7Z10Z13Z16Z19Z)16:1(9Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB58836",0,0,"5_1",766.52485,788.1,"Multiple",766.53251,9.99,"CL(18:2(9Z12Z)18:2(9Z12Z)22:5(7Z10Z13Z16Z19Z)18:0)","C87H152O17P2","1531.050476462","M+2H","ISgroup_5_999_53",4880812.7,0.525
"HMDB58827",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(18:2(9Z12Z)18:2(9Z12Z)22:5(4Z7Z10Z13Z16Z)16:1(9Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB58826",0,0,"5_1",766.52485,788.1,"Multiple",766.53251,9.99,"CL(18:2(9Z12Z)18:2(9Z12Z)22:5(4Z7Z10Z13Z16Z)18:0)","C87H152O17P2","1531.050476462","M+2H","ISgroup_5_999_53",4880812.7,0.525
"HMDB58805",0,0,"5_1",765.51747,716.4,"Multiple",765.52469,9.43,"CL(18:2(9Z12Z)18:1(9Z)22:5(7Z10Z13Z16Z19Z)18:2(9Z12Z))","C87H150O17P2","1529.034826398","M+2H","ISgroup_5_895_52",7061188,0.517
"HMDB58800",0,0,"5_1",765.51747,716.4,"Multiple",765.52469,9.43,"CL(18:2(9Z12Z)18:1(9Z)22:5(4Z7Z10Z13Z16Z)18:2(9Z12Z))","C87H150O17P2","1529.034826398","M+2H","ISgroup_5_895_52",7061188,0.517
"HMDB58792",0,0,"5_1",765.51747,716.4,"Multiple",765.52469,9.43,"CL(18:2(9Z12Z)18:1(9Z)18:2(9Z12Z)22:5(7Z10Z13Z16Z19Z))","C87H150O17P2","1529.034826398","M+2H","ISgroup_5_895_52",7061188,0.517
"HMDB58791",0,0,"5_1",765.51747,716.4,"Multiple",765.52469,9.43,"CL(18:2(9Z12Z)18:1(9Z)18:2(9Z12Z)22:5(4Z7Z10Z13Z16Z))","C87H150O17P2","1529.034826398","M+2H","ISgroup_5_895_52",7061188,0.517
"HMDB58781",0,0,"5_1",765.51747,716.4,"Multiple",765.52469,9.43,"CL(18:2(9Z12Z)18:1(11Z)22:5(7Z10Z13Z16Z19Z)18:2(9Z12Z))","C87H150O17P2","1529.034826398","M+2H","ISgroup_5_895_52",7061188,0.517
"HMDB58776",0,0,"5_1",765.51747,716.4,"Multiple",765.52469,9.43,"CL(18:2(9Z12Z)18:1(11Z)22:5(4Z7Z10Z13Z16Z)18:2(9Z12Z))","C87H150O17P2","1529.034826398","M+2H","ISgroup_5_895_52",7061188,0.517
"HMDB58768",0,0,"5_1",765.51747,716.4,"Multiple",765.52469,9.43,"CL(18:2(9Z12Z)18:1(11Z)18:2(9Z12Z)22:5(7Z10Z13Z16Z19Z))","C87H150O17P2","1529.034826398","M+2H","ISgroup_5_895_52",7061188,0.517
"HMDB58767",0,0,"5_1",765.51747,716.4,"Multiple",765.52469,9.43,"CL(18:2(9Z12Z)18:1(11Z)18:2(9Z12Z)22:5(4Z7Z10Z13Z16Z))","C87H150O17P2","1529.034826398","M+2H","ISgroup_5_895_52",7061188,0.517
"HMDB58761",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(18:2(9Z12Z)16:1(9Z)22:6(4Z7Z10Z13Z16Z19Z)18:2(9Z12Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB58757",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(18:2(9Z12Z)16:1(9Z)22:5(7Z10Z13Z16Z19Z)18:2(9Z12Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB58753",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(18:2(9Z12Z)16:1(9Z)22:5(4Z7Z10Z13Z16Z)18:2(9Z12Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB58748",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(18:2(9Z12Z)16:1(9Z)18:2(9Z12Z)22:6(4Z7Z10Z13Z16Z19Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB58747",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(18:2(9Z12Z)16:1(9Z)18:2(9Z12Z)22:5(7Z10Z13Z16Z19Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB58746",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(18:2(9Z12Z)16:1(9Z)18:2(9Z12Z)22:5(4Z7Z10Z13Z16Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB58739",0,0,"5_1",765.51747,716.4,"Multiple",765.52469,9.43,"CL(18:2(9Z12Z)18:022:6(4Z7Z10Z13Z16Z19Z)18:2(9Z12Z))","C87H150O17P2","1529.034826398","M+2H","ISgroup_5_895_52",7061188,0.517
"HMDB58735",0,0,"5_1",766.52485,788.1,"Multiple",766.53251,9.99,"CL(18:2(9Z12Z)18:022:5(7Z10Z13Z16Z19Z)18:2(9Z12Z))","C87H152O17P2","1531.050476462","M+2H","ISgroup_5_999_53",4880812.7,0.525
"HMDB58731",0,0,"5_1",766.52485,788.1,"Multiple",766.53251,9.99,"CL(18:2(9Z12Z)18:022:5(4Z7Z10Z13Z16Z)18:2(9Z12Z))","C87H152O17P2","1531.050476462","M+2H","ISgroup_5_999_53",4880812.7,0.525
"HMDB58726",0,0,"5_1",765.51747,716.4,"Multiple",765.52469,9.43,"CL(18:2(9Z12Z)18:018:2(9Z12Z)22:6(4Z7Z10Z13Z16Z19Z))","C87H150O17P2","1529.034826398","M+2H","ISgroup_5_895_52",7061188,0.517
"HMDB58725",0,0,"5_1",766.52485,788.1,"Multiple",766.53251,9.99,"CL(18:2(9Z12Z)18:018:2(9Z12Z)22:5(7Z10Z13Z16Z19Z))","C87H152O17P2","1531.050476462","M+2H","ISgroup_5_999_53",4880812.7,0.525
"HMDB58724",0,0,"5_1",766.52485,788.1,"Multiple",766.53251,9.99,"CL(18:2(9Z12Z)18:018:2(9Z12Z)22:5(4Z7Z10Z13Z16Z))","C87H152O17P2","1531.050476462","M+2H","ISgroup_5_999_53",4880812.7,0.525
"HMDB58716",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(18:2(9Z12Z)16:022:6(4Z7Z10Z13Z16Z19Z)18:2(9Z12Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB58703",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(18:2(9Z12Z)16:018:2(9Z12Z)22:6(4Z7Z10Z13Z16Z19Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB58632",0,0,"5_1",765.51747,716.4,"Multiple",765.52469,9.43,"CL(18:1(9Z)22:5(7Z10Z13Z16Z19Z)18:2(9Z12Z)18:2(9Z12Z))","C87H150O17P2","1529.034826398","M+2H","ISgroup_5_895_52",7061188,0.517
"HMDB58595",0,0,"5_1",765.51747,716.4,"Multiple",765.52469,9.43,"CL(18:1(9Z)22:5(4Z7Z10Z13Z16Z)18:2(9Z12Z)18:2(9Z12Z))","C87H150O17P2","1529.034826398","M+2H","ISgroup_5_895_52",7061188,0.517
"HMDB58570",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(18:1(9Z)20:4(5Z8Z11Z14Z)20:4(5Z8Z11Z14Z)18:1(9Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB58569",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(18:1(9Z)20:4(5Z8Z11Z14Z)20:4(5Z8Z11Z14Z)18:1(11Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB58558",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(18:1(9Z)20:4(5Z8Z11Z14Z)18:1(9Z)20:4(5Z8Z11Z14Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB58551",0,0,"5_1",765.51747,716.4,"Multiple",765.52469,9.43,"CL(18:1(9Z)18:2(9Z12Z)22:5(7Z10Z13Z16Z19Z)18:2(9Z12Z))","C87H150O17P2","1529.034826398","M+2H","ISgroup_5_895_52",7061188,0.517
"HMDB58546",0,0,"5_1",765.51747,716.4,"Multiple",765.52469,9.43,"CL(18:1(9Z)18:2(9Z12Z)22:5(4Z7Z10Z13Z16Z)18:2(9Z12Z))","C87H150O17P2","1529.034826398","M+2H","ISgroup_5_895_52",7061188,0.517
"HMDB58538",0,0,"5_1",765.51747,716.4,"Multiple",765.52469,9.43,"CL(18:1(9Z)18:2(9Z12Z)18:2(9Z12Z)22:5(7Z10Z13Z16Z19Z))","C87H150O17P2","1529.034826398","M+2H","ISgroup_5_895_52",7061188,0.517
"HMDB58537",0,0,"5_1",765.51747,716.4,"Multiple",765.52469,9.43,"CL(18:1(9Z)18:2(9Z12Z)18:2(9Z12Z)22:5(4Z7Z10Z13Z16Z))","C87H150O17P2","1529.034826398","M+2H","ISgroup_5_895_52",7061188,0.517
"HMDB58491",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(18:1(9Z)18:1(9Z)20:4(5Z8Z11Z14Z)20:4(5Z8Z11Z14Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB58437",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(18:1(9Z)18:1(11Z)20:4(5Z8Z11Z14Z)20:4(5Z8Z11Z14Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB58249",0,0,"5_1",765.51747,716.4,"Multiple",765.52469,9.43,"CL(18:1(11Z)22:5(7Z10Z13Z16Z19Z)18:2(9Z12Z)18:2(9Z12Z))","C87H150O17P2","1529.034826398","M+2H","ISgroup_5_895_52",7061188,0.517
"HMDB58202",0,0,"5_1",765.51747,716.4,"Multiple",765.52469,9.43,"CL(18:1(11Z)22:5(4Z7Z10Z13Z16Z)18:2(9Z12Z)18:2(9Z12Z))","C87H150O17P2","1529.034826398","M+2H","ISgroup_5_895_52",7061188,0.517
"HMDB58167",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(18:1(11Z)20:4(5Z8Z11Z14Z)20:4(5Z8Z11Z14Z)18:1(9Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB58166",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(18:1(11Z)20:4(5Z8Z11Z14Z)20:4(5Z8Z11Z14Z)18:1(11Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB58155",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(18:1(11Z)20:4(5Z8Z11Z14Z)18:1(9Z)20:4(5Z8Z11Z14Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB58145",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(18:1(11Z)20:4(5Z8Z11Z14Z)18:1(11Z)20:4(5Z8Z11Z14Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB58138",0,0,"5_1",765.51747,716.4,"Multiple",765.52469,9.43,"CL(18:1(11Z)18:2(9Z12Z)22:5(7Z10Z13Z16Z19Z)18:2(9Z12Z))","C87H150O17P2","1529.034826398","M+2H","ISgroup_5_895_52",7061188,0.517
"HMDB58133",0,0,"5_1",765.51747,716.4,"Multiple",765.52469,9.43,"CL(18:1(11Z)18:2(9Z12Z)22:5(4Z7Z10Z13Z16Z)18:2(9Z12Z))","C87H150O17P2","1529.034826398","M+2H","ISgroup_5_895_52",7061188,0.517
"HMDB58125",0,0,"5_1",765.51747,716.4,"Multiple",765.52469,9.43,"CL(18:1(11Z)18:2(9Z12Z)18:2(9Z12Z)22:5(7Z10Z13Z16Z19Z))","C87H150O17P2","1529.034826398","M+2H","ISgroup_5_895_52",7061188,0.517
"HMDB58124",0,0,"5_1",765.51747,716.4,"Multiple",765.52469,9.43,"CL(18:1(11Z)18:2(9Z12Z)18:2(9Z12Z)22:5(4Z7Z10Z13Z16Z))","C87H150O17P2","1529.034826398","M+2H","ISgroup_5_895_52",7061188,0.517
"HMDB58068",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(18:1(11Z)18:1(9Z)20:4(5Z8Z11Z14Z)20:4(5Z8Z11Z14Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB58002",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(18:1(11Z)18:1(11Z)20:4(5Z8Z11Z14Z)20:4(5Z8Z11Z14Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB57825",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(16:1(9Z)22:6(4Z7Z10Z13Z16Z19Z)18:2(9Z12Z)18:2(9Z12Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB57801",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(16:1(9Z)22:5(7Z10Z13Z16Z19Z)22:5(7Z10Z13Z16Z19Z)16:0)","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB57791",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(16:1(9Z)22:5(7Z10Z13Z16Z19Z)22:5(4Z7Z10Z13Z16Z)16:0)","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB57784",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(16:1(9Z)22:5(7Z10Z13Z16Z19Z)18:2(9Z12Z)18:2(9Z12Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB57757",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(16:1(9Z)22:5(4Z7Z10Z13Z16Z)22:5(7Z10Z13Z16Z19Z)16:0)","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB57747",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(16:1(9Z)22:5(4Z7Z10Z13Z16Z)22:5(4Z7Z10Z13Z16Z)16:0)","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB57740",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(16:1(9Z)22:5(4Z7Z10Z13Z16Z)18:2(9Z12Z)18:2(9Z12Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB57688",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(16:1(9Z)18:2(9Z12Z)22:6(4Z7Z10Z13Z16Z19Z)18:2(9Z12Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB57684",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(16:1(9Z)18:2(9Z12Z)22:5(7Z10Z13Z16Z19Z)18:2(9Z12Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB57680",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(16:1(9Z)18:2(9Z12Z)22:5(4Z7Z10Z13Z16Z)18:2(9Z12Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB57675",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(16:1(9Z)18:2(9Z12Z)18:2(9Z12Z)22:6(4Z7Z10Z13Z16Z19Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB57674",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(16:1(9Z)18:2(9Z12Z)18:2(9Z12Z)22:5(7Z10Z13Z16Z19Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB57673",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(16:1(9Z)18:2(9Z12Z)18:2(9Z12Z)22:5(4Z7Z10Z13Z16Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB57440",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(16:1(9Z)16:022:5(7Z10Z13Z16Z19Z)22:5(7Z10Z13Z16Z19Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB57439",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(16:1(9Z)16:022:5(7Z10Z13Z16Z19Z)22:5(4Z7Z10Z13Z16Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB57436",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(16:1(9Z)16:022:5(4Z7Z10Z13Z16Z)22:5(7Z10Z13Z16Z19Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB57435",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(16:1(9Z)16:022:5(4Z7Z10Z13Z16Z)22:5(4Z7Z10Z13Z16Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB57388",0,0,"5_1",765.51747,716.4,"Multiple",765.52469,9.43,"CL(18:022:6(4Z7Z10Z13Z16Z19Z)20:4(5Z8Z11Z14Z)18:0)","C87H150O17P2","1529.034826398","M+2H","ISgroup_5_895_52",7061188,0.517
"HMDB57386",0,0,"5_1",765.51747,716.4,"Multiple",765.52469,9.43,"CL(18:022:6(4Z7Z10Z13Z16Z19Z)18:2(9Z12Z)18:2(9Z12Z))","C87H150O17P2","1529.034826398","M+2H","ISgroup_5_895_52",7061188,0.517
"HMDB57359",0,0,"5_1",765.51747,716.4,"Multiple",765.52469,9.43,"CL(18:022:5(7Z10Z13Z16Z19Z)22:5(7Z10Z13Z16Z19Z)16:0)","C87H150O17P2","1529.034826398","M+2H","ISgroup_5_895_52",7061188,0.517
"HMDB57349",0,0,"5_1",765.51747,716.4,"Multiple",765.52469,9.43,"CL(18:022:5(7Z10Z13Z16Z19Z)22:5(4Z7Z10Z13Z16Z)16:0)","C87H150O17P2","1529.034826398","M+2H","ISgroup_5_895_52",7061188,0.517
"HMDB57345",0,0,"5_1",766.52485,788.1,"Multiple",766.53251,9.99,"CL(18:022:5(7Z10Z13Z16Z19Z)20:4(5Z8Z11Z14Z)18:0)","C87H152O17P2","1531.050476462","M+2H","ISgroup_5_999_53",4880812.7,0.525
"HMDB57342",0,0,"5_1",766.52485,788.1,"Multiple",766.53251,9.99,"CL(18:022:5(7Z10Z13Z16Z19Z)18:2(9Z12Z)18:2(9Z12Z))","C87H152O17P2","1531.050476462","M+2H","ISgroup_5_999_53",4880812.7,0.525
"HMDB57311",0,0,"5_1",765.51747,716.4,"Multiple",765.52469,9.43,"CL(18:022:5(4Z7Z10Z13Z16Z)22:5(7Z10Z13Z16Z19Z)16:0)","C87H150O17P2","1529.034826398","M+2H","ISgroup_5_895_52",7061188,0.517
"HMDB57301",0,0,"5_1",765.51747,716.4,"Multiple",765.52469,9.43,"CL(18:022:5(4Z7Z10Z13Z16Z)22:5(4Z7Z10Z13Z16Z)16:0)","C87H150O17P2","1529.034826398","M+2H","ISgroup_5_895_52",7061188,0.517
"HMDB57297",0,0,"5_1",766.52485,788.1,"Multiple",766.53251,9.99,"CL(18:022:5(4Z7Z10Z13Z16Z)20:4(5Z8Z11Z14Z)18:0)","C87H152O17P2","1531.050476462","M+2H","ISgroup_5_999_53",4880812.7,0.525
"HMDB57294",0,0,"5_1",766.52485,788.1,"Multiple",766.53251,9.99,"CL(18:022:5(4Z7Z10Z13Z16Z)18:2(9Z12Z)18:2(9Z12Z))","C87H152O17P2","1531.050476462","M+2H","ISgroup_5_999_53",4880812.7,0.525
"HMDB57273",0,0,"5_1",765.51747,716.4,"Multiple",765.52469,9.43,"CL(18:020:4(5Z8Z11Z14Z)22:6(4Z7Z10Z13Z16Z19Z)18:0)","C87H150O17P2","1529.034826398","M+2H","ISgroup_5_895_52",7061188,0.517
"HMDB57269",0,0,"5_1",766.52485,788.1,"Multiple",766.53251,9.99,"CL(18:020:4(5Z8Z11Z14Z)22:5(7Z10Z13Z16Z19Z)18:0)","C87H152O17P2","1531.050476462","M+2H","ISgroup_5_999_53",4880812.7,0.525
"HMDB57265",0,0,"5_1",766.52485,788.1,"Multiple",766.53251,9.99,"CL(18:020:4(5Z8Z11Z14Z)22:5(4Z7Z10Z13Z16Z)18:0)","C87H152O17P2","1531.050476462","M+2H","ISgroup_5_999_53",4880812.7,0.525
"HMDB57240",0,0,"5_1",765.51747,716.4,"Multiple",765.52469,9.43,"CL(18:020:4(5Z8Z11Z14Z)18:022:6(4Z7Z10Z13Z16Z19Z))","C87H150O17P2","1529.034826398","M+2H","ISgroup_5_895_52",7061188,0.517
"HMDB57239",0,0,"5_1",766.52485,788.1,"Multiple",766.53251,9.99,"CL(18:020:4(5Z8Z11Z14Z)18:022:5(7Z10Z13Z16Z19Z))","C87H152O17P2","1531.050476462","M+2H","ISgroup_5_999_53",4880812.7,0.525
"HMDB57238",0,0,"5_1",766.52485,788.1,"Multiple",766.53251,9.99,"CL(18:020:4(5Z8Z11Z14Z)18:022:5(4Z7Z10Z13Z16Z))","C87H152O17P2","1531.050476462","M+2H","ISgroup_5_999_53",4880812.7,0.525
"HMDB57235",0,0,"5_1",765.51747,716.4,"Multiple",765.52469,9.43,"CL(18:018:2(9Z12Z)22:6(4Z7Z10Z13Z16Z19Z)18:2(9Z12Z))","C87H150O17P2","1529.034826398","M+2H","ISgroup_5_895_52",7061188,0.517
"HMDB57231",0,0,"5_1",766.52485,788.1,"Multiple",766.53251,9.99,"CL(18:018:2(9Z12Z)22:5(7Z10Z13Z16Z19Z)18:2(9Z12Z))","C87H152O17P2","1531.050476462","M+2H","ISgroup_5_999_53",4880812.7,0.525
"HMDB57227",0,0,"5_1",766.52485,788.1,"Multiple",766.53251,9.99,"CL(18:018:2(9Z12Z)22:5(4Z7Z10Z13Z16Z)18:2(9Z12Z))","C87H152O17P2","1531.050476462","M+2H","ISgroup_5_999_53",4880812.7,0.525
"HMDB57222",0,0,"5_1",765.51747,716.4,"Multiple",765.52469,9.43,"CL(18:018:2(9Z12Z)18:2(9Z12Z)22:6(4Z7Z10Z13Z16Z19Z))","C87H150O17P2","1529.034826398","M+2H","ISgroup_5_895_52",7061188,0.517
"HMDB57221",0,0,"5_1",766.52485,788.1,"Multiple",766.53251,9.99,"CL(18:018:2(9Z12Z)18:2(9Z12Z)22:5(7Z10Z13Z16Z19Z))","C87H152O17P2","1531.050476462","M+2H","ISgroup_5_999_53",4880812.7,0.525
"HMDB57220",0,0,"5_1",766.52485,788.1,"Multiple",766.53251,9.99,"CL(18:018:2(9Z12Z)18:2(9Z12Z)22:5(4Z7Z10Z13Z16Z))","C87H152O17P2","1531.050476462","M+2H","ISgroup_5_999_53",4880812.7,0.525
"HMDB57045",0,0,"5_1",765.51747,716.4,"Multiple",765.52469,9.43,"CL(18:018:022:6(4Z7Z10Z13Z16Z19Z)20:4(5Z8Z11Z14Z))","C87H150O17P2","1529.034826398","M+2H","ISgroup_5_895_52",7061188,0.517
"HMDB57035",0,0,"5_1",766.52485,788.1,"Multiple",766.53251,9.99,"CL(18:018:022:5(7Z10Z13Z16Z19Z)20:4(5Z8Z11Z14Z))","C87H152O17P2","1531.050476462","M+2H","ISgroup_5_999_53",4880812.7,0.525
"HMDB57025",0,0,"5_1",766.52485,788.1,"Multiple",766.53251,9.99,"CL(18:018:022:5(4Z7Z10Z13Z16Z)20:4(5Z8Z11Z14Z))","C87H152O17P2","1531.050476462","M+2H","ISgroup_5_999_53",4880812.7,0.525
"HMDB57018",0,0,"5_1",765.51747,716.4,"Multiple",765.52469,9.43,"CL(18:018:020:4(5Z8Z11Z14Z)22:6(4Z7Z10Z13Z16Z19Z))","C87H150O17P2","1529.034826398","M+2H","ISgroup_5_895_52",7061188,0.517
"HMDB57017",0,0,"5_1",766.52485,788.1,"Multiple",766.53251,9.99,"CL(18:018:020:4(5Z8Z11Z14Z)22:5(7Z10Z13Z16Z19Z))","C87H152O17P2","1531.050476462","M+2H","ISgroup_5_999_53",4880812.7,0.525
"HMDB57016",0,0,"5_1",766.52485,788.1,"Multiple",766.53251,9.99,"CL(18:018:020:4(5Z8Z11Z14Z)22:5(4Z7Z10Z13Z16Z))","C87H152O17P2","1531.050476462","M+2H","ISgroup_5_999_53",4880812.7,0.525
"HMDB56990",0,0,"6_1",753.06451,816.3,"Multiple",753.06144,4.08,"CL(18:018:018:1(9Z)18:0)","C81H156O17P2","1463.08177659","M+ACN+2H","ISgroup_6_1157_7",1694698.8,0.065
"HMDB56980",0,0,"6_1",753.06451,816.3,"Multiple",753.06144,4.08,"CL(18:018:018:1(11Z)18:0)","C81H156O17P2","1463.08177659","M+ACN+2H","ISgroup_6_1157_7",1694698.8,0.065
"HMDB56963",0,0,"6_1",753.06451,816.3,"Multiple",753.06144,4.08,"CL(18:018:018:018:1(9Z))","C81H156O17P2","1463.08177659","M+ACN+2H","ISgroup_6_1157_7",1694698.8,0.065
"HMDB56962",0,0,"6_1",753.06451,816.3,"Multiple",753.06144,4.08,"CL(18:018:018:018:1(11Z))","C81H156O17P2","1463.08177659","M+ACN+2H","ISgroup_6_1157_7",1694698.8,0.065
"HMDB56960",0,0,"6_1",754.06897,757.9,"Unique",754.06926,0.38,"CL(18:018:018:018:0)","C81H158O17P2","1465.097426654","M+ACN+2H","ISgroup_6_1042_7",485109.7,0.069
"HMDB56956",0,0,"5_1",765.51747,716.4,"Multiple",765.52469,9.43,"CL(18:016:022:5(7Z10Z13Z16Z19Z)22:5(7Z10Z13Z16Z19Z))","C87H150O17P2","1529.034826398","M+2H","ISgroup_5_895_52",7061188,0.517
"HMDB56955",0,0,"5_1",765.51747,716.4,"Multiple",765.52469,9.43,"CL(18:016:022:5(7Z10Z13Z16Z19Z)22:5(4Z7Z10Z13Z16Z))","C87H150O17P2","1529.034826398","M+2H","ISgroup_5_895_52",7061188,0.517
"HMDB56952",0,0,"5_1",765.51747,716.4,"Multiple",765.52469,9.43,"CL(18:016:022:5(4Z7Z10Z13Z16Z)22:5(7Z10Z13Z16Z19Z))","C87H150O17P2","1529.034826398","M+2H","ISgroup_5_895_52",7061188,0.517
"HMDB56951",0,0,"5_1",765.51747,716.4,"Multiple",765.52469,9.43,"CL(18:016:022:5(4Z7Z10Z13Z16Z)22:5(4Z7Z10Z13Z16Z))","C87H150O17P2","1529.034826398","M+2H","ISgroup_5_895_52",7061188,0.517
"HMDB56908",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(16:022:6(4Z7Z10Z13Z16Z19Z)22:5(7Z10Z13Z16Z19Z)16:0)","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB56904",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(16:022:6(4Z7Z10Z13Z16Z19Z)22:5(4Z7Z10Z13Z16Z)16:0)","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB56899",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(16:022:6(4Z7Z10Z13Z16Z19Z)18:2(9Z12Z)18:2(9Z12Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB56879",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(16:022:5(7Z10Z13Z16Z19Z)22:6(4Z7Z10Z13Z16Z19Z)16:0)","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB56871",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(16:022:5(7Z10Z13Z16Z19Z)22:5(7Z10Z13Z16Z19Z)16:1(9Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB56870",0,0,"5_1",765.51747,716.4,"Multiple",765.52469,9.43,"CL(16:022:5(7Z10Z13Z16Z19Z)22:5(7Z10Z13Z16Z19Z)18:0)","C87H150O17P2","1529.034826398","M+2H","ISgroup_5_895_52",7061188,0.517
"HMDB56869",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(16:022:5(7Z10Z13Z16Z19Z)22:5(7Z10Z13Z16Z19Z)16:0)","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB56861",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(16:022:5(7Z10Z13Z16Z19Z)22:5(4Z7Z10Z13Z16Z)16:1(9Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB56860",0,0,"5_1",765.51747,716.4,"Multiple",765.52469,9.43,"CL(16:022:5(7Z10Z13Z16Z19Z)22:5(4Z7Z10Z13Z16Z)18:0)","C87H150O17P2","1529.034826398","M+2H","ISgroup_5_895_52",7061188,0.517
"HMDB56859",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(16:022:5(7Z10Z13Z16Z19Z)22:5(4Z7Z10Z13Z16Z)16:0)","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB56840",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(16:022:5(7Z10Z13Z16Z19Z)16:1(9Z)22:5(7Z10Z13Z16Z19Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB56839",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(16:022:5(7Z10Z13Z16Z19Z)16:1(9Z)22:5(4Z7Z10Z13Z16Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB56836",0,0,"5_1",765.51747,716.4,"Multiple",765.52469,9.43,"CL(16:022:5(7Z10Z13Z16Z19Z)18:022:5(7Z10Z13Z16Z19Z))","C87H150O17P2","1529.034826398","M+2H","ISgroup_5_895_52",7061188,0.517
"HMDB56835",0,0,"5_1",765.51747,716.4,"Multiple",765.52469,9.43,"CL(16:022:5(7Z10Z13Z16Z19Z)18:022:5(4Z7Z10Z13Z16Z))","C87H150O17P2","1529.034826398","M+2H","ISgroup_5_895_52",7061188,0.517
"HMDB56832",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(16:022:5(7Z10Z13Z16Z19Z)16:022:6(4Z7Z10Z13Z16Z19Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB56831",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(16:022:5(7Z10Z13Z16Z19Z)16:022:5(7Z10Z13Z16Z19Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB56827",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(16:022:5(4Z7Z10Z13Z16Z)22:6(4Z7Z10Z13Z16Z19Z)16:0)","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB56819",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(16:022:5(4Z7Z10Z13Z16Z)22:5(7Z10Z13Z16Z19Z)16:1(9Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB56818",0,0,"5_1",765.51747,716.4,"Multiple",765.52469,9.43,"CL(16:022:5(4Z7Z10Z13Z16Z)22:5(7Z10Z13Z16Z19Z)18:0)","C87H150O17P2","1529.034826398","M+2H","ISgroup_5_895_52",7061188,0.517
"HMDB56817",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(16:022:5(4Z7Z10Z13Z16Z)22:5(7Z10Z13Z16Z19Z)16:0)","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB56809",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(16:022:5(4Z7Z10Z13Z16Z)22:5(4Z7Z10Z13Z16Z)16:1(9Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB56808",0,0,"5_1",765.51747,716.4,"Multiple",765.52469,9.43,"CL(16:022:5(4Z7Z10Z13Z16Z)22:5(4Z7Z10Z13Z16Z)18:0)","C87H150O17P2","1529.034826398","M+2H","ISgroup_5_895_52",7061188,0.517
"HMDB56807",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(16:022:5(4Z7Z10Z13Z16Z)22:5(4Z7Z10Z13Z16Z)16:0)","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB56788",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(16:022:5(4Z7Z10Z13Z16Z)16:1(9Z)22:5(7Z10Z13Z16Z19Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB56787",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(16:022:5(4Z7Z10Z13Z16Z)16:1(9Z)22:5(4Z7Z10Z13Z16Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB56784",0,0,"5_1",765.51747,716.4,"Multiple",765.52469,9.43,"CL(16:022:5(4Z7Z10Z13Z16Z)18:022:5(7Z10Z13Z16Z19Z))","C87H150O17P2","1529.034826398","M+2H","ISgroup_5_895_52",7061188,0.517
"HMDB56783",0,0,"5_1",765.51747,716.4,"Multiple",765.52469,9.43,"CL(16:022:5(4Z7Z10Z13Z16Z)18:022:5(4Z7Z10Z13Z16Z))","C87H150O17P2","1529.034826398","M+2H","ISgroup_5_895_52",7061188,0.517
"HMDB56780",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(16:022:5(4Z7Z10Z13Z16Z)16:022:6(4Z7Z10Z13Z16Z19Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB56779",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(16:022:5(4Z7Z10Z13Z16Z)16:022:5(7Z10Z13Z16Z19Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB56778",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(16:022:5(4Z7Z10Z13Z16Z)16:022:5(4Z7Z10Z13Z16Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB56734",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(16:018:2(9Z12Z)22:6(4Z7Z10Z13Z16Z19Z)18:2(9Z12Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB56721",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(16:018:2(9Z12Z)18:2(9Z12Z)22:6(4Z7Z10Z13Z16Z19Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB56576",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(16:016:1(9Z)22:5(7Z10Z13Z16Z19Z)22:5(7Z10Z13Z16Z19Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB56575",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(16:016:1(9Z)22:5(7Z10Z13Z16Z19Z)22:5(4Z7Z10Z13Z16Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB56572",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(16:016:1(9Z)22:5(4Z7Z10Z13Z16Z)22:5(7Z10Z13Z16Z19Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB56571",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(16:016:1(9Z)22:5(4Z7Z10Z13Z16Z)22:5(4Z7Z10Z13Z16Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB56530",0,0,"5_1",765.51747,716.4,"Multiple",765.52469,9.43,"CL(16:018:022:5(7Z10Z13Z16Z19Z)22:5(7Z10Z13Z16Z19Z))","C87H150O17P2","1529.034826398","M+2H","ISgroup_5_895_52",7061188,0.517
"HMDB56529",0,0,"5_1",765.51747,716.4,"Multiple",765.52469,9.43,"CL(16:018:022:5(7Z10Z13Z16Z19Z)22:5(4Z7Z10Z13Z16Z))","C87H150O17P2","1529.034826398","M+2H","ISgroup_5_895_52",7061188,0.517
"HMDB56526",0,0,"5_1",765.51747,716.4,"Multiple",765.52469,9.43,"CL(16:018:022:5(4Z7Z10Z13Z16Z)22:5(7Z10Z13Z16Z19Z))","C87H150O17P2","1529.034826398","M+2H","ISgroup_5_895_52",7061188,0.517
"HMDB56525",0,0,"5_1",765.51747,716.4,"Multiple",765.52469,9.43,"CL(16:018:022:5(4Z7Z10Z13Z16Z)22:5(4Z7Z10Z13Z16Z))","C87H150O17P2","1529.034826398","M+2H","ISgroup_5_895_52",7061188,0.517
"HMDB56485",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(16:016:022:6(4Z7Z10Z13Z16Z19Z)22:5(7Z10Z13Z16Z19Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB56484",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(16:016:022:6(4Z7Z10Z13Z16Z19Z)22:5(4Z7Z10Z13Z16Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB56476",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(16:016:022:5(7Z10Z13Z16Z19Z)22:6(4Z7Z10Z13Z16Z19Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB56475",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(16:016:022:5(7Z10Z13Z16Z19Z)22:5(7Z10Z13Z16Z19Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB56474",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(16:016:022:5(7Z10Z13Z16Z19Z)22:5(4Z7Z10Z13Z16Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB56466",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(16:016:022:5(4Z7Z10Z13Z16Z)22:6(4Z7Z10Z13Z16Z19Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB56465",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(16:016:022:5(4Z7Z10Z13Z16Z)22:5(7Z10Z13Z16Z19Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB56464",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(16:016:022:5(4Z7Z10Z13Z16Z)22:5(4Z7Z10Z13Z16Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB56343",0,0,"5_1",363.31018,974.4,"Multiple",363.30756,7.21,"DG(22:2n60:022:4n6)","C47H80O5","724.60057567","M+2H","ISgroup_5_1328_32",10622799.3,0.31
"HMDB56280",0,0,"5_1",377.326,1018.1,"Multiple",377.32321,7.39,"DG(24:1n90:022:5n3)","C49H84O5","752.631875798","M+2H","ISgroup_5_1385_33",25130779.9,0.326
"HMDB56279",0,0,"5_1",363.31018,974.4,"Multiple",363.30756,7.21,"DG(24:1n90:020:5n3)","C47H80O5","724.60057567","M+2H","ISgroup_5_1328_32",10622799.3,0.31
"HMDB56275",0,0,"5_1",377.326,1018.1,"Multiple",377.32321,7.39,"DG(24:1n90:022:5n6)","C49H84O5","752.631875798","M+2H","ISgroup_5_1385_33",25130779.9,0.326
"HMDB56265",0,0,"5_1",363.31018,974.4,"Multiple",363.30756,7.21,"DG(22:1n90:022:5n3)","C47H80O5","724.60057567","M+2H","ISgroup_5_1328_32",10622799.3,0.31
"HMDB56260",0,0,"5_1",363.31018,974.4,"Multiple",363.30756,7.21,"DG(22:1n90:022:5n6)","C47H80O5","724.60057567","M+2H","ISgroup_5_1328_32",10622799.3,0.31
"HMDB56133",0,0,"5_1",377.326,1018.1,"Multiple",377.32321,7.39,"DG(24:00:022:6n3)","C49H84O5","752.631875798","M+2H","ISgroup_5_1385_33",25130779.9,0.326
"HMDB56110",0,0,"5_1",363.31018,974.4,"Multiple",363.30756,7.21,"DG(22:00:022:6n3)","C47H80O5","724.60057567","M+2H","ISgroup_5_1328_32",10622799.3,0.31
"HMDB56050",0,0,"2_1",326.79835,762.3,"Multiple",326.79736,3.03,"DG(18:00:020:2n6)","C40H74O5","634.553625478","M+H+NH4","ISgroup_2_1003_80",307736.2,0.798
"HMDB56048",0,0,"2_1",326.79835,762.3,"Multiple",326.79736,3.03,"DG(18:00:018:2n6)","C40H74O5","634.553625478","M+H+NH4","ISgroup_2_1003_80",307736.2,0.798
"HMDB56000",0,0,"2_1",326.79835,762.3,"Multiple",326.79736,3.03,"DG(15:00:022:2n6)","C40H74O5","634.553625478","M+H+NH4","ISgroup_2_1003_80",307736.2,0.798
"HMDB55984",0,0,"2_1",326.79835,762.3,"Multiple",326.79736,3.03,"DG(15:00:020:0)","C38H74O5","610.553625478","M+ACN+2H","ISgroup_2_1003_80",307736.2,0.798
"HMDB55928",0,0,"5_1",474.9227,764.7,"Multiple",474.92256,0.29,"TG(22:6(4Z7Z10Z13Z16Z19Z)20:2n6o-18:0)","C62H106O5","930.804026502","M+H+NH4","ISgroup_5_963_93",25923515.2,0.923
"HMDB55924",0,0,"5_1",474.9227,764.7,"Multiple",474.92256,0.29,"TG(22:6(4Z7Z10Z13Z16Z19Z)18:2(9Z12Z)o-18:0)","C62H106O5","930.804026502","M+H+NH4","ISgroup_5_963_93",25923515.2,0.923
"HMDB55846",0,0,"5_1",533.44314,1099.4,"Multiple",533.44587,5.12,"TG(22:5(7Z10Z13Z16Z19Z)24:1(15Z)22:5(7Z10Z13Z16Z19Z))","C71H116O6","1064.877191444","M+2H","ISgroup_5_1510_45",310891151.9,0.443
"HMDB55823",0,0,"5_1",533.44314,1099.4,"Multiple",533.44587,5.12,"TG(22:5(7Z10Z13Z16Z19Z)24:022:6(4Z7Z10Z13Z16Z19Z))","C71H116O6","1064.877191444","M+2H","ISgroup_5_1510_45",310891151.9,0.443
"HMDB55756",0,0,"2_1",453.39775,1054.1,"Multiple",453.40146,8.18,"TG(20:5(5Z8Z11Z14Z17Z)20:2n6o-18:0)","C60H104O5","904.788376438","M+2H","ISgroup_2_1543_40",25525867.8,0.398
"HMDB55748",0,0,"2_1",453.39775,1054.1,"Multiple",453.40146,8.18,"TG(20:5(5Z8Z11Z14Z17Z)18:2(9Z12Z)o-18:0)","C60H104O5","904.788376438","M+2H","ISgroup_2_1543_40",25525867.8,0.398
"HMDB55625",0,0,"5_1",474.9227,764.7,"Multiple",474.92256,0.29,"TG(20:4(8Z11Z14Z17Z)20:2n6o-18:0)","C60H106O5","906.804026502","M+ACN+2H","ISgroup_5_963_93",25923515.2,0.923
"HMDB55615",0,0,"5_1",474.9227,764.7,"Multiple",474.92256,0.29,"TG(20:4(8Z11Z14Z17Z)18:2(9Z12Z)o-18:0)","C60H106O5","906.804026502","M+ACN+2H","ISgroup_5_963_93",25923515.2,0.923
"HMDB55542",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(20:4(8Z11Z14Z17Z)15:020:5(5Z8Z11Z14Z17Z))","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB55366",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(18:4(6Z9Z12Z15Z)15:022:5(7Z10Z13Z16Z19Z))","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB55268",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(18:3(9Z12Z15Z)20:2n618:4(6Z9Z12Z15Z))","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB55254",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(18:3(9Z12Z15Z)18:2(9Z12Z)18:4(6Z9Z12Z15Z))","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB55160",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(18:3(9Z12Z15Z)15:022:6(4Z7Z10Z13Z16Z19Z))","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB55157",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(18:3(9Z12Z15Z)15:020:4(8Z11Z14Z17Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB55026",0,0,"5_1",533.44314,1099.4,"Multiple",533.44587,5.12,"TG(22:5(4Z7Z10Z13Z16Z)24:1(15Z)22:5(7Z10Z13Z16Z19Z))","C71H116O6","1064.877191444","M+2H","ISgroup_5_1510_45",310891151.9,0.443
"HMDB55021",0,0,"5_1",533.44314,1099.4,"Multiple",533.44587,5.12,"TG(22:5(4Z7Z10Z13Z16Z)24:1(15Z)22:5(4Z7Z10Z13Z16Z))","C71H116O6","1064.877191444","M+2H","ISgroup_5_1510_45",310891151.9,0.443
"HMDB54963",0,0,"5_1",533.44314,1099.4,"Multiple",533.44587,5.12,"TG(22:5(4Z7Z10Z13Z16Z)24:022:6(4Z7Z10Z13Z16Z19Z))","C71H116O6","1064.877191444","M+2H","ISgroup_5_1510_45",310891151.9,0.443
"HMDB54919",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(22:5(4Z7Z10Z13Z16Z)15:018:4(6Z9Z12Z15Z))","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB54773",0,0,"5_1",533.44314,1099.4,"Multiple",533.44587,5.12,"TG(22:4(7Z10Z13Z16Z)24:1(15Z)22:6(4Z7Z10Z13Z16Z19Z))","C71H116O6","1064.877191444","M+2H","ISgroup_5_1510_45",310891151.9,0.443
"HMDB54209",0,0,"5_1",474.9227,764.7,"Multiple",474.92256,0.29,"TG(20:4(5Z8Z11Z14Z)20:2n6o-18:0)","C60H106O5","906.804026502","M+ACN+2H","ISgroup_5_963_93",25923515.2,0.923
"HMDB54187",0,0,"5_1",474.9227,764.7,"Multiple",474.92256,0.29,"TG(20:4(5Z8Z11Z14Z)18:2(9Z12Z)o-18:0)","C60H106O5","906.804026502","M+ACN+2H","ISgroup_5_963_93",25923515.2,0.923
"HMDB54030",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(20:4(5Z8Z11Z14Z)15:020:5(5Z8Z11Z14Z17Z))","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB54027",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(20:4(5Z8Z11Z14Z)15:018:3(9Z12Z15Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB53671",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(20:3n615:018:4(6Z9Z12Z15Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB53652",0,0,"5_1",474.9227,764.7,"Multiple",474.92256,0.29,"TG(20:2n6o-18:022:6(4Z7Z10Z13Z16Z19Z))","C62H106O5","930.804026502","M+H+NH4","ISgroup_5_963_93",25923515.2,0.923
"HMDB53650",0,0,"2_1",453.39775,1054.1,"Multiple",453.40146,8.18,"TG(20:2n6o-18:020:5(5Z8Z11Z14Z17Z))","C60H104O5","904.788376438","M+2H","ISgroup_2_1543_40",25525867.8,0.398
"HMDB53649",0,0,"5_1",474.9227,764.7,"Multiple",474.92256,0.29,"TG(20:2n6o-18:020:4(8Z11Z14Z17Z))","C60H106O5","906.804026502","M+ACN+2H","ISgroup_5_963_93",25923515.2,0.923
"HMDB53643",0,0,"5_1",474.9227,764.7,"Multiple",474.92256,0.29,"TG(20:2n6o-18:020:4(5Z8Z11Z14Z))","C60H106O5","906.804026502","M+ACN+2H","ISgroup_5_963_93",25923515.2,0.923
"HMDB53640",0,0,"5_1",474.9227,764.7,"Multiple",474.92256,0.29,"TG(20:2n622:6(4Z7Z10Z13Z16Z19Z)o-18:0)","C62H106O5","930.804026502","M+H+NH4","ISgroup_5_963_93",25923515.2,0.923
"HMDB53614",0,0,"2_1",453.39775,1054.1,"Multiple",453.40146,8.18,"TG(20:2n620:5(5Z8Z11Z14Z17Z)o-18:0)","C60H104O5","904.788376438","M+2H","ISgroup_2_1543_40",25525867.8,0.398
"HMDB53601",0,0,"5_1",474.9227,764.7,"Multiple",474.92256,0.29,"TG(20:2n620:4(8Z11Z14Z17Z)o-18:0)","C60H106O5","906.804026502","M+ACN+2H","ISgroup_5_963_93",25923515.2,0.923
"HMDB53582",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(20:2n618:4(6Z9Z12Z15Z)18:3(9Z12Z15Z))","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB53570",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(20:2n618:3(9Z12Z15Z)18:4(6Z9Z12Z15Z))","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB53523",0,0,"5_1",474.9227,764.7,"Multiple",474.92256,0.29,"TG(20:2n620:4(5Z8Z11Z14Z)o-18:0)","C60H106O5","906.804026502","M+ACN+2H","ISgroup_5_963_93",25923515.2,0.923
"HMDB53479",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(20:2n618:3(6Z9Z12Z)18:4(6Z9Z12Z15Z))","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB53375",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(20:2n616:1(9Z)18:4(6Z9Z12Z15Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB53366",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(20:2n614:1(9Z)22:6(4Z7Z10Z13Z16Z19Z))","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB53363",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(20:2n614:1(9Z)20:4(8Z11Z14Z17Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB53357",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(20:2n614:1(9Z)20:4(5Z8Z11Z14Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB53273",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(20:2n614:020:5(5Z8Z11Z14Z17Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB53182",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(18:3(6Z9Z12Z)18:4(6Z9Z12Z15Z)20:2n6)","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB53091",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(18:3(6Z9Z12Z)20:2n618:4(6Z9Z12Z15Z))","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB53063",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(18:3(6Z9Z12Z)18:2(9Z12Z)18:4(6Z9Z12Z15Z))","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB52871",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(18:3(6Z9Z12Z)15:022:6(4Z7Z10Z13Z16Z19Z))","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB52868",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(18:3(6Z9Z12Z)15:020:4(8Z11Z14Z17Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB52862",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(18:3(6Z9Z12Z)15:020:4(5Z8Z11Z14Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB52844",0,0,"5_1",474.9227,764.7,"Multiple",474.92256,0.29,"TG(18:2(9Z12Z)o-18:022:6(4Z7Z10Z13Z16Z19Z))","C62H106O5","930.804026502","M+H+NH4","ISgroup_5_963_93",25923515.2,0.923
"HMDB52842",0,0,"2_1",453.39775,1054.1,"Multiple",453.40146,8.18,"TG(18:2(9Z12Z)o-18:020:5(5Z8Z11Z14Z17Z))","C60H104O5","904.788376438","M+2H","ISgroup_2_1543_40",25525867.8,0.398
"HMDB52841",0,0,"5_1",474.9227,764.7,"Multiple",474.92256,0.29,"TG(18:2(9Z12Z)o-18:020:4(8Z11Z14Z17Z))","C60H106O5","906.804026502","M+ACN+2H","ISgroup_5_963_93",25923515.2,0.923
"HMDB52835",0,0,"5_1",474.9227,764.7,"Multiple",474.92256,0.29,"TG(18:2(9Z12Z)o-18:020:4(5Z8Z11Z14Z))","C60H106O5","906.804026502","M+ACN+2H","ISgroup_5_963_93",25923515.2,0.923
"HMDB52830",0,0,"5_1",474.9227,764.7,"Multiple",474.92256,0.29,"TG(18:2(9Z12Z)22:6(4Z7Z10Z13Z16Z19Z)o-18:0)","C62H106O5","930.804026502","M+H+NH4","ISgroup_5_963_93",25923515.2,0.923
"HMDB52800",0,0,"2_1",453.39775,1054.1,"Multiple",453.40146,8.18,"TG(18:2(9Z12Z)20:5(5Z8Z11Z14Z17Z)o-18:0)","C60H104O5","904.788376438","M+2H","ISgroup_2_1543_40",25525867.8,0.398
"HMDB52785",0,0,"5_1",474.9227,764.7,"Multiple",474.92256,0.29,"TG(18:2(9Z12Z)20:4(8Z11Z14Z17Z)o-18:0)","C60H106O5","906.804026502","M+ACN+2H","ISgroup_5_963_93",25923515.2,0.923
"HMDB52764",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(18:2(9Z12Z)18:4(6Z9Z12Z15Z)18:3(9Z12Z15Z))","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB52757",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(18:2(9Z12Z)18:4(6Z9Z12Z15Z)18:3(6Z9Z12Z))","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB52750",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(18:2(9Z12Z)18:3(9Z12Z15Z)18:4(6Z9Z12Z15Z))","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB52695",0,0,"5_1",474.9227,764.7,"Multiple",474.92256,0.29,"TG(18:2(9Z12Z)20:4(5Z8Z11Z14Z)o-18:0)","C60H106O5","906.804026502","M+ACN+2H","ISgroup_5_963_93",25923515.2,0.923
"HMDB52645",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(18:2(9Z12Z)18:3(6Z9Z12Z)18:4(6Z9Z12Z15Z))","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB52525",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(18:2(9Z12Z)16:1(9Z)18:4(6Z9Z12Z15Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB52514",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(18:2(9Z12Z)14:1(9Z)22:6(4Z7Z10Z13Z16Z19Z))","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB52511",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(18:2(9Z12Z)14:1(9Z)20:4(8Z11Z14Z17Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB52505",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(18:2(9Z12Z)14:1(9Z)20:4(5Z8Z11Z14Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB52407",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(18:2(9Z12Z)14:020:5(5Z8Z11Z14Z17Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB52372",0,0,"5_1",533.44314,1099.4,"Multiple",533.44587,5.12,"TG(24:1(15Z)22:6(4Z7Z10Z13Z16Z19Z)22:4(7Z10Z13Z16Z))","C71H116O6","1064.877191444","M+2H","ISgroup_5_1510_45",310891151.9,0.443
"HMDB52362",0,0,"5_1",533.44314,1099.4,"Multiple",533.44587,5.12,"TG(24:1(15Z)22:5(7Z10Z13Z16Z19Z)22:5(7Z10Z13Z16Z19Z))","C71H116O6","1064.877191444","M+2H","ISgroup_5_1510_45",310891151.9,0.443
"HMDB52357",0,0,"5_1",533.44314,1099.4,"Multiple",533.44587,5.12,"TG(24:1(15Z)22:5(7Z10Z13Z16Z19Z)22:5(4Z7Z10Z13Z16Z))","C71H116O6","1064.877191444","M+2H","ISgroup_5_1510_45",310891151.9,0.443
"HMDB52282",0,0,"5_1",533.44314,1099.4,"Multiple",533.44587,5.12,"TG(24:1(15Z)22:5(4Z7Z10Z13Z16Z)22:5(7Z10Z13Z16Z19Z))","C71H116O6","1064.877191444","M+2H","ISgroup_5_1510_45",310891151.9,0.443
"HMDB52277",0,0,"5_1",533.44314,1099.4,"Multiple",533.44587,5.12,"TG(24:1(15Z)22:5(4Z7Z10Z13Z16Z)22:5(4Z7Z10Z13Z16Z))","C71H116O6","1064.877191444","M+2H","ISgroup_5_1510_45",310891151.9,0.443
"HMDB52267",0,0,"5_1",533.44314,1099.4,"Multiple",533.44587,5.12,"TG(24:1(15Z)22:4(7Z10Z13Z16Z)22:6(4Z7Z10Z13Z16Z19Z))","C71H116O6","1064.877191444","M+2H","ISgroup_5_1510_45",310891151.9,0.443
"HMDB50899",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(20:3(5Z8Z11Z)15:018:4(6Z9Z12Z15Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB50433",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(20:1(11Z)14:1(9Z)20:1(11Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB50325",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(20:1(11Z)15:020:2n6)","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB50323",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(20:1(11Z)15:018:2(9Z12Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB49862",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(18:1(9Z)16:1(9Z)20:1(11Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB49844",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(18:1(9Z)14:1(9Z)22:1(13Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB49711",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(18:1(9Z)14:022:2(13Z16Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB49283",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(18:1(11Z)18:1(9Z)18:1(9Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB49282",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(18:1(11Z)18:1(9Z)18:1(11Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB49262",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(18:1(11Z)18:1(11Z)18:1(9Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB49261",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(18:1(11Z)18:1(11Z)18:1(11Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB49242",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(18:1(11Z)16:1(9Z)20:1(11Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB49223",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(18:1(11Z)14:1(9Z)22:1(13Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB49083",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(18:1(11Z)14:022:2(13Z16Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB48950",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(16:1(9Z)18:4(6Z9Z12Z15Z)20:2n6)","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB48948",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(16:1(9Z)18:4(6Z9Z12Z15Z)18:2(9Z12Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB48803",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(16:1(9Z)20:2n618:4(6Z9Z12Z15Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB48759",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(16:1(9Z)18:2(9Z12Z)18:4(6Z9Z12Z15Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB48699",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(16:1(9Z)22:1(13Z)16:1(9Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB48657",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(16:1(9Z)20:1(11Z)18:1(9Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB48656",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(16:1(9Z)20:1(11Z)18:1(11Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB48614",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(16:1(9Z)18:1(11Z)20:1(11Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB48594",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(16:1(9Z)16:1(9Z)22:1(13Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB48573",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(16:1(9Z)14:1(9Z)24:1(15Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB48469",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(16:1(9Z)16:022:2(13Z16Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB48455",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(16:1(9Z)15:022:6(4Z7Z10Z13Z16Z19Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB48378",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(14:1(9Z)22:6(4Z7Z10Z13Z16Z19Z)20:2n6)","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB48376",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(14:1(9Z)22:6(4Z7Z10Z13Z16Z19Z)18:2(9Z12Z))","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB48309",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(14:1(9Z)20:4(8Z11Z14Z17Z)20:2n6)","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB48307",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(14:1(9Z)20:4(8Z11Z14Z17Z)18:2(9Z12Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB48171",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(14:1(9Z)20:4(5Z8Z11Z14Z)20:2n6)","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB48169",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(14:1(9Z)20:4(5Z8Z11Z14Z)18:2(9Z12Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB48136",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(14:1(9Z)20:2n622:6(4Z7Z10Z13Z16Z19Z))","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB48133",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(14:1(9Z)20:2n620:4(8Z11Z14Z17Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB48127",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(14:1(9Z)20:2n620:4(5Z8Z11Z14Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB48090",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(14:1(9Z)18:2(9Z12Z)22:6(4Z7Z10Z13Z16Z19Z))","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB48087",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(14:1(9Z)18:2(9Z12Z)20:4(8Z11Z14Z17Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB48081",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(14:1(9Z)18:2(9Z12Z)20:4(5Z8Z11Z14Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB48047",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(14:1(9Z)24:1(15Z)16:1(9Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB48026",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(14:1(9Z)22:1(13Z)18:1(9Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB48025",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(14:1(9Z)22:1(13Z)18:1(11Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB47981",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(14:1(9Z)20:1(11Z)20:1(11Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB47960",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(14:1(9Z)18:1(9Z)22:1(13Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB47937",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(14:1(9Z)18:1(11Z)22:1(13Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB47915",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(14:1(9Z)16:1(9Z)24:1(15Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB47806",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(14:1(9Z)18:022:2(13Z16Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB47698",0,0,"5_1",533.44314,1099.4,"Multiple",533.44587,5.12,"TG(24:022:6(4Z7Z10Z13Z16Z19Z)22:5(7Z10Z13Z16Z19Z))","C71H116O6","1064.877191444","M+2H","ISgroup_5_1510_45",310891151.9,0.443
"HMDB47693",0,0,"5_1",533.44314,1099.4,"Multiple",533.44587,5.12,"TG(24:022:6(4Z7Z10Z13Z16Z19Z)22:5(4Z7Z10Z13Z16Z))","C71H116O6","1064.877191444","M+2H","ISgroup_5_1510_45",310891151.9,0.443
"HMDB47675",0,0,"5_1",533.44314,1099.4,"Multiple",533.44587,5.12,"TG(24:022:5(7Z10Z13Z16Z19Z)22:6(4Z7Z10Z13Z16Z19Z))","C71H116O6","1064.877191444","M+2H","ISgroup_5_1510_45",310891151.9,0.443
"HMDB47555",0,0,"5_1",533.44314,1099.4,"Multiple",533.44587,5.12,"TG(24:022:5(4Z7Z10Z13Z16Z)22:6(4Z7Z10Z13Z16Z19Z))","C71H116O6","1064.877191444","M+2H","ISgroup_5_1510_45",310891151.9,0.443
"HMDB47006",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(24:014:014:1(9Z))","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB46308",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(22:016:014:1(9Z))","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB46274",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(22:014:018:3(9Z12Z15Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB46267",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(22:014:018:3(6Z9Z12Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB46259",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(22:014:016:1(9Z))","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB45558",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(20:018:014:1(9Z))","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB45548",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(20:016:018:3(9Z12Z15Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB45541",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(20:016:018:3(6Z9Z12Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB45533",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(20:016:016:1(9Z))","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB45491",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(20:014:020:3n6)","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB45485",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(20:014:020:3(5Z8Z11Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB45483",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(20:014:018:1(9Z))","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB45482",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(20:014:018:1(11Z))","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB45289",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(18:018:3(9Z12Z15Z)18:0)","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB45212",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(18:022:2(13Z16Z)14:1(9Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB45100",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(18:018:3(6Z9Z12Z)18:0)","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB44884",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(18:016:1(9Z)18:0)","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB44874",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(18:014:1(9Z)22:2(13Z16Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB44858",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(18:014:1(9Z)20:0)","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB44780",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(18:020:014:1(9Z))","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB44769",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(18:018:018:3(9Z12Z15Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB44762",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(18:018:018:3(6Z9Z12Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB44754",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(18:018:016:1(9Z))","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB44737",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(18:016:020:3n6)","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB44731",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(18:016:020:3(5Z8Z11Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB44729",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(18:016:018:1(9Z))","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB44676",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(18:014:020:1(11Z))","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB44475",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(16:018:3(9Z12Z15Z)20:0)","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB44395",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(16:022:2(13Z16Z)16:1(9Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB44334",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(16:020:3n618:0)","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB44279",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(16:018:3(6Z9Z12Z)20:0)","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB44166",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(16:020:3(5Z8Z11Z)18:0)","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB44137",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(16:020:1(11Z)16:0)","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB44110",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(16:018:1(9Z)18:0)","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB44082",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(16:018:1(11Z)18:0)","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB44071",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(16:016:1(9Z)22:2(13Z16Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB44028",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(16:014:1(9Z)22:0)","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB43974",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(16:022:014:1(9Z))","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB43962",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(16:020:018:3(9Z12Z15Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB43955",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(16:020:018:3(6Z9Z12Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB43947",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(16:020:016:1(9Z))","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB43929",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(16:018:020:3n6)","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB43923",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(16:018:020:3(5Z8Z11Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB43920",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(16:018:018:1(11Z))","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB43840",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(16:014:022:1(13Z))","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB43794",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(15:022:6(4Z7Z10Z13Z16Z19Z)18:3(9Z12Z15Z))","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB43787",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(15:022:6(4Z7Z10Z13Z16Z19Z)18:3(6Z9Z12Z))","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB43779",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(15:022:6(4Z7Z10Z13Z16Z19Z)16:1(9Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB43766",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(15:022:5(7Z10Z13Z16Z19Z)18:4(6Z9Z12Z15Z))","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB43738",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(15:020:5(5Z8Z11Z14Z17Z)20:4(8Z11Z14Z17Z))","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB43732",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(15:020:5(5Z8Z11Z14Z17Z)20:4(5Z8Z11Z14Z))","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB43710",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(15:020:4(8Z11Z14Z17Z)20:5(5Z8Z11Z14Z17Z))","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB43707",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(15:020:4(8Z11Z14Z17Z)18:3(9Z12Z15Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB43700",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(15:020:4(8Z11Z14Z17Z)18:3(6Z9Z12Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB43682",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(15:018:4(6Z9Z12Z15Z)22:5(7Z10Z13Z16Z19Z))","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB43677",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(15:018:4(6Z9Z12Z15Z)22:5(4Z7Z10Z13Z16Z))","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB43673",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(15:018:4(6Z9Z12Z15Z)20:3n6)","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB43667",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(15:018:4(6Z9Z12Z15Z)20:3(5Z8Z11Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB43654",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(15:018:3(9Z12Z15Z)22:6(4Z7Z10Z13Z16Z19Z))","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB43651",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(15:018:3(9Z12Z15Z)20:4(8Z11Z14Z17Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB43645",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(15:018:3(9Z12Z15Z)20:4(5Z8Z11Z14Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB43621",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(15:022:5(4Z7Z10Z13Z16Z)18:4(6Z9Z12Z15Z))","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB43536",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(15:020:4(5Z8Z11Z14Z)20:5(5Z8Z11Z14Z17Z))","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB43533",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(15:020:4(5Z8Z11Z14Z)18:3(9Z12Z15Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB43526",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(15:020:4(5Z8Z11Z14Z)18:3(6Z9Z12Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB43505",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(15:020:3n618:4(6Z9Z12Z15Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB43463",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(15:020:2n620:1(11Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB43451",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(15:018:3(6Z9Z12Z)22:6(4Z7Z10Z13Z16Z19Z))","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB43448",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(15:018:3(6Z9Z12Z)20:4(8Z11Z14Z17Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB43442",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(15:018:3(6Z9Z12Z)20:4(5Z8Z11Z14Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB43405",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(15:018:2(9Z12Z)20:1(11Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB43337",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(15:022:1(13Z)15:0)","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB43331",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(15:020:3(5Z8Z11Z)18:4(6Z9Z12Z15Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB43295",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(15:020:1(11Z)20:2n6)","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB43293",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(15:020:1(11Z)18:2(9Z12Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB43219",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(15:016:1(9Z)22:6(4Z7Z10Z13Z16Z19Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB43001",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(15:015:022:1(13Z))","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB42858",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(14:020:5(5Z8Z11Z14Z17Z)20:2n6)","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB42856",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(14:020:5(5Z8Z11Z14Z17Z)18:2(9Z12Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB42756",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(14:018:3(9Z12Z15Z)22:0)","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB42671",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(14:022:2(13Z16Z)18:1(9Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB42670",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(14:022:2(13Z16Z)18:1(11Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB42605",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(14:020:3n620:0)","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB42597",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(14:020:2n620:5(5Z8Z11Z14Z17Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB42546",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(14:018:3(6Z9Z12Z)22:0)","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB42537",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(14:018:2(9Z12Z)20:5(5Z8Z11Z14Z17Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB42481",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(14:024:1(15Z)14:0)","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB42453",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(14:022:1(13Z)16:0)","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB42425",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(14:020:3(5Z8Z11Z)20:0)","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB42394",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(14:020:1(11Z)18:0)","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB42381",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(14:018:1(9Z)22:2(13Z16Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB42365",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(14:018:1(9Z)20:0)","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB42351",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(14:018:1(11Z)22:2(13Z16Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB42335",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(14:018:1(11Z)20:0)","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB42306",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(14:016:1(9Z)22:0)","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB42277",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(14:014:1(9Z)24:0)","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB42248",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(14:024:014:1(9Z))","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB42234",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(14:022:018:3(9Z12Z15Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB42227",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(14:022:018:3(6Z9Z12Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB42219",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(14:022:016:1(9Z))","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB42199",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(14:020:020:3n6)","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB42193",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(14:020:020:3(5Z8Z11Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB42191",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(14:020:018:1(9Z))","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB42190",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(14:020:018:1(11Z))","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB42162",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(14:018:020:1(11Z))","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB42134",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(14:016:022:1(13Z))","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB42075",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(14:014:024:1(15Z))","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB41867",0,0,"5_1",152.54526,1046.3,"Multiple",152.546,4.85,"Demoxepam","C15H11ClN2O2","286.050905313","M+H+NH4","ISgroup_5_1417_55",6847597,0.545
"HMDB41767",0,0,"10_1",238.07819,594.8,"Multiple",238.07729,3.78,"Peonidin 3-xyloside","C21H21O10","433.113471892","M+ACN+2H","ISgroup_10_694_8",9538920.9,0.078
"HMDB41761",0,0,"1_1",225.05975,704.7,"Multiple",225.05756,9.73,"Naringenin 7-O-glucuronide","C21H20O11","448.100561482","M+2H","ISgroup_1_927_6",249431945.6,0.06
"HMDB41760",0,0,"1_1",225.05975,704.7,"Multiple",225.05756,9.73,"Naringenin 5-O-glucuronide","C21H20O11","448.100561482","M+2H","ISgroup_1_927_6",249431945.6,0.06
"HMDB41759",0,0,"1_1",225.05975,704.7,"Multiple",225.05756,9.73,"Naringenin 4-O-glucuronide","C21H20O11","448.100561482","M+2H","ISgroup_1_927_6",249431945.6,0.06
"HMDB41755",0,0,"10_1",238.07819,594.8,"Multiple",238.07729,3.78,"Isopeonidin 3-xyloside","C21H21O10","433.113471892","M+ACN+2H","ISgroup_10_694_8",9538920.9,0.078
"HMDB41750",0,0,"10_1",238.07819,594.8,"Multiple",238.07729,3.78,"Isopeonidin 3-arabinoside","C21H21O10","433.113471892","M+ACN+2H","ISgroup_10_694_8",9538920.9,0.078
"HMDB41702",0,0,"5_1",152.54526,1046.3,"Multiple",152.54442,5.51,"7834-Tetrahydroxyisoflavone","C15H10O6","286.047738052","M+H+NH4","ISgroup_5_1417_55",6847597,0.545
"HMDB41688",0,0,"5_1",152.54526,1046.3,"Multiple",152.54442,5.51,"5674-Tetrahydroxyisoflavone","C15H10O6","286.047738052","M+H+NH4","ISgroup_5_1417_55",6847597,0.545
"HMDB41658",0,0,"5_1",152.54526,1046.3,"Multiple",152.54442,5.51,"3-Hydroxygenistein","C15H10O6","286.047738052","M+H+NH4","ISgroup_5_1417_55",6847597,0.545
"HMDB41535",0,0,"5_1",256.08507,299.8,"Unique",256.08357,5.86,"Piperenol A triacetate","C27H26O10","510.152597052","M+2H","ISgroup_5_113_9",21223943.8,0.085
"HMDB41495",0,0,"10_1",182.12916,310.8,"Multiple",182.13013,5.33,"ent-16a-Hydroxy-17-acetoxy-19-kauranal","C22H34O4","362.245709576","M+2H","ISgroup_10_151_13",1647754714.9,0.129
"HMDB41247",0,0,"5_1",171.54888,1062,"Unique",171.54821,3.91,"Alkaloid A6","C19H16ClNO3","341.08187109","M+2H","ISgroup_5_1446_55",1776531.3,0.549
"HMDB41246",0,0,"2_1",327.14867,842.1,"Unique",327.14651,6.6,"Secoisotetrandrine","C38H40N2O8","652.278466266","M+2H","ISgroup_2_1152_15",46881896.5,0.149
"HMDB41222",0,0,"11_1",230.08948,738,"Multiple",230.08905,1.87,"a-L-Fucopyranosyl-(1-2)-b-D-galactopyranosyl-(1-2)-D-xylose","C17H30O14","458.163555668","M+2H","ISgroup_11_392_9",36772521.3,0.089
"HMDB41170",0,0,"10_1",238.07819,594.8,"Multiple",238.07729,3.78,"Pelargonidin 5-galactoside","C21H21O10","433.113471892","M+ACN+2H","ISgroup_10_694_8",9538920.9,0.078
"HMDB41088",0,0,"5_1",254.10752,607.1,"Unique",254.10993,9.48,"(E)-Squamosamide","C26H27NO7","465.178752223","M+ACN+2H","ISgroup_5_702_11",160680985.4,0.108
"HMDB40791",0,0,"10_1",288.12145,379.2,"Multiple",288.12303,5.48,"Acrimarine N","C32H31NO8","557.204966973","M+H+NH4","ISgroup_10_279_13",14669862.1,0.121
"HMDB40546",0,0,"10_1",202.08586,569.8,"Multiple",202.08424,8.02,"Pyriminobac-methyl","C17H19N3O6","361.127385355","M+ACN+2H","ISgroup_10_645_9",24738771.9,0.086
"HMDB40495",0,0,"1_1",310.20496,712.2,"Multiple",310.2033,5.35,"cis-p-Coumaroylcorosolic acid","C39H54O6","618.39203946","M+2H","ISgroup_1_940_21",57198886.7,0.205
"HMDB40182",0,0,"2_1",334.11633,775.4,"Multiple",334.11821,5.63,"Fagopyritol A3","C24H42O21","666.221858406","M+2H","ISgroup_2_1024_12",9748008,0.116
"HMDB40114",0,0,"5_1",141.10664,1033.4,"Multiple",141.10594,4.96,"2-Octyl-4-propylthiazole","C14H25NS","239.170770495","M+ACN+2H","ISgroup_5_1402_11",3858827.1,0.107
"HMDB40095",0,0,"5_1",141.10664,1033.4,"Multiple",141.10594,4.96,"5-Ethyl-4-methyl-2-octylthiazole","C14H25NS","239.170770495","M+ACN+2H","ISgroup_5_1402_11",3858827.1,0.107
"HMDB39896",0,0,"5_1",204.08377,609.7,"Unique",204.08371,0.29,"xi-8-Acetonyldihydrosanguinarine","C23H19NO5","389.126322723","M+H+NH4","ISgroup_5_707_9",7013446.1,0.084
"HMDB39853",0,0,"5_1",119.98073,1062.6,"Unique",119.98065,0.67,"356-Trichloro-2-pyridinol","C5H2Cl3NO","196.920196812","M+ACN+2H","ISgroup_5_1446_99",603534.4,0.981
"HMDB39751",0,0,"3_1",282.57651,1249.9,"Unique",282.57396,9.02,"alpha-D-Galactopyranuronosyl-(1-4)-alpha-D-galactopyranuronosyl-(1-4)-D-galacturonic acid","C18H26O19","546.10682865","M+H+NH4","ISgroup_3_1771_58",699686.8,0.577
"HMDB39649",0,0,"9_1",258.15312,737.3,"Multiple",258.1538,2.63,"Ganoderic acid V1","C30H42O7","514.293053698","M+2H","ISgroup_9_997_16",141807700.5,0.153
"HMDB39642",0,0,"11_1",241.70519,540.1,"Multiple",241.70327,7.94,"Rofficerone","C30H48O2","440.36543078","M+ACN+2H","ISgroup_11_1_71",213924.9,0.705
"HMDB39641",0,0,"9_1",258.15312,737.3,"Multiple",258.1538,2.63,"Ganoderic acid J","C30H42O7","514.293053698","M+2H","ISgroup_9_997_16",141807700.5,0.153
"HMDB39566",0,0,"8_1",263.57242,1209.6,"Multiple",263.57083,6.03,"BL III","C26H20O11","508.100561482","M+H+NH4","ISgroup_8_174_58",1021211.1,0.572
"HMDB39425",0,0,"2_1",214.18037,602.2,"Multiple",214.18217,8.4,"(6beta22E)-6-Hydroxystigmasta-422-dien-3-one","C29H46O2","426.349780716","M+2H","ISgroup_2_704_19",8812837.3,0.18
"HMDB39398",0,0,"4_1",410.25726,888.2,"Unique",410.25866,3.41,"Quinquenoside F1","C42H74O15","818.502771698","M+2H","ISgroup_4_819_26",38010128,0.257
"HMDB39337",0,0,"2_1",334.11633,775.4,"Multiple",334.11527,3.17,"Tetramethylquercetin 3-rutinoside","C31H38O16","666.215985168","M+2H","ISgroup_2_1024_12",9748008,0.116
"HMDB39314",0,0,"7_1",336.59996,980,"Multiple",336.59979,0.51,"4-(4-Hydroxyphenyl)-2-butanone O-26-digalloylglucoside","C30H30O15","630.15847029","M+ACN+2H","ISgroup_7_1429_60",1718466.9,0.6
"HMDB39226",0,0,"10_1",182.12916,310.8,"Multiple",182.13013,5.33,"(Z)-24-Dihydroxy-6-(8-pentadecenyl)benzoic acid","C22H34O4","362.245709576","M+2H","ISgroup_10_151_13",1647754714.9,0.129
"HMDB39176",0,0,"2_1",334.11633,775.4,"Multiple",334.11821,5.63,"Nystose","C24H42O21","666.221858406","M+2H","ISgroup_2_1024_12",9748008,0.116
"HMDB39174",0,0,"2_1",334.11633,775.4,"Multiple",334.11821,5.63,"3-beta-Cellobiosylcellobiose","C24H42O21","666.221858406","M+2H","ISgroup_2_1024_12",9748008,0.116
"HMDB39173",0,0,"2_1",334.11633,775.4,"Multiple",334.11821,5.63,"3-beta-Glucosylcellotriose","C24H42O21","666.221858406","M+2H","ISgroup_2_1024_12",9748008,0.116
"HMDB39161",0,0,"11_1",162.09921,842,"Unique",162.09989,4.19,"Syndesine","C12H23N3O6","305.158685483","M+H+NH4","ISgroup_11_596_10",5610789.3,0.099
"HMDB39157",0,0,"2_1",189.07001,363.6,"Multiple",189.0708,4.18,"Clovamide","C18H17NO7","359.100501903","M+H+NH4","ISgroup_2_234_8",18616846.5,0.07
"HMDB39144",0,0,"10_1",418.11283,427.9,"Multiple",418.11527,5.84,"48:48-Terflavan-3334444555777-tridecol","C45H38O16","834.215985168","M+2H","ISgroup_10_369_12",3385713.8,0.113
"HMDB38871",0,0,"2_1",334.11633,775.4,"Multiple",334.11821,5.63,"Sesamose","C24H42O21","666.221858406","M+2H","ISgroup_2_1024_12",9748008,0.116
"HMDB38870",0,0,"2_1",334.11633,775.4,"Multiple",334.11821,5.63,"Neobifurcose","C24H42O21","666.221858406","M+2H","ISgroup_2_1024_12",9748008,0.116
"HMDB38846",0,0,"3_1",234.56982,1055,"Unique",234.56809,7.38,"(-)-Epiafzelechin 3-gallate","C22H18O9","426.095082174","M+ACN+2H","ISgroup_3_1400_57",86480.1,0.57
"HMDB38820",0,0,"5_1",291.57374,737.2,"Unique",291.57631,8.81,"Isorhamnetin 3-(6-malonylglucoside)","C25H24O15","564.111520098","M+H+NH4","ISgroup_5_920_58",643493.7,0.574
"HMDB38569",0,0,"7_1",261.15279,740.7,"Unique",261.15414,5.17,"PC-M5","C29H37NO5","479.267173299","M+ACN+2H","ISgroup_7_954_16",3751213.3,0.153
"HMDB38558",0,0,"11_1",234.11762,738.5,"Multiple",234.11742,0.85,"8-Pentanoylneosolaniol","C24H34O9","466.220282686","M+2H","ISgroup_11_392_12",673591366.4,0.118
"HMDB38490",0,0,"2_1",334.11633,775.4,"Multiple",334.11821,5.63,"Bifurcose","C24H42O21","666.221858406","M+2H","ISgroup_2_1024_12",9748008,0.116
"HMDB38468",0,0,"1_1",225.05975,704.7,"Multiple",225.05756,9.73,"Luteolin 4-glucoside","C21H20O11","448.100561482","M+2H","ISgroup_1_927_6",249431945.6,0.06
"HMDB38467",0,0,"1_1",225.05975,704.7,"Multiple",225.05756,9.73,"Luteolin 7-galactoside","C21H20O11","448.100561482","M+2H","ISgroup_1_927_6",249431945.6,0.06
"HMDB38416",0,0,"10_1",210.0618,397.2,"Unique",210.06126,2.57,"5-Hexenyl glucosinolate","C13H23NO9S2","401.081422719","M+H+NH4","ISgroup_10_311_7",112273889,0.062
"HMDB38094",0,0,"10_1",238.07819,594.8,"Multiple",238.07729,3.78,"Petunidin 3-arabinoside","C21H21O10","433.113471892","M+ACN+2H","ISgroup_10_694_8",9538920.9,0.078
"HMDB38089",0,0,"10_1",238.07819,594.8,"Multiple",238.07729,3.78,"Peonidin 3-arabinoside","C21H21O10","433.113471892","M+ACN+2H","ISgroup_10_694_8",9538920.9,0.078
"HMDB38063",0,0,"2_1",214.18037,602.2,"Multiple",214.18217,8.4,"Stigmast-4-ene-36-dione","C29H46O2","426.349780716","M+2H","ISgroup_2_704_19",8812837.3,0.18
"HMDB37975",0,0,"10_1",238.07819,594.8,"Multiple",238.07729,3.78,"Cyanidin 3-rhamnoside","C21H21O10","433.113471892","M+ACN+2H","ISgroup_10_694_8",9538920.9,0.078
"HMDB37927",0,0,"3_1",226.56334,1147,"Multiple",226.56301,1.46,"Quercetin 7-xyloside","C20H18O11","434.084911418","M+H+NH4","ISgroup_3_1570_57",2480037,0.563
"HMDB37847",0,0,"2_1",191.08479,700.9,"Multiple",191.08645,8.69,"N-(1-Deoxy-1-fructosyl)tryptophan","C18H24N2O7","380.158351132","M+2H","ISgroup_2_888_9",58144143,0.085
"HMDB37671",0,0,"6_1",721.16377,1024.1,"Unique",721.16575,2.75,"Pavetannin D1","C75H60O30","1440.31694058","M+2H","ISgroup_6_1571_17",23706497.1,0.164
"HMDB37595",0,0,"3_1",226.56334,1147,"Multiple",226.56301,1.46,"6-Hydroxyluteolin 6-xyloside","C20H18O11","434.084911418","M+H+NH4","ISgroup_3_1570_57",2480037,0.563
"HMDB37572",0,0,"1_1",225.05975,704.7,"Multiple",225.05756,9.73,"Kaempferol 5-glucoside","C21H20O11","448.100561482","M+2H","ISgroup_1_927_6",249431945.6,0.06
"HMDB37429",0,0,"1_1",225.05975,704.7,"Multiple",225.05756,9.73,"Astragalin","C21H20O11","448.100561482","M+2H","ISgroup_1_927_6",249431945.6,0.06
"HMDB37382",0,0,"2_1",214.18037,602.2,"Multiple",214.18217,8.4,"(3beta23E)-3-Hydroxy-27-norcycloart-23-en-25-one","C29H46O2","426.349780716","M+2H","ISgroup_2_704_19",8812837.3,0.18
"HMDB37377",0,0,"1_1",225.05975,704.7,"Multiple",225.05756,9.73,"Carthamone","C21H20O11","448.100561482","M+2H","ISgroup_1_927_6",249431945.6,0.06
"HMDB37359",0,0,"1_1",225.05975,704.7,"Multiple",225.05756,9.73,"Azaleatin 3-arabinoside","C21H20O11","448.100561482","M+2H","ISgroup_1_927_6",249431945.6,0.06
"HMDB37117",0,0,"7_1",304.24839,1024.6,"Multiple",304.25025,6.11,"Neoannonin B","C37H66O6","606.485939844","M+2H","ISgroup_7_1515_25",47831632.7,0.248
"HMDB37065",0,0,"10_1",227.17367,553.1,"Multiple",227.1718,8.23,"3-Oxo-1218-ursadien-28-oic acid","C30H44O3","452.329045274","M+2H","ISgroup_10_613_18",82400572.4,0.174
"HMDB37058",0,0,"10_1",199.05333,349.7,"Unique",199.05382,2.46,"Thiazopyr","C16H17F5N2O2S","396.093089513","M+2H","ISgroup_10_226_6",10644325.3,0.053
"HMDB37033",0,0,"11_1",241.70519,540.1,"Multiple",241.70327,7.94,"28-Hydroxy-14-taraxeren-3-one","C30H48O2","440.36543078","M+ACN+2H","ISgroup_11_1_71",213924.9,0.705
"HMDB36850",0,0,"2_1",228.16332,541.7,"Multiple",228.16143,8.28,"Ceanothenic acid","C29H42O4","454.308309832","M+2H","ISgroup_2_586_17",192033031.5,0.163
"HMDB36800",0,0,"11_1",241.70519,540.1,"Multiple",241.70327,7.94,"3beta-Hydroxy-22(30)-hopen-29-al","C30H48O2","440.36543078","M+ACN+2H","ISgroup_11_1_71",213924.9,0.705
"HMDB36774",0,0,"11_1",241.70519,540.1,"Multiple",241.70327,7.94,"Sebiferic acid","C30H48O2","440.36543078","M+ACN+2H","ISgroup_11_1_71",213924.9,0.705
"HMDB36704",0,0,"10_1",182.12916,310.8,"Multiple",182.13013,5.33,"Epoxysiderol","C22H34O4","362.245709576","M+2H","ISgroup_10_151_13",1647754714.9,0.129
"HMDB36628",0,0,"5_1",117.02527,787.5,"Multiple",117.02586,5.04,"9-Hydroxy-4-methoxypsoralen","C12H8O5","232.037173366","M+2H","ISgroup_5_999_3",399201,0.025
"HMDB36600",0,0,"11_1",234.11762,738.5,"Multiple",234.11742,0.85,"T2 Toxin","C24H34O9","466.220282686","M+2H","ISgroup_11_392_12",673591366.4,0.118
"HMDB36403",0,0,"9_1",258.15312,737.3,"Multiple",258.1538,2.63,"Ganosporelactone B","C30H42O7","514.293053698","M+2H","ISgroup_9_997_16",141807700.5,0.153
"HMDB36377",0,0,"5_1",212.56438,1028.1,"Unique",212.56555,5.5,"7-Hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-carboxylic acid 7-glucoside","C17H18O10","382.089996796","M+ACN+2H","ISgroup_5_1395_57",2113154.6,0.564
"HMDB36328",0,0,"10_1",168.12141,625.7,"Multiple",168.1201,7.79,"Nordihydrocapsaicin","C17H27NO3","293.199093735","M+ACN+2H","ISgroup_10_754_13",9598023.1,0.121
"HMDB36315",0,0,"10_1",182.12916,310.8,"Multiple",182.13013,5.33,"Dimethyl ent-16alpha-kaurane-1719-dioate","C22H34O4","362.245709576","M+2H","ISgroup_10_151_13",1647754714.9,0.129
"HMDB36308",0,0,"9_1",258.15312,737.3,"Multiple",258.1538,2.63,"Ganoderic acid xi","C30H42O7","514.293053698","M+2H","ISgroup_9_997_16",141807700.5,0.153
"HMDB36307",0,0,"9_1",259.15993,787,"Multiple",259.16163,6.56,"Ganoderic acid epsilon","C30H44O7","516.308703762","M+2H","ISgroup_9_1091_16",20183515.4,0.16
"HMDB36306",0,0,"9_1",259.15993,787,"Multiple",259.16163,6.56,"Ganoderic acid delta","C30H44O7","516.308703762","M+2H","ISgroup_9_1091_16",20183515.4,0.16
"HMDB36299",0,0,"1_1",310.20496,712.2,"Multiple",310.2033,5.35,"3-O-p-trans-Coumaroylalphitolic acid","C39H54O6","618.39203946","M+2H","ISgroup_1_940_21",57198886.7,0.205
"HMDB35956",0,0,"5_1",246.24313,644.9,"Unique",246.24477,6.66,"Lumequoylacetone","C33H62O2","490.474981228","M+2H","ISgroup_5_769_25",21448359,0.243
"HMDB35888",0,0,"10_1",227.17367,553.1,"Multiple",227.1718,8.23,"Tyromycic acid","C30H44O3","452.329045274","M+2H","ISgroup_10_613_18",82400572.4,0.174
"HMDB35867",0,0,"10_1",214.10222,762.1,"Multiple",214.10177,2.1,"1113-Dihydrotaraxinic acid glucosyl ester","C21H30O9","426.188982558","M+2H","ISgroup_10_997_11",180527219.8,0.102
"HMDB35719",0,0,"9_1",259.15993,787,"Multiple",259.16163,6.56,"Ganoderic acid B","C30H44O7","516.308703762","M+2H","ISgroup_9_1091_16",20183515.4,0.16
"HMDB35709",0,0,"9_1",258.15312,737.3,"Multiple",258.1538,2.63,"Ganoderenic acid B","C30H42O7","514.293053698","M+2H","ISgroup_9_997_16",141807700.5,0.153
"HMDB35686",0,0,"10_1",210.16811,625.6,"Multiple",210.16906,4.52,"beta-Citraurinene","C30H42O","418.323565966","M+2H","ISgroup_10_754_17",2803943740.4,0.168
"HMDB35627",0,0,"9_1",258.15312,737.3,"Multiple",258.1538,2.63,"Ganoderic acid C1","C30H42O7","514.293053698","M+2H","ISgroup_9_997_16",141807700.5,0.153
"HMDB35588",0,0,"1_1",225.05975,704.7,"Multiple",225.05756,9.73,"Luteolin 7-glucoside","C21H20O11","448.100561482","M+2H","ISgroup_1_927_6",249431945.6,0.06
"HMDB35475",0,0,"10_1",285.12154,379.3,"Unique",285.12069,2.98,"Simmondsin 2-ferulate","C26H33NO12","551.200275525","M+H+NH4","ISgroup_10_279_13",1007333834.9,0.122
"HMDB35382",0,0,"9_1",259.15993,787,"Multiple",259.16163,6.56,"Ganoderenic acid C","C30H44O7","516.308703762","M+2H","ISgroup_9_1091_16",20183515.4,0.16
"HMDB35381",0,0,"9_1",258.15312,737.3,"Multiple",258.1538,2.63,"Ganoderenic acid A","C30H42O7","514.293053698","M+2H","ISgroup_9_997_16",141807700.5,0.153
"HMDB35380",0,0,"5_1",178.12612,508.6,"Multiple",178.12759,8.25,"Sterebin G","C20H34O5","354.240624198","M+2H","ISgroup_5_514_13",29081289.6,0.126
"HMDB35355",0,0,"11_1",241.70519,540.1,"Multiple",241.70327,7.94,"3beta-3-Hydroxy-18-lupen-21-one","C30H48O2","440.36543078","M+ACN+2H","ISgroup_11_1_71",213924.9,0.705
"HMDB35323",0,0,"2_1",334.11633,775.4,"Multiple",334.11821,5.63,"Fagopyritol B3","C24H42O21","666.221858406","M+2H","ISgroup_2_1024_12",9748008,0.116
"HMDB35314",0,0,"11_1",241.70519,540.1,"Multiple",241.70327,7.94,"Ganoderol B","C30H48O2","440.36543078","M+ACN+2H","ISgroup_11_1_71",213924.9,0.705
"HMDB35264",0,0,"10_1",328.2167,671.4,"Unique",328.21948,8.47,"Avenestergenin A1","C38H55NO7","637.397853119","M+H+NH4","ISgroup_10_839_22",37655305.5,0.217
"HMDB35217",0,0,"5_1",292.10444,490.6,"Multiple",292.1047,0.89,"10-Acetoxyligustroside","C27H34O14","582.194855796","M+2H","ISgroup_5_481_11",10380449.5,0.104
"HMDB35167",0,0,"5_1",272.12308,729,"Unique",272.12544,8.67,"Cinncassiol C1 19-glucoside","C26H38O12","542.23632668","M+2H","ISgroup_5_909_13",88861367,0.123
"HMDB34967",0,0,"7_1",304.24839,1024.6,"Multiple",304.25025,6.11,"cis-Reticulatacin-10-one","C37H66O6","606.485939844","M+2H","ISgroup_7_1515_25",47831632.7,0.248
"HMDB34931",0,0,"9_1",259.15993,787,"Multiple",259.16163,6.56,"Ganoderic acid A","C30H44O7","516.308703762","M+2H","ISgroup_9_1091_16",20183515.4,0.16
"HMDB34731",0,0,"5_1",229.1947,731.3,"Unique",229.19307,7.11,"Tomatidine","C27H45NO2","415.345029689","M+ACN+2H","ISgroup_5_912_20",16946374.7,0.195
"HMDB34701",0,0,"8_1",263.57242,1209.6,"Multiple",263.57083,6.03,"1247-Tetraacetoxy-8-hydroxy-3-(4-hydroxyphenyl)dibenzofuran","C26H20O11","508.100561482","M+H+NH4","ISgroup_8_174_58",1021211.1,0.572
"HMDB34700",0,0,"8_1",263.57242,1209.6,"Multiple",263.57083,6.03,"1248-Tetraacetoxy-7-hydroxy-3-(4-hydroxyphenyl)dibenzofuran","C26H20O11","508.100561482","M+H+NH4","ISgroup_8_174_58",1021211.1,0.572
"HMDB34695",0,0,"9_1",259.15993,787,"Multiple",259.16163,6.56,"Cucurbitacin D","C30H44O7","516.308703762","M+2H","ISgroup_9_1091_16",20183515.4,0.16
"HMDB34570",0,0,"5_1",300.60092,727.3,"Unique",300.59978,3.79,"Norrubrofusarin 6-beta-gentiobioside","C26H30O15","582.15847029","M+H+NH4","ISgroup_5_907_61",160810.4,0.601
"HMDB34539",0,0,"1_1",310.20496,712.2,"Multiple",310.2033,5.35,"3-O-cis-Coumaroylmaslinic acid","C39H54O6","618.39203946","M+2H","ISgroup_1_940_21",57198886.7,0.205
"HMDB34511",0,0,"11_1",241.70519,540.1,"Multiple",241.70327,7.94,"Oleanolic aldehyde","C30H48O2","440.36543078","M+ACN+2H","ISgroup_11_1_71",213924.9,0.705
"HMDB34506",0,0,"11_1",241.70519,540.1,"Multiple",241.70327,7.94,"Soyasapogenol C","C30H48O2","440.36543078","M+ACN+2H","ISgroup_11_1_71",213924.9,0.705
"HMDB34444",0,0,"5_1",152.54526,1046.3,"Multiple",152.54442,5.51,"Citreorosein","C15H10O6","286.047738052","M+H+NH4","ISgroup_5_1417_55",6847597,0.545
"HMDB34385",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"Glycerol 1-(9Z-octadecenoate) 2-hexadecanoate 3-octadecanoate","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB34150",0,0,"5_1",152.54526,1046.3,"Multiple",152.54442,5.51,"Cernuine","C15H10O6","286.047738052","M+H+NH4","ISgroup_5_1417_55",6847597,0.545
"HMDB34014",0,0,"5_1",152.54526,1046.3,"Multiple",152.54442,5.51,"2-Hydroxygenistein","C15H10O6","286.047738052","M+H+NH4","ISgroup_5_1417_55",6847597,0.545
"HMDB33831",0,0,"6_1",149.02362,681.4,"Multiple",149.02332,2.01,"Medicagol","C16H8O6","296.032087988","M+2H","ISgroup_6_891_3",191010038.2,0.024
"HMDB33795",0,0,"3_1",226.56334,1147,"Multiple",226.56301,1.46,"Quercetin 3-arabinoside","C20H18O11","434.084911418","M+H+NH4","ISgroup_3_1570_57",2480037,0.563
"HMDB33751",0,0,"1_1",225.05975,704.7,"Multiple",225.05756,9.73,"Quercitrin","C21H20O11","448.100561482","M+2H","ISgroup_1_927_6",249431945.6,0.06
"HMDB33725",0,0,"5_1",615.17778,1024.2,"Unique",615.17511,4.34,"Cyanidin 3-O-4-Hydroxycinnamoyl-(-6)-4-hydroxy-35-dimethoxycinnamoyl-(-2)-b-D-glucopyranosyl-(1-2)-b-D-glucopyranoside 5-O-(6-O-malonyl-b-D-glucopyranoside)","C56H59O30","1211.309115548","M+H+NH4","ISgroup_5_1389_18",31936870.5,0.178
"HMDB33694",0,0,"10_1",238.07819,594.8,"Multiple",238.07595,9.41,"trans-Caffeic acid apiosyl-(1-6)-glucosyl ester","C20H26O13","474.137340918","M+2H","ISgroup_10_694_8",9538920.9,0.078
"HMDB33682",0,0,"10_1",238.07819,594.8,"Multiple",238.07729,3.78,"Pelargonidin 3-galactoside","C21H21O10","433.113471892","M+ACN+2H","ISgroup_10_694_8",9538920.9,0.078
"HMDB33677",0,0,"10_1",182.12916,310.8,"Multiple",182.13013,5.33,"Lycopersiconolide","C22H34O4","362.245709576","M+2H","ISgroup_10_151_13",1647754714.9,0.129
"HMDB33494",0,0,"1_1",310.20496,712.2,"Multiple",310.20757,8.41,"Tetronasin","C35H53O8","601.374043672","M+H+NH4","ISgroup_1_940_21",57198886.7,0.205
"HMDB33442",0,0,"5_1",195.093,511.6,"Multiple",195.09327,1.38,"Mytilin B","C14H23N2O8","347.145440722","M+ACN+2H","ISgroup_5_518_10",107533573.5,0.093
"HMDB33427",0,0,"4_1",406.21133,685.4,"Unique",406.20917,5.32,"Betavulgaroside VII","C41H62O16","810.403785936","M+2H","ISgroup_4_425_22",114762995.9,0.211
"HMDB33398",0,0,"10_1",182.12916,310.8,"Multiple",182.13013,5.33,"Annoglabasin B","C22H34O4","362.245709576","M+2H","ISgroup_10_151_13",1647754714.9,0.129
"HMDB33297",0,0,"10_1",298.08192,810.5,"Unique",298.08357,5.54,"Kuwanon Z","C34H26O10","594.152597052","M+2H","ISgroup_10_1081_9",41553704.5,0.082
"HMDB33296",0,0,"5_1",292.10444,490.6,"Multiple",292.10177,9.14,"Kuwanon Y","C34H30O9","582.188982558","M+2H","ISgroup_5_481_11",10380449.5,0.104
"HMDB33282",0,0,"5_1",269.09928,641.8,"Multiple",269.10196,9.96,"8-Hydroxypinoresinol 4-glucoside","C26H32O12","536.189376488","M+2H","ISgroup_5_764_10",16271674.9,0.099
"HMDB33281",0,0,"5_1",269.09928,641.8,"Multiple",269.10196,9.96,"8-Hydroxypinoresinol 8-glucoside","C26H32O12","536.189376488","M+2H","ISgroup_5_764_10",16271674.9,0.099
"HMDB33257",0,0,"11_1",241.70519,540.1,"Multiple",241.70327,7.94,"Myricolal","C30H48O2","440.36543078","M+ACN+2H","ISgroup_11_1_71",213924.9,0.705
"HMDB33211",0,0,"2_1",189.07001,363.6,"Multiple",189.0708,4.18,"Avenanthramide 2","C18H17NO7","359.100501903","M+H+NH4","ISgroup_2_234_8",18616846.5,0.07
"HMDB32981",0,0,"5_1",117.05712,670.4,"Unique",117.0573,1.54,"23-Diphenylpyrazine","C16H12N2","232.100048394","M+2H","ISgroup_5_811_6",1404635.2,0.057
"HMDB32903",0,0,"1_1",225.05975,704.7,"Multiple",225.05756,9.73,"1268-Tetrahydroxy-3-methylanthraquinone 2-O-b-D-glucoside","C21H20O11","448.100561482","M+2H","ISgroup_1_927_6",249431945.6,0.06
"HMDB32864",0,0,"2_1",192.09383,456.2,"Multiple",192.09428,2.34,"Mycotoxin T 2","C16H23NO7","341.147452095","M+ACN+2H","ISgroup_2_417_10",1799646308.7,0.094
"HMDB32850",0,0,"5_1",258.2431,848.4,"Multiple",258.24477,6.47,"Muricadienin","C35H62O2","514.474981228","M+2H","ISgroup_5_1111_25",11873021.2,0.243
"HMDB32659",0,0,"5_1",117.02527,787.5,"Multiple",117.02586,5.04,"4-Hydroxy-8-methoxy-2H-furo23-h-1-benzopyran-2-one","C12H8O5","232.037173366","M+2H","ISgroup_5_999_3",399201,0.025
"HMDB32648",0,0,"5_1",258.2431,848.4,"Multiple",258.24477,6.47,"Muridienin 1","C35H62O2","514.474981228","M+2H","ISgroup_5_1111_25",11873021.2,0.243
"HMDB32112",0,0,"2_1",159.15744,659.4,"Unique",159.15615,8.11,"124-Nonadecanetriol","C19H40O3","316.297745146","M+2H","ISgroup_2_814_16",55801933.5,0.157
"HMDB32084",0,0,"2_1",214.18037,602.2,"Multiple",214.18217,8.4,"29-Norcycloartane-324-dione","C29H46O2","426.349780716","M+2H","ISgroup_2_704_19",8812837.3,0.18
"HMDB32006",0,0,"10_1",418.11283,427.9,"Multiple",418.11527,5.84,"Epifisetinidol-(4beta-8)-epicatechin-(6-4beta)-epifisetinidol","C45H38O16","834.215985168","M+2H","ISgroup_10_369_12",3385713.8,0.113
"HMDB31938",0,0,"2_1",350.32682,1028.3,"Unique",350.32556,3.6,"Arachisprenol 10","C50H82O","698.636567246","M+2H","ISgroup_2_1498_33",97828706.6,0.327
"HMDB31931",0,0,"2_1",214.18037,602.2,"Multiple",214.18217,8.4,"Stigmast-22-ene-36-dione","C29H46O2","426.349780716","M+2H","ISgroup_2_704_19",8812837.3,0.18
"HMDB31886",0,0,"7_1",304.24839,1024.6,"Multiple",304.25025,6.11,"Rollidecin D","C37H66O6","606.485939844","M+2H","ISgroup_7_1515_25",47831632.7,0.248
"HMDB31402",0,0,"6_1",246.19747,237.3,"Multiple",246.1958,6.78,"23-Acetoxysoladulcidine","C29H47NO4","473.350508997","M+H+NH4","ISgroup_6_7_20",619525944.2,0.197
"HMDB31137",0,0,"10_1",182.12916,310.8,"Multiple",182.13013,5.33,"Annosquamosin A","C22H34O4","362.245709576","M+2H","ISgroup_10_151_13",1647754714.9,0.129
"HMDB31108",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"Tripetroselinin","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB31080",0,0,"2_1",214.18037,602.2,"Multiple",214.18217,8.4,"Momordenol","C29H46O2","426.349780716","M+2H","ISgroup_2_704_19",8812837.3,0.18
"HMDB30940",0,0,"7_1",304.24839,1024.6,"Multiple",304.25025,6.11,"Squamocin L","C37H66O6","606.485939844","M+2H","ISgroup_7_1515_25",47831632.7,0.248
"HMDB30864",0,0,"1_1",225.05975,704.7,"Multiple",225.05756,9.73,"Trifolin","C21H20O11","448.100561482","M+2H","ISgroup_1_927_6",249431945.6,0.06
"HMDB30860",0,0,"3_1",226.56334,1147,"Multiple",226.56301,1.46,"Avicularin","C20H18O11","434.084911418","M+H+NH4","ISgroup_3_1570_57",2480037,0.563
"HMDB30614",0,0,"1_1",225.05975,704.7,"Multiple",225.05756,9.73,"Orientin","C21H20O11","448.100561482","M+2H","ISgroup_1_927_6",249431945.6,0.06
"HMDB30543",0,0,"5_1",152.54526,1046.3,"Multiple",152.54442,5.51,"Norartocarpetin","C15H10O6","286.047738052","M+H+NH4","ISgroup_5_1417_55",6847597,0.545
"HMDB30517",0,0,"3_1",835.23972,1120.8,"Unique",835.23404,6.8,"Thiopeptin Ba","C71H84N18O18S6","1668.453522114","M+2H","ISgroup_3_1521_24",343758003.8,0.24
"HMDB30343",0,0,"9_1",260.15005,737,"Unique",260.15126,4.65,"Corchoroside B","C29H42O8","518.28796832","M+2H","ISgroup_9_997_16",37898304.5,0.15
"HMDB30134",0,0,"5_1",269.09928,641.8,"Multiple",269.09903,0.93,"Asticolorin B","C33H28O7","536.18350325","M+2H","ISgroup_5_764_10",16271674.9,0.099
"HMDB30022",0,0,"2_1",216.19582,639.7,"Multiple",216.19782,9.25,"Ikshusterol","C29H50O2","430.381080844","M+2H","ISgroup_2_776_20",3469530.6,0.196
"HMDB30015",0,0,"2_1",214.18037,602.2,"Multiple",214.18217,8.4,"7-Oxostigmasterol","C29H46O2","426.349780716","M+2H","ISgroup_2_704_19",8812837.3,0.18
"HMDB29959",0,0,"7_1",304.24839,1024.6,"Multiple",304.25025,6.11,"Asiminenin A","C37H66O6","606.485939844","M+2H","ISgroup_7_1515_25",47831632.7,0.248
"HMDB29931",0,0,"2_1",334.11633,775.4,"Multiple",334.11821,5.63,"Mannan","C24H42O21","666.221858406","M+2H","ISgroup_2_1024_12",9748008,0.116
"HMDB29846",0,0,"10_1",168.12141,625.7,"Multiple",168.1201,7.79,"Nonivamide","C17H27NO3","293.199093735","M+ACN+2H","ISgroup_10_754_13",9598023.1,0.121
"HMDB29711",0,0,"5_1",152.54526,1046.3,"Multiple",152.54442,5.51,"Maritimetin","C15H10O6","286.047738052","M+H+NH4","ISgroup_5_1417_55",6847597,0.545
"HMDB29538",0,0,"5_1",208.55821,1119.7,"Multiple",208.56007,8.92,"Neodiospyrin","C22H14O6","374.07903818","M+ACN+2H","ISgroup_5_1543_56",2048280.3,0.558
"HMDB29499",0,0,"3_1",226.56334,1147,"Multiple",226.56301,1.46,"Fukinolic acid","C20H18O11","434.084911418","M+H+NH4","ISgroup_3_1570_57",2480037,0.563
"HMDB29343",0,0,"2_1",460.26945,686.1,"Multiple",460.2723,6.19,"beta1-Tomatidine","C45H75NO17","901.503499979","M+H+NH4","ISgroup_2_863_27",8637562.8,0.269
"HMDB29313",0,0,"10_1",284.14217,738.7,"Unique",284.14363,5.14,"Canescein","C29H42O11","566.272712186","M+2H","ISgroup_10_958_15",1935651649.6,0.142
"HMDB29286",0,0,"2_1",189.07001,363.6,"Multiple",189.0708,4.18,"Avenanthramide 2s","C18H17NO7","359.100501903","M+H+NH4","ISgroup_2_234_8",18616846.5,0.07
"HMDB29274",0,0,"5_1",236.01509,238.6,"Unique",236.01335,7.37,"Sanguisorbic acid dilactone","C21H10O13","470.012140406","M+2H","ISgroup_5_1_2",5568939.9,0.015
"HMDB29248",0,0,"10_1",238.07819,594.8,"Multiple",238.07729,3.78,"Luteolinidin 3-O-glucoside","C21H21O10","433.113471892","M+ACN+2H","ISgroup_10_694_8",9538920.9,0.078
"HMDB29238",0,0,"5_1",252.07383,951.4,"Unique",252.07474,3.61,"Cyanidin 3-O-(6-acetyl-arabinoside)","C22H21O11","461.108386514","M+ACN+2H","ISgroup_5_1293_8",52092430.5,0.074
"HMDB29209",0,0,"1_1",225.05975,704.7,"Multiple",225.05756,9.73,"naringenin-7-O-glucuronide","C21H20O11","448.100561482","M+2H","ISgroup_1_927_6",249431945.6,0.06
"HMDB29208",0,0,"1_1",225.05975,704.7,"Multiple",225.05756,9.73,"naringenin-4-O-glucuronide","C21H20O11","448.100561482","M+2H","ISgroup_1_927_6",249431945.6,0.06
"HMDB29199",0,0,"5_1",164.03964,717.7,"Multiple",164.03917,2.87,"Fertaric acid","C14H14O9","326.063782046","M+2H","ISgroup_5_896_4",7458392.2,0.04
"HMDB29085",0,0,"2_1",192.09383,456.2,"Multiple",192.09495,5.83,"Tryptophyl-Histidine","C17H19N5O3","341.148789499","M+ACN+2H","ISgroup_2_417_10",1799646308.7,0.094
"HMDB28896",0,0,"2_1",192.09383,456.2,"Multiple",192.09495,5.83,"Histidinyl-Tryptophan","C17H19N5O3","341.148789499","M+ACN+2H","ISgroup_2_417_10",1799646308.7,0.094
"HMDB15657",0,0,"10_1",202.08586,569.8,"Multiple",202.08424,8.02,"Nilvadipine","C19H19N3O6","385.127385355","M+H+NH4","ISgroup_10_645_9",24738771.9,0.086
"HMDB15620",0,0,"10_1",133.08894,707.1,"Multiple",133.0886,2.55,"Mianserin","C18H20N2","264.16264865","M+2H","ISgroup_10_907_9",52691997.1,0.089
"HMDB15603",0,0,"9_1",258.15312,737.3,"Multiple",258.15246,2.56,"Ximelagatran","C24H35N5O5","473.263819255","M+ACN+2H","ISgroup_9_997_16",141807700.5,0.153
"HMDB15592",0,0,"10_1",168.12141,625.7,"Multiple",168.1201,7.79,"Tetrabenazine","C19H27NO3","317.199093735","M+H+NH4","ISgroup_10_754_13",9598023.1,0.121
"HMDB15537",0,0,"9_1",259.15993,787,"Multiple",259.16206,8.22,"Probucol","C31H48O2S2","516.30957216","M+2H","ISgroup_9_1091_16",20183515.4,0.16
"HMDB15375",0,0,"10_1",130.15938,297.8,"Unique",130.15903,2.69,"Decamethonium","C16H38N2","258.303499226","M+2H","ISgroup_10_127_16",27521947.7,0.159
"HMDB15276",0,0,"10_1",203.014,379.6,"Unique",203.0158,8.87,"Sulfoxone","C14H16N2O6S3","404.017048324","M+2H","ISgroup_10_279_2",21855363.2,0.014
"HMDB15157",0,0,"5_1",226.18037,751.9,"Multiple",226.18217,7.96,"Phytonadione","C31H46O2","450.349780716","M+2H","ISgroup_5_941_19",59875437,0.18
"HMDB14980",0,0,"5_1",152.54526,1046.3,"Multiple",152.546,4.85,"Oxazepam","C15H11ClN2O2","286.050905313","M+H+NH4","ISgroup_5_1417_55",6847597,0.545
"HMDB14875",0,0,"10_1",196.1022,292.6,"Unique",196.10041,9.13,"Meclizine","C25H27ClN2","390.186276581","M+2H","ISgroup_10_122_11",1456226546.7,0.102
"HMDB14869",0,0,"10_1",168.12141,625.7,"Multiple",168.1201,7.79,"Nateglinide","C19H27NO3","317.199093735","M+H+NH4","ISgroup_10_754_13",9598023.1,0.121
"HMDB14808",0,0,"10_1",197.10369,293.9,"Unique",197.10531,8.22,"Pirenzepine","C19H21N5O2","351.169524941","M+ACN+2H","ISgroup_10_123_11",136683756.6,0.104
"HMDB14695",0,0,"6_1",149.02362,681.4,"Multiple",149.02448,5.77,"Lamotrigine","C9H7Cl2N5","255.007850663","M+ACN+2H","ISgroup_6_891_3",191010038.2,0.024
"HMDB14675",0,0,"10_1",219.04038,286.8,"Unique",219.03846,8.77,"Cefdinir","C14H13N5O5S2","395.035809931","M+ACN+2H","ISgroup_10_111_5",150864486,0.04
"HMDB14633",0,0,"7_1",214.14469,591.6,"Unique",214.14444,1.17,"Buspirone","C21H31N5O2","385.247775261","M+ACN+2H","ISgroup_7_658_15",8136416,0.145
"HMDB14415",0,0,"5_1",195.093,511.6,"Multiple",195.09461,8.25,"Isradipine","C19H21N3O5","371.148120797","M+H+NH4","ISgroup_5_518_10",107533573.5,0.093
"HMDB14365",0,0,"5_1",293.17773,763.1,"Unique",293.17709,2.18,"Nelfinavir","C32H45N3O4S","567.313077633","M+H+NH4","ISgroup_5_960_18",84712397,0.178
"HMDB14361",0,0,"2_1",192.09383,456.2,"Multiple",192.09303,4.16,"Eletriptan","C22H26N2O2S","382.171498776","M+2H","ISgroup_2_417_10",1799646308.7,0.094
"HMDB14349",0,0,"11_1",230.08948,738,"Multiple",230.09016,2.96,"Dofetilide","C19H27N3O5S2","441.139212369","M+H+NH4","ISgroup_11_392_9",36772521.3,0.089
"HMDB14029",0,0,"2_1",191.08479,700.9,"Multiple",191.08319,8.37,"Methylhydroxygliclazide","C15H21N3O4S","339.125276865","M+ACN+2H","ISgroup_2_888_9",58144143,0.085
"HMDB14028",0,0,"2_1",191.08479,700.9,"Multiple",191.08319,8.37,"6-Hydroxygliclazide","C15H21N3O4S","339.125276865","M+ACN+2H","ISgroup_2_888_9",58144143,0.085
"HMDB14027",0,0,"2_1",191.08479,700.9,"Multiple",191.08319,8.37,"7-Hydroxygliclazide","C15H21N3O4S","339.125276865","M+ACN+2H","ISgroup_2_888_9",58144143,0.085
"HMDB13650",0,0,"10_1",210.16811,625.6,"Multiple",210.16705,5.04,"Arachidonoyl Serinol ","C23H39NO3","377.292994119","M+ACN+2H","ISgroup_10_754_17",2803943740.4,0.168
"HMDB13648",0,0,"2_1",158.15426,852.6,"Unique",158.15394,2.02,"Palmitoleoyl Ethanolamide","C18H35NO2","297.266779369","M+H+NH4","ISgroup_2_1172_16",596125972.2,0.154
"HMDB13625",0,0,"10_1",184.16965,228.9,"Multiple",184.16959,0.33,"Dihomo-gamma-Linolenoyl ethanolamide","C22H39NO2","349.298079497","M+H+NH4","ISgroup_10_1_17",5258584.2,0.17
"HMDB13433",0,0,"2_1",424.36347,954.8,"Multiple",424.36677,7.78,"PC(o-18:1(9Z)22:0)","C48H96NO7P","829.692440943","M+H+NH4","ISgroup_2_1371_37",81153719.3,0.363
"HMDB13200",0,0,"2_1",191.08479,700.9,"Multiple",191.08645,8.69,"5-Hydroxytryptophol glucuronide","C16H21NO7","339.131802031","M+ACN+2H","ISgroup_2_888_9",58144143,0.085
"HMDB13132",0,0,"5_1",141.10664,1033.4,"Multiple",141.10719,3.9,"Hydroxyvalerylcarnitine","C12H25NO5","263.173272915","M+H+NH4","ISgroup_5_1402_11",3858827.1,0.107
"HMDB13041",0,0,"5_1",178.12612,508.6,"Multiple",178.12759,8.25,"Prostaglandin H1","C20H34O5","354.240624198","M+2H","ISgroup_5_514_13",29081289.6,0.126
"HMDB12563",0,0,"5_1",178.12612,508.6,"Multiple",178.12759,8.25,"1314-Dihydro- lipoxin A4","C20H34O5","354.240624198","M+2H","ISgroup_5_514_13",29081289.6,0.126
"HMDB12556",0,0,"2_1",228.16332,541.7,"Multiple",228.16143,8.28,"13-Carboxy-alpha-tocotrienol","C29H42O4","454.308309832","M+2H","ISgroup_2_586_17",192033031.5,0.163
"HMDB12468",0,0,"2_1",214.03024,245.6,"Unique",214.03202,8.32,"(-)-Epigallocatechin sulfate","C15H13O10S","385.022942326","M+ACN+2H","ISgroup_2_1_4",1132889028.1,0.03
"HMDB12171",0,0,"2_1",216.19582,639.7,"Multiple",216.19782,9.25,"4alpha-Hydroxymethyl-4beta-methyl-5alpha-cholesta-8-en-3beta-ol","C29H50O2","430.381080844","M+2H","ISgroup_2_776_20",3469530.6,0.196
"HMDB12167",0,0,"2_1",214.18037,602.2,"Multiple",214.18217,8.4,"4alpha-Formyl-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol","C29H46O2","426.349780716","M+2H","ISgroup_2_704_19",8812837.3,0.18
"HMDB11912",0,0,"2_1",735.96929,775.1,"Unique",735.97397,6.36,"Ganglioside GM2 (d18:123:0)","C73H132N2O26","1452.906832406","M+H+NH4","ISgroup_2_1024_97",3462258.9,0.969
"HMDB11764",0,0,"5_1",307.31344,244.7,"Unique",307.31572,7.42,"Cer(d18:020:0)","C38H77NO3","595.590345335","M+H+NH4","ISgroup_5_12_32",18037192,0.313
"HMDB11596",0,0,"10_1",214.10222,762.1,"Multiple",214.10042,8.41,"Queuosine","C17H23N5O7","409.159748115","M+H+NH4","ISgroup_10_997_11",180527219.8,0.102
"HMDB11256",0,0,"2_1",424.36347,954.8,"Multiple",424.36677,7.78,"PC(P-18:022:0)","C48H96NO7P","829.692440943","M+H+NH4","ISgroup_2_1371_37",81153719.3,0.363
"HMDB11230",0,0,"2_1",424.36347,954.8,"Multiple",424.36677,7.78,"PC(P-16:024:0)","C48H96NO7P","829.692440943","M+H+NH4","ISgroup_2_1371_37",81153719.3,0.363
"HMDB11137",0,0,"5_1",178.12612,508.6,"Multiple",178.12759,8.25,"11-Epi-PGF2a","C20H34O5","354.240624198","M+2H","ISgroup_5_514_13",29081289.6,0.126
"HMDB10641",0,0,"5_1",413.28904,660.1,"Multiple",413.28564,8.23,"PG(18:1(9Z)22:4(7Z10Z13Z16Z))","C46H81O10P","824.556735324","M+2H","ISgroup_5_797_29",12468128.8,0.289
"HMDB10626",0,0,"5_1",413.28904,660.1,"Multiple",413.28564,8.23,"PG(18:1(11Z)22:4(7Z10Z13Z16Z))","C46H81O10P","824.556735324","M+2H","ISgroup_5_797_29",12468128.8,0.289
"HMDB10613",0,0,"5_1",413.28904,660.1,"Multiple",413.28564,8.23,"PG(18:022:5(7Z10Z13Z16Z19Z))","C46H81O10P","824.556735324","M+2H","ISgroup_5_797_29",12468128.8,0.289
"HMDB10612",0,0,"5_1",413.28904,660.1,"Multiple",413.28564,8.23,"PG(18:022:5(4Z7Z10Z13Z16Z))","C46H81O10P","824.556735324","M+2H","ISgroup_5_797_29",12468128.8,0.289
"HMDB10457",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(18:1(9Z)18:1(11Z)18:1(9Z))iso3","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB10452",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(18:1(9Z)16:020:2(11Z14Z))iso6","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB10447",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(18:1(11Z)18:018:2(9Z12Z))iso6","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB10431",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(18:016:018:1(11Z))iso6","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB10299",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(22:6(4Z7Z10Z13Z16Z19Z)18:2(9Z12Z)18:2(9Z12Z)18:1(9Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB10298",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(22:6(4Z7Z10Z13Z16Z19Z)18:2(9Z12Z)18:2(9Z12Z)18:1(11Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB10296",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(22:6(4Z7Z10Z13Z16Z19Z)18:2(9Z12Z)18:1(9Z)18:1(9Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB10295",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(22:6(4Z7Z10Z13Z16Z19Z)18:2(9Z12Z)18:1(9Z)18:1(11Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB10293",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(22:6(4Z7Z10Z13Z16Z19Z)18:2(9Z12Z)18:1(11Z)18:1(9Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB10292",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(22:6(4Z7Z10Z13Z16Z19Z)18:2(9Z12Z)18:1(11Z)18:1(11Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB10290",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(22:5(7Z10Z13Z16Z19Z)18:2(9Z12Z)18:2(9Z12Z)18:1(9Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB10289",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(22:5(7Z10Z13Z16Z19Z)18:2(9Z12Z)18:2(9Z12Z)18:1(11Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB10288",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(22:5(4Z7Z10Z13Z16Z)18:2(9Z12Z)18:2(9Z12Z)18:1(9Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB10287",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(22:5(4Z7Z10Z13Z16Z)18:2(9Z12Z)18:2(9Z12Z)18:1(11Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB10285",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(20:4(8Z11Z14Z17Z)20:4(8Z11Z14Z17Z)18:1(9Z)18:1(9Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB10284",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(20:4(8Z11Z14Z17Z)20:4(8Z11Z14Z17Z)18:1(11Z)18:1(11Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB10282",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(20:4(8Z11Z14Z17Z)20:3(8Z11Z14Z)18:2(9Z12Z)18:2(9Z12Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB10281",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(20:4(8Z11Z14Z17Z)20:3(5Z8Z11Z)18:2(9Z12Z)18:2(9Z12Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB10280",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(20:4(8Z11Z14Z17Z)20:2(11Z14Z)18:2(9Z12Z)18:2(9Z12Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB10275",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(20:4(5Z8Z11Z14Z)20:4(5Z8Z11Z14Z)18:1(9Z)18:1(9Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB10274",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(20:4(5Z8Z11Z14Z)20:4(5Z8Z11Z14Z)18:1(11Z)18:1(11Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB10273",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(20:4(5Z8Z11Z14Z)20:3(8Z11Z14Z)18:2(9Z12Z)18:2(9Z12Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB10272",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(20:4(5Z8Z11Z14Z)20:3(5Z8Z11Z)18:2(9Z12Z)18:2(9Z12Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB10271",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(20:4(5Z8Z11Z14Z)20:2(11Z14Z)18:2(9Z12Z)18:2(9Z12Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB10268",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(20:3(8Z11Z14Z)20:3(8Z11Z14Z)18:2(9Z12Z)18:2(9Z12Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB10267",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(20:3(8Z11Z14Z)20:3(5Z8Z11Z)18:2(9Z12Z)18:2(9Z12Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB10265",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(20:3(5Z8Z11Z)20:3(8Z11Z14Z)18:2(9Z12Z)18:2(9Z12Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB10264",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(20:3(5Z8Z11Z)20:3(5Z8Z11Z)18:2(9Z12Z)18:2(9Z12Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB10214",0,0,"10_1",182.12916,310.8,"Multiple",182.13013,5.33,"1920-DiHDPA","C22H34O4","362.245709576","M+2H","ISgroup_10_151_13",1647754714.9,0.129
"HMDB10199",0,0,"5_1",178.12612,508.6,"Multiple",178.12759,8.25,"11b-PGF2a","C20H34O5","354.240624198","M+2H","ISgroup_5_514_13",29081289.6,0.126
"HMDB10170",0,0,"5_1",178.12612,508.6,"Multiple",178.12759,8.25,"111215-TriHETRE","C20H34O5","354.240624198","M+2H","ISgroup_5_514_13",29081289.6,0.126
"HMDB09946",0,0,"2_1",460.26945,686.1,"Multiple",460.26901,0.96,"PIP(18:016:0)","C43H84O16P2","918.523459664","M+2H","ISgroup_2_863_27",8637562.8,0.269
"HMDB09923",0,0,"2_1",460.26945,686.1,"Multiple",460.26901,0.96,"PIP(16:018:0)","C43H84O16P2","918.523459664","M+2H","ISgroup_2_863_27",8637562.8,0.269
"HMDB09756",0,0,"5_1",420.31926,1046.2,"Multiple",420.31728,4.71,"PE(24:1(15Z)18:4(6Z9Z12Z15Z))","C47H84NO8P","821.593455181","M+H+NH4","ISgroup_5_1417_32",454599515.9,0.319
"HMDB09755",0,0,"5_1",421.32203,1090.4,"Multiple",421.3251,7.29,"PE(24:1(15Z)18:3(9Z12Z15Z))","C47H86NO8P","823.609105245","M+H+NH4","ISgroup_5_1497_33",59762569.5,0.322
"HMDB09754",0,0,"5_1",421.32203,1090.4,"Multiple",421.3251,7.29,"PE(24:1(15Z)18:3(6Z9Z12Z))","C47H86NO8P","823.609105245","M+H+NH4","ISgroup_5_1497_33",59762569.5,0.322
"HMDB09749",0,0,"5_1",421.32203,1090.4,"Multiple",421.3251,7.29,"PE(24:1(15Z)16:1(9Z))","C45H86NO8P","799.609105245","M+ACN+2H","ISgroup_5_1497_33",59762569.5,0.322
"HMDB09723",0,0,"5_1",421.32203,1090.4,"Multiple",421.3251,7.29,"PE(24:018:4(6Z9Z12Z15Z))","C47H86NO8P","823.609105245","M+H+NH4","ISgroup_5_1497_33",59762569.5,0.322
"HMDB09658",0,0,"5_1",420.31926,1046.2,"Multiple",420.31728,4.71,"PE(22:5(7Z10Z13Z16Z19Z)20:0)","C47H84NO8P","821.593455181","M+H+NH4","ISgroup_5_1417_32",454599515.9,0.319
"HMDB09649",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(22:5(7Z10Z13Z16Z19Z)16:0)","C43H76NO8P","765.530854925","M+H+NH4","ISgroup_10_1528_29",24986046.9,0.288
"HMDB09625",0,0,"5_1",420.31926,1046.2,"Multiple",420.31728,4.71,"PE(22:5(4Z7Z10Z13Z16Z)20:0)","C47H84NO8P","821.593455181","M+H+NH4","ISgroup_5_1417_32",454599515.9,0.319
"HMDB09616",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(22:5(4Z7Z10Z13Z16Z)16:0)","C43H76NO8P","765.530854925","M+H+NH4","ISgroup_10_1528_29",24986046.9,0.288
"HMDB09593",0,0,"5_1",420.31926,1046.2,"Multiple",420.31728,4.71,"PE(22:4(7Z10Z13Z16Z)20:1(11Z))","C47H84NO8P","821.593455181","M+H+NH4","ISgroup_5_1417_32",454599515.9,0.319
"HMDB09592",0,0,"5_1",421.32203,1090.4,"Multiple",421.3251,7.29,"PE(22:4(7Z10Z13Z16Z)20:0)","C47H86NO8P","823.609105245","M+H+NH4","ISgroup_5_1497_33",59762569.5,0.322
"HMDB09584",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(22:4(7Z10Z13Z16Z)16:1(9Z))","C43H76NO8P","765.530854925","M+H+NH4","ISgroup_10_1528_29",24986046.9,0.288
"HMDB09563",0,0,"5_1",420.31926,1046.2,"Multiple",420.31728,4.71,"PE(22:2(13Z16Z)20:3(8Z11Z14Z))","C47H84NO8P","821.593455181","M+H+NH4","ISgroup_5_1417_32",454599515.9,0.319
"HMDB09562",0,0,"5_1",420.31926,1046.2,"Multiple",420.31728,4.71,"PE(22:2(13Z16Z)20:3(5Z8Z11Z))","C47H84NO8P","821.593455181","M+H+NH4","ISgroup_5_1417_32",454599515.9,0.319
"HMDB09561",0,0,"5_1",421.32203,1090.4,"Multiple",421.3251,7.29,"PE(22:2(13Z16Z)20:2(11Z14Z))","C47H86NO8P","823.609105245","M+H+NH4","ISgroup_5_1497_33",59762569.5,0.322
"HMDB09554",0,0,"5_1",420.31926,1046.2,"Multiple",420.31728,4.71,"PE(22:2(13Z16Z)18:1(9Z))","C45H84NO8P","797.593455181","M+ACN+2H","ISgroup_5_1417_32",454599515.9,0.319
"HMDB09553",0,0,"5_1",420.31926,1046.2,"Multiple",420.31728,4.71,"PE(22:2(13Z16Z)18:1(11Z))","C45H84NO8P","797.593455181","M+ACN+2H","ISgroup_5_1417_32",454599515.9,0.319
"HMDB09552",0,0,"5_1",421.32203,1090.4,"Multiple",421.3251,7.29,"PE(22:2(13Z16Z)18:0)","C45H86NO8P","799.609105245","M+ACN+2H","ISgroup_5_1497_33",59762569.5,0.322
"HMDB09548",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(22:2(13Z16Z)14:1(9Z))","C41H76NO8P","741.530854925","M+ACN+2H","ISgroup_10_1528_29",24986046.9,0.288
"HMDB09532",0,0,"5_1",420.31926,1046.2,"Multiple",420.31728,4.71,"PE(22:1(13Z)20:4(8Z11Z14Z17Z))","C47H84NO8P","821.593455181","M+H+NH4","ISgroup_5_1417_32",454599515.9,0.319
"HMDB09531",0,0,"5_1",420.31926,1046.2,"Multiple",420.31728,4.71,"PE(22:1(13Z)20:4(5Z8Z11Z14Z))","C47H84NO8P","821.593455181","M+H+NH4","ISgroup_5_1417_32",454599515.9,0.319
"HMDB09530",0,0,"5_1",421.32203,1090.4,"Multiple",421.3251,7.29,"PE(22:1(13Z)20:3(8Z11Z14Z))","C47H86NO8P","823.609105245","M+H+NH4","ISgroup_5_1497_33",59762569.5,0.322
"HMDB09529",0,0,"5_1",421.32203,1090.4,"Multiple",421.3251,7.29,"PE(22:1(13Z)20:3(5Z8Z11Z))","C47H86NO8P","823.609105245","M+H+NH4","ISgroup_5_1497_33",59762569.5,0.322
"HMDB09522",0,0,"5_1",420.31926,1046.2,"Multiple",420.31728,4.71,"PE(22:1(13Z)18:2(9Z12Z))","C45H84NO8P","797.593455181","M+ACN+2H","ISgroup_5_1417_32",454599515.9,0.319
"HMDB09521",0,0,"5_1",421.32203,1090.4,"Multiple",421.3251,7.29,"PE(22:1(13Z)18:1(9Z))","C45H86NO8P","799.609105245","M+ACN+2H","ISgroup_5_1497_33",59762569.5,0.322
"HMDB09520",0,0,"5_1",421.32203,1090.4,"Multiple",421.3251,7.29,"PE(22:1(13Z)18:1(11Z))","C45H86NO8P","799.609105245","M+ACN+2H","ISgroup_5_1497_33",59762569.5,0.322
"HMDB09500",0,0,"5_1",420.31926,1046.2,"Multiple",420.31728,4.71,"PE(22:020:5(5Z8Z11Z14Z17Z))","C47H84NO8P","821.593455181","M+H+NH4","ISgroup_5_1417_32",454599515.9,0.319
"HMDB09499",0,0,"5_1",421.32203,1090.4,"Multiple",421.3251,7.29,"PE(22:020:4(8Z11Z14Z17Z))","C47H86NO8P","823.609105245","M+H+NH4","ISgroup_5_1497_33",59762569.5,0.322
"HMDB09498",0,0,"5_1",421.32203,1090.4,"Multiple",421.3251,7.29,"PE(22:020:4(5Z8Z11Z14Z))","C47H86NO8P","823.609105245","M+H+NH4","ISgroup_5_1497_33",59762569.5,0.322
"HMDB09491",0,0,"5_1",420.31926,1046.2,"Multiple",420.31728,4.71,"PE(22:018:3(9Z12Z15Z))","C45H84NO8P","797.593455181","M+ACN+2H","ISgroup_5_1417_32",454599515.9,0.319
"HMDB09490",0,0,"5_1",420.31926,1046.2,"Multiple",420.31728,4.71,"PE(22:018:3(6Z9Z12Z))","C45H84NO8P","797.593455181","M+ACN+2H","ISgroup_5_1417_32",454599515.9,0.319
"HMDB09489",0,0,"5_1",421.32203,1090.4,"Multiple",421.3251,7.29,"PE(22:018:2(9Z12Z))","C45H86NO8P","799.609105245","M+ACN+2H","ISgroup_5_1497_33",59762569.5,0.322
"HMDB09468",0,0,"5_1",420.31926,1046.2,"Multiple",420.31728,4.71,"PE(20:5(5Z8Z11Z14Z17Z)22:0)","C47H84NO8P","821.593455181","M+H+NH4","ISgroup_5_1417_32",454599515.9,0.319
"HMDB09459",0,0,"2_1",388.25397,369.4,"Multiple",388.25468,1.83,"PE(20:5(5Z8Z11Z14Z17Z)18:4(6Z9Z12Z15Z))","C43H68NO8P","757.468254669","M+H+NH4","ISgroup_2_245_26",4827376.6,0.254
"HMDB09453",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(20:5(5Z8Z11Z14Z17Z)18:0)","C43H76NO8P","765.530854925","M+H+NH4","ISgroup_10_1528_29",24986046.9,0.288
"HMDB09436",0,0,"5_1",420.31926,1046.2,"Multiple",420.31728,4.71,"PE(20:4(8Z11Z14Z17Z)22:1(13Z))","C47H84NO8P","821.593455181","M+H+NH4","ISgroup_5_1417_32",454599515.9,0.319
"HMDB09435",0,0,"5_1",421.32203,1090.4,"Multiple",421.3251,7.29,"PE(20:4(8Z11Z14Z17Z)22:0)","C47H86NO8P","823.609105245","M+H+NH4","ISgroup_5_1497_33",59762569.5,0.322
"HMDB09422",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(20:4(8Z11Z14Z17Z)18:1(9Z))","C43H76NO8P","765.530854925","M+H+NH4","ISgroup_10_1528_29",24986046.9,0.288
"HMDB09421",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(20:4(8Z11Z14Z17Z)18:1(11Z))","C43H76NO8P","765.530854925","M+H+NH4","ISgroup_10_1528_29",24986046.9,0.288
"HMDB09403",0,0,"5_1",420.31926,1046.2,"Multiple",420.31728,4.71,"PE(20:4(5Z8Z11Z14Z)22:1(13Z))","C47H84NO8P","821.593455181","M+H+NH4","ISgroup_5_1417_32",454599515.9,0.319
"HMDB09402",0,0,"5_1",421.32203,1090.4,"Multiple",421.3251,7.29,"PE(20:4(5Z8Z11Z14Z)22:0)","C47H86NO8P","823.609105245","M+H+NH4","ISgroup_5_1497_33",59762569.5,0.322
"HMDB09389",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(20:4(5Z8Z11Z14Z)18:1(9Z))","C43H76NO8P","765.530854925","M+H+NH4","ISgroup_10_1528_29",24986046.9,0.288
"HMDB09388",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(20:4(5Z8Z11Z14Z)18:1(11Z))","C43H76NO8P","765.530854925","M+H+NH4","ISgroup_10_1528_29",24986046.9,0.288
"HMDB09371",0,0,"5_1",420.31926,1046.2,"Multiple",420.31728,4.71,"PE(20:3(8Z11Z14Z)22:2(13Z16Z))","C47H84NO8P","821.593455181","M+H+NH4","ISgroup_5_1417_32",454599515.9,0.319
"HMDB09370",0,0,"5_1",421.32203,1090.4,"Multiple",421.3251,7.29,"PE(20:3(8Z11Z14Z)22:1(13Z))","C47H86NO8P","823.609105245","M+H+NH4","ISgroup_5_1497_33",59762569.5,0.322
"HMDB09361",0,0,"5_1",420.31926,1046.2,"Multiple",420.31728,4.71,"PE(20:3(8Z11Z14Z)20:0)","C45H84NO8P","797.593455181","M+ACN+2H","ISgroup_5_1417_32",454599515.9,0.319
"HMDB09357",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(20:3(8Z11Z14Z)18:2(9Z12Z))","C43H76NO8P","765.530854925","M+H+NH4","ISgroup_10_1528_29",24986046.9,0.288
"HMDB09352",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(20:3(8Z11Z14Z)16:0)","C41H76NO8P","741.530854925","M+ACN+2H","ISgroup_10_1528_29",24986046.9,0.288
"HMDB09338",0,0,"5_1",420.31926,1046.2,"Multiple",420.31728,4.71,"PE(20:3(5Z8Z11Z)22:2(13Z16Z))","C47H84NO8P","821.593455181","M+H+NH4","ISgroup_5_1417_32",454599515.9,0.319
"HMDB09337",0,0,"5_1",421.32203,1090.4,"Multiple",421.3251,7.29,"PE(20:3(5Z8Z11Z)22:1(13Z))","C47H86NO8P","823.609105245","M+H+NH4","ISgroup_5_1497_33",59762569.5,0.322
"HMDB09328",0,0,"5_1",420.31926,1046.2,"Multiple",420.31728,4.71,"PE(20:3(5Z8Z11Z)20:0)","C45H84NO8P","797.593455181","M+ACN+2H","ISgroup_5_1417_32",454599515.9,0.319
"HMDB09324",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(20:3(5Z8Z11Z)18:2(9Z12Z))","C43H76NO8P","765.530854925","M+H+NH4","ISgroup_10_1528_29",24986046.9,0.288
"HMDB09319",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(20:3(5Z8Z11Z)16:0)","C41H76NO8P","741.530854925","M+ACN+2H","ISgroup_10_1528_29",24986046.9,0.288
"HMDB09305",0,0,"5_1",421.32203,1090.4,"Multiple",421.3251,7.29,"PE(20:2(11Z14Z)22:2(13Z16Z))","C47H86NO8P","823.609105245","M+H+NH4","ISgroup_5_1497_33",59762569.5,0.322
"HMDB09296",0,0,"5_1",420.31926,1046.2,"Multiple",420.31728,4.71,"PE(20:2(11Z14Z)20:1(11Z))","C45H84NO8P","797.593455181","M+ACN+2H","ISgroup_5_1417_32",454599515.9,0.319
"HMDB09295",0,0,"5_1",421.32203,1090.4,"Multiple",421.3251,7.29,"PE(20:2(11Z14Z)20:0)","C45H86NO8P","799.609105245","M+ACN+2H","ISgroup_5_1497_33",59762569.5,0.322
"HMDB09293",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(20:2(11Z14Z)18:3(9Z12Z15Z))","C43H76NO8P","765.530854925","M+H+NH4","ISgroup_10_1528_29",24986046.9,0.288
"HMDB09292",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(20:2(11Z14Z)18:3(6Z9Z12Z))","C43H76NO8P","765.530854925","M+H+NH4","ISgroup_10_1528_29",24986046.9,0.288
"HMDB09287",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(20:2(11Z14Z)16:1(9Z))","C41H76NO8P","741.530854925","M+ACN+2H","ISgroup_10_1528_29",24986046.9,0.288
"HMDB09273",0,0,"5_1",420.31926,1046.2,"Multiple",420.31728,4.71,"PE(20:1(11Z)22:4(7Z10Z13Z16Z))","C47H84NO8P","821.593455181","M+H+NH4","ISgroup_5_1417_32",454599515.9,0.319
"HMDB09264",0,0,"5_1",420.31926,1046.2,"Multiple",420.31728,4.71,"PE(20:1(11Z)20:2(11Z14Z))","C45H84NO8P","797.593455181","M+ACN+2H","ISgroup_5_1417_32",454599515.9,0.319
"HMDB09263",0,0,"5_1",421.32203,1090.4,"Multiple",421.3251,7.29,"PE(20:1(11Z)20:1(11Z))","C45H86NO8P","799.609105245","M+ACN+2H","ISgroup_5_1497_33",59762569.5,0.322
"HMDB09261",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(20:1(11Z)18:4(6Z9Z12Z15Z))","C43H76NO8P","765.530854925","M+H+NH4","ISgroup_10_1528_29",24986046.9,0.288
"HMDB09242",0,0,"5_1",420.31926,1046.2,"Multiple",420.31728,4.71,"PE(20:022:5(7Z10Z13Z16Z19Z))","C47H84NO8P","821.593455181","M+H+NH4","ISgroup_5_1417_32",454599515.9,0.319
"HMDB09241",0,0,"5_1",420.31926,1046.2,"Multiple",420.31728,4.71,"PE(20:022:5(4Z7Z10Z13Z16Z))","C47H84NO8P","821.593455181","M+H+NH4","ISgroup_5_1417_32",454599515.9,0.319
"HMDB09240",0,0,"5_1",421.32203,1090.4,"Multiple",421.3251,7.29,"PE(20:022:4(7Z10Z13Z16Z))","C47H86NO8P","823.609105245","M+H+NH4","ISgroup_5_1497_33",59762569.5,0.322
"HMDB09233",0,0,"5_1",420.31926,1046.2,"Multiple",420.31728,4.71,"PE(20:020:3(8Z11Z14Z))","C45H84NO8P","797.593455181","M+ACN+2H","ISgroup_5_1417_32",454599515.9,0.319
"HMDB09232",0,0,"5_1",420.31926,1046.2,"Multiple",420.31728,4.71,"PE(20:020:3(5Z8Z11Z))","C45H84NO8P","797.593455181","M+ACN+2H","ISgroup_5_1417_32",454599515.9,0.319
"HMDB09231",0,0,"5_1",421.32203,1090.4,"Multiple",421.3251,7.29,"PE(20:020:2(11Z14Z))","C45H86NO8P","799.609105245","M+ACN+2H","ISgroup_5_1497_33",59762569.5,0.322
"HMDB09212",0,0,"5_1",420.31926,1046.2,"Multiple",420.31728,4.71,"PE(18:4(6Z9Z12Z15Z)24:1(15Z))","C47H84NO8P","821.593455181","M+H+NH4","ISgroup_5_1417_32",454599515.9,0.319
"HMDB09211",0,0,"5_1",421.32203,1090.4,"Multiple",421.3251,7.29,"PE(18:4(6Z9Z12Z15Z)24:0)","C47H86NO8P","823.609105245","M+H+NH4","ISgroup_5_1497_33",59762569.5,0.322
"HMDB09203",0,0,"2_1",388.25397,369.4,"Multiple",388.25468,1.83,"PE(18:4(6Z9Z12Z15Z)20:5(5Z8Z11Z14Z17Z))","C43H68NO8P","757.468254669","M+H+NH4","ISgroup_2_245_26",4827376.6,0.254
"HMDB09197",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(18:4(6Z9Z12Z15Z)20:1(11Z))","C43H76NO8P","765.530854925","M+H+NH4","ISgroup_10_1528_29",24986046.9,0.288
"HMDB09179",0,0,"5_1",421.32203,1090.4,"Multiple",421.3251,7.29,"PE(18:3(9Z12Z15Z)24:1(15Z))","C47H86NO8P","823.609105245","M+H+NH4","ISgroup_5_1497_33",59762569.5,0.322
"HMDB09171",0,0,"5_1",420.31926,1046.2,"Multiple",420.31728,4.71,"PE(18:3(9Z12Z15Z)22:0)","C45H84NO8P","797.593455181","M+ACN+2H","ISgroup_5_1417_32",454599515.9,0.319
"HMDB09165",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(18:3(9Z12Z15Z)20:2(11Z14Z))","C43H76NO8P","765.530854925","M+H+NH4","ISgroup_10_1528_29",24986046.9,0.288
"HMDB09156",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(18:3(9Z12Z15Z)18:0)","C41H76NO8P","741.530854925","M+ACN+2H","ISgroup_10_1528_29",24986046.9,0.288
"HMDB09146",0,0,"5_1",421.32203,1090.4,"Multiple",421.3251,7.29,"PE(18:3(6Z9Z12Z)24:1(15Z))","C47H86NO8P","823.609105245","M+H+NH4","ISgroup_5_1497_33",59762569.5,0.322
"HMDB09138",0,0,"5_1",420.31926,1046.2,"Multiple",420.31728,4.71,"PE(18:3(6Z9Z12Z)22:0)","C45H84NO8P","797.593455181","M+ACN+2H","ISgroup_5_1417_32",454599515.9,0.319
"HMDB09132",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(18:3(6Z9Z12Z)20:2(11Z14Z))","C43H76NO8P","765.530854925","M+H+NH4","ISgroup_10_1528_29",24986046.9,0.288
"HMDB09123",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(18:3(6Z9Z12Z)18:0)","C41H76NO8P","741.530854925","M+ACN+2H","ISgroup_10_1528_29",24986046.9,0.288
"HMDB09106",0,0,"5_1",420.31926,1046.2,"Multiple",420.31728,4.71,"PE(18:2(9Z12Z)22:1(13Z))","C45H84NO8P","797.593455181","M+ACN+2H","ISgroup_5_1417_32",454599515.9,0.319
"HMDB09105",0,0,"5_1",421.32203,1090.4,"Multiple",421.3251,7.29,"PE(18:2(9Z12Z)22:0)","C45H86NO8P","799.609105245","M+ACN+2H","ISgroup_5_1497_33",59762569.5,0.322
"HMDB09101",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(18:2(9Z12Z)20:3(8Z11Z14Z))","C43H76NO8P","765.530854925","M+H+NH4","ISgroup_10_1528_29",24986046.9,0.288
"HMDB09100",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(18:2(9Z12Z)20:3(5Z8Z11Z))","C43H76NO8P","765.530854925","M+H+NH4","ISgroup_10_1528_29",24986046.9,0.288
"HMDB09092",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(18:2(9Z12Z)18:1(9Z))","C41H76NO8P","741.530854925","M+ACN+2H","ISgroup_10_1528_29",24986046.9,0.288
"HMDB09091",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(18:2(9Z12Z)18:1(11Z))","C41H76NO8P","741.530854925","M+ACN+2H","ISgroup_10_1528_29",24986046.9,0.288
"HMDB09074",0,0,"5_1",420.31926,1046.2,"Multiple",420.31728,4.71,"PE(18:1(9Z)22:2(13Z16Z))","C45H84NO8P","797.593455181","M+ACN+2H","ISgroup_5_1417_32",454599515.9,0.319
"HMDB09073",0,0,"5_1",421.32203,1090.4,"Multiple",421.3251,7.29,"PE(18:1(9Z)22:1(13Z))","C45H86NO8P","799.609105245","M+ACN+2H","ISgroup_5_1497_33",59762569.5,0.322
"HMDB09070",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(18:1(9Z)20:4(8Z11Z14Z17Z))","C43H76NO8P","765.530854925","M+H+NH4","ISgroup_10_1528_29",24986046.9,0.288
"HMDB09069",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(18:1(9Z)20:4(5Z8Z11Z14Z))","C43H76NO8P","765.530854925","M+H+NH4","ISgroup_10_1528_29",24986046.9,0.288
"HMDB09060",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(18:1(9Z)18:2(9Z12Z))","C41H76NO8P","741.530854925","M+ACN+2H","ISgroup_10_1528_29",24986046.9,0.288
"HMDB09041",0,0,"5_1",420.31926,1046.2,"Multiple",420.31728,4.71,"PE(18:1(11Z)22:2(13Z16Z))","C45H84NO8P","797.593455181","M+ACN+2H","ISgroup_5_1417_32",454599515.9,0.319
"HMDB09040",0,0,"5_1",421.32203,1090.4,"Multiple",421.3251,7.29,"PE(18:1(11Z)22:1(13Z))","C45H86NO8P","799.609105245","M+ACN+2H","ISgroup_5_1497_33",59762569.5,0.322
"HMDB09037",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(18:1(11Z)20:4(8Z11Z14Z17Z))","C43H76NO8P","765.530854925","M+H+NH4","ISgroup_10_1528_29",24986046.9,0.288
"HMDB09036",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(18:1(11Z)20:4(5Z8Z11Z14Z))","C43H76NO8P","765.530854925","M+H+NH4","ISgroup_10_1528_29",24986046.9,0.288
"HMDB09027",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(18:1(11Z)18:2(9Z12Z))","C41H76NO8P","741.530854925","M+ACN+2H","ISgroup_10_1528_29",24986046.9,0.288
"HMDB09008",0,0,"5_1",421.32203,1090.4,"Multiple",421.3251,7.29,"PE(18:022:2(13Z16Z))","C45H86NO8P","799.609105245","M+ACN+2H","ISgroup_5_1497_33",59762569.5,0.322
"HMDB09005",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(18:020:5(5Z8Z11Z14Z17Z))","C43H76NO8P","765.530854925","M+H+NH4","ISgroup_10_1528_29",24986046.9,0.288
"HMDB08996",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(18:018:3(9Z12Z15Z))","C41H76NO8P","741.530854925","M+ACN+2H","ISgroup_10_1528_29",24986046.9,0.288
"HMDB08995",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(18:018:3(6Z9Z12Z))","C41H76NO8P","741.530854925","M+ACN+2H","ISgroup_10_1528_29",24986046.9,0.288
"HMDB08981",0,0,"5_1",421.32203,1090.4,"Multiple",421.3251,7.29,"PE(16:1(9Z)24:1(15Z))","C45H86NO8P","799.609105245","M+ACN+2H","ISgroup_5_1497_33",59762569.5,0.322
"HMDB08976",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(16:1(9Z)22:4(7Z10Z13Z16Z))","C43H76NO8P","765.530854925","M+H+NH4","ISgroup_10_1528_29",24986046.9,0.288
"HMDB08967",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(16:1(9Z)20:2(11Z14Z))","C41H76NO8P","741.530854925","M+ACN+2H","ISgroup_10_1528_29",24986046.9,0.288
"HMDB08945",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(16:022:5(7Z10Z13Z16Z19Z))","C43H76NO8P","765.530854925","M+H+NH4","ISgroup_10_1528_29",24986046.9,0.288
"HMDB08944",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(16:022:5(4Z7Z10Z13Z16Z))","C43H76NO8P","765.530854925","M+H+NH4","ISgroup_10_1528_29",24986046.9,0.288
"HMDB08936",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(16:020:3(8Z11Z14Z))","C41H76NO8P","741.530854925","M+ACN+2H","ISgroup_10_1528_29",24986046.9,0.288
"HMDB08935",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(16:020:3(5Z8Z11Z))","C41H76NO8P","741.530854925","M+ACN+2H","ISgroup_10_1528_29",24986046.9,0.288
"HMDB08876",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(14:1(9Z)22:2(13Z16Z))","C41H76NO8P","741.530854925","M+ACN+2H","ISgroup_10_1528_29",24986046.9,0.288
"HMDB08784",0,0,"2_1",424.36347,954.8,"Multiple",424.36677,7.78,"PC(24:0P-16:0)","C48H96NO7P","829.692440943","M+H+NH4","ISgroup_2_1371_37",81153719.3,0.363
"HMDB08592",0,0,"5_1",421.32203,1090.4,"Multiple",421.3251,7.29,"PC(22:2(13Z16Z)15:0)","C45H86NO8P","799.609105245","M+ACN+2H","ISgroup_5_1497_33",59762569.5,0.322
"HMDB08555",0,0,"2_1",424.36347,954.8,"Multiple",424.36677,7.78,"PC(22:0P-18:0)","C48H96NO7P","829.692440943","M+H+NH4","ISgroup_2_1371_37",81153719.3,0.363
"HMDB08494",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PC(20:5(5Z8Z11Z14Z17Z)15:0)","C43H76NO8P","765.530854925","M+H+NH4","ISgroup_10_1528_29",24986046.9,0.288
"HMDB08198",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PC(18:3(9Z12Z15Z)15:0)","C41H76NO8P","741.530854925","M+ACN+2H","ISgroup_10_1528_29",24986046.9,0.288
"HMDB02171",3,267326732.673267,"10_1",287.14162,739.1,"Multiple",NA,NA,"Glycylprolylhydroxyproline","C12H19N3O5","-","M+H_[+1]","ISgroup_10_958_15",97468106.2083333,0.141619999999989
"HMDB02194",2,1e+05,"1_1",264.05614,699.7,"Multiple",264.05363,9.51,"N-acetyl-S-(3-oxo-3-carboxy-n-propyl)cysteine","C9H13NO6S","263.046357843","M+H","ISgroup_1_918_6",38780362.4,0.056
"HMDB02234",2,1e+05,"5_1",130.05035,503.7,"Multiple",130.04987,3.69,"1-Pyrroline-4-hydroxy-2-carboxylate","C5H7NO3","129.042593095","M+H","ISgroup_5_507_6",73329969.6,0.05
"HMDB02236",2,1e+05,"5_1",337.23515,858.6,"Multiple",337.23734,6.49,"8-iso-PGA1","C20H32O4","336.230059512","M+H","ISgroup_5_1129_24",29401790.1,0.235
"HMDB02294",2,1e+05,"5_1",377.23564,882.5,"Multiple",377.23225,8.99,"Resolvin D2","C22H32O5","376.224974134","M+H","ISgroup_5_1171_24",68665550.8,0.236
"HMDB02372",3,4764705.88235295,"10_1",284.12795,379.4,"Multiple",284.12812,0.6,"N-Phenylacetylphenylalanine","C17H17NO3","283.120843415","M+H","ISgroup_10_279_13",215413053.4,0.128
"HMDB02472",0,0,"1_1",330.19084,594.8,"Unique",330.19111,0.82,"(3a5b7a12a)-24-(carboxymethyl)amino-112-dihydroxy-24-oxocholan-3-yl-b-D-Glucopyranosiduronic acid","C32H51NO12","641.341126101","M+H+NH4","ISgroup_1_712_20",9707233.7,0.191
"HMDB02520",2,1e+05,"11_1",173.02248,575.3,"Multiple",173.02095,8.84,"Beta-Glycerophosphoric acid","C3H9O6P","172.013674532","M+H","ISgroup_11_70_3",24325532.1,0.022
"HMDB02656",2,1e+05,"5_1",337.23515,858.6,"Multiple",337.23734,6.49,"Prostaglandin A1","C20H32O4","336.230059512","M+H","ISgroup_5_1129_24",29401790.1,0.235
"HMDB02817",0,0,"10_1",160.05025,295.6,"Multiple",160.04868,9.81,"N-Acetylglucosamine 6-phosphate","C8H16NO9P","301.056267627","M+H+NH4","ISgroup_10_125_6",91668458.7,0.05
"HMDB02982",2,1e+05,"5_1",337.23515,858.6,"Multiple",337.23734,6.49,"Prostaglandin B1","C20H32O4","336.230059512","M+H","ISgroup_5_1129_24",29401790.1,0.235
"HMDB03331",2,1e+05,"10_1",282.11937,380.4,"Multiple",282.11968,1.1,"1-Methyladenosine","C11H15N5O4","281.112403993","M+H","ISgroup_10_279_12",42054546.4,0.119
"HMDB03357",2,1e+05,"5_1",175.10605,667.3,"Multiple",175.10772,9.54,"N-Acetylornithine","C7H14N2O3","174.100442324","M+H","ISgroup_5_809_11",12060923.8,0.106
"HMDB03553",0,0,"2_1",334.11633,775.4,"Multiple",334.11821,5.63,"Stachyose","C24H42O21","666.221858406","M+2H","ISgroup_2_1024_12",9748008,0.116
"HMDB03555",0,0,"5_1",226.18037,751.9,"Multiple",226.18217,7.96,"Vitamin K1","C31H46O2","450.349780716","M+2H","ISgroup_5_941_19",59875437,0.18
"HMDB03563",3,4764705.88235295,"10_1",284.12795,379.4,"Multiple",284.12812,0.6,"Morphinone","C17H17NO3","283.120843415","M+H","ISgroup_10_279_13",215413053.4,0.128
"HMDB03626",2,1e+05,"7_1",194.11787,331.7,"Multiple",194.11755,1.65,"(R)-N-Methylsalsolinol","C11H15NO2","193.110278729","M+H","ISgroup_7_139_12",208820429.9,0.118
"HMDB03733",2,1e+05,"5_1",377.23564,882.5,"Multiple",377.23225,8.99,"Resolvin D1","C22H32O5","376.224974134","M+H","ISgroup_5_1171_24",68665550.8,0.236
"HMDB03747",2,1e+05,"5_1",229.08627,738.6,"Multiple",229.08592,1.53,"Resveratrol","C14H12O3","228.07864425","M+H","ISgroup_5_921_9",258002946.6,0.086
"HMDB03892",2,1e+05,"7_1",194.11787,331.7,"Multiple",194.11755,1.65,"(S)-N-Methylsalsolinol","C11H15NO2","193.110278729","M+H","ISgroup_7_139_12",208820429.9,0.118
"HMDB04044",2,1e+05,"10_1",282.11937,380.4,"Multiple",282.11968,1.1,"N6-Methyladenosine","C11H15N5O4","281.112403993","M+H","ISgroup_10_279_12",42054546.4,0.119
"HMDB04063",2,1e+05,"5_1",198.11108,524.4,"Multiple",198.11247,7.02,"Metanephrine","C10H15NO3","197.105193351","M+H","ISgroup_5_543_12",7900657.4,0.111
"HMDB04087",0,0,"10_1",133.08894,707.1,"Multiple",133.0886,2.55,"1-Benzyl-1234-tetrahydroisoquinoline","C16H17N","223.136099549","M+ACN+2H","ISgroup_10_907_9",52691997.1,0.089
"HMDB04198",0,0,"5_1",226.18037,751.9,"Multiple",226.18217,7.96,"Reduced Vitamin K (phylloquinone)","C31H46O2","450.349780716","M+2H","ISgroup_5_941_19",59875437,0.18
"HMDB04243",2,1e+05,"5_1",337.23515,858.6,"Multiple",337.23734,6.49,"12(S)-HPETE","C20H32O4","336.230059512","M+H","ISgroup_5_1129_24",29401790.1,0.235
"HMDB04244",2,1e+05,"5_1",337.23515,858.6,"Multiple",337.23734,6.49,"15(S)-HPETE","C20H32O4","336.230059512","M+H","ISgroup_5_1129_24",29401790.1,0.235
"HMDB04259",2,1e+05,"9_1",265.1158,502.3,"Multiple",265.11828,9.35,"Acetyl-N-formyl-5-methoxykynurenamine","C13H16N2O4","264.11100701","M+H","ISgroup_9_529_12",99131198.4,0.116
"HMDB04326",2,1e+05,"10_1",282.11937,380.4,"Multiple",282.11968,1.1,"2-O-Methyladenosine","C11H15N5O4","281.112403993","M+H","ISgroup_10_279_12",42054546.4,0.119
"HMDB04684",0,0,"5_1",178.12612,508.6,"Multiple",178.12759,8.25,"111215-THETA","C20H34O5","354.240624198","M+2H","ISgroup_5_514_13",29081289.6,0.126
"HMDB04685",0,0,"5_1",178.12612,508.6,"Multiple",178.12759,8.25,"1314-Dihydro-15-keto PGF2a","C20H34O5","354.240624198","M+2H","ISgroup_5_514_13",29081289.6,0.126
"HMDB04686",0,0,"5_1",178.12612,508.6,"Multiple",178.12759,8.25,"8-Isoprostaglandin E1","C20H34O5","354.240624198","M+2H","ISgroup_5_514_13",29081289.6,0.126
"HMDB04688",2,1e+05,"5_1",337.23515,858.6,"Multiple",337.23734,6.49,"Hepoxilin A3","C20H32O4","336.230059512","M+H","ISgroup_5_1129_24",29401790.1,0.235
"HMDB04690",2,1e+05,"5_1",337.23515,858.6,"Multiple",337.23734,6.49,"Hepoxilin B3","C20H32O4","336.230059512","M+H","ISgroup_5_1129_24",29401790.1,0.235
"HMDB04692",2,1e+05,"5_1",337.23515,858.6,"Multiple",337.23734,6.49,"12(R)-HPETE","C20H32O4","336.230059512","M+H","ISgroup_5_1129_24",29401790.1,0.235
"HMDB04693",2,1e+05,"5_1",337.23515,858.6,"Multiple",337.23734,6.49,"11H-1415-EETA","C20H32O4","336.230059512","M+H","ISgroup_5_1129_24",29401790.1,0.235
"HMDB04694",0,0,"5_1",178.12612,508.6,"Multiple",178.12759,8.25,"111415-THETA","C20H34O5","354.240624198","M+2H","ISgroup_5_514_13",29081289.6,0.126
"HMDB04696",2,1e+05,"5_1",337.23515,858.6,"Multiple",337.23734,6.49,"11(R)-HPETE","C20H32O4","336.230059512","M+H","ISgroup_5_1129_24",29401790.1,0.235
"HMDB04699",2,1e+05,"5_1",337.23515,858.6,"Multiple",337.23734,6.49,"8(S)-HPETE","C20H32O4","336.230059512","M+H","ISgroup_5_1129_24",29401790.1,0.235
"HMDB04704",2,1e+05,"5_1",315.25297,886.3,"Multiple",315.25299,0.06,"910-DHOME","C18H34O4","314.245709576","M+H","ISgroup_5_1178_26",12032470.7,0.253
"HMDB04705",2,1e+05,"5_1",315.25297,886.3,"Multiple",315.25299,0.06,"1213-DHOME","C18H34O4","314.245709576","M+H","ISgroup_5_1178_26",12032470.7,0.253
"HMDB04841",0,0,"10_1",494.89043,770.8,"Multiple",494.88657,7.8,"Galabiosylceramide (d18:125:0)","C55H105NO13","987.758592451","M+2H","ISgroup_10_1010_90",3706715.2,0.89
"HMDB04876",0,0,"10_1",494.89043,770.8,"Multiple",494.88657,7.8,"Lactosylceramide (d18:125:0)","C55H105NO13","987.758592451","M+2H","ISgroup_10_1010_90",3706715.2,0.89
"HMDB05039",0,0,"4_1",238.11047,597.1,"Unique",238.10974,3.07,"Sildenafil","C22H30N6O4S","474.204924168","M+2H","ISgroup_4_250_12",10134861.4,0.11
"HMDB05050",2,1e+05,"5_1",337.23515,858.6,"Multiple",337.23734,6.49,"15H-1112-EETA","C20H32O4","336.230059512","M+H","ISgroup_5_1129_24",29401790.1,0.235
"HMDB05083",0,0,"5_1",178.12612,508.6,"Multiple",178.12759,8.25,"8-Isoprostaglandin F2a","C20H34O5","354.240624198","M+2H","ISgroup_5_514_13",29081289.6,0.126
"HMDB05087",2,1e+05,"5_1",337.23515,858.6,"Multiple",337.23734,6.49,"6-trans-Leukotriene B4","C20H32O4","336.230059512","M+H","ISgroup_5_1129_24",29401790.1,0.235
"HMDB05088",2,1e+05,"5_1",337.23515,858.6,"Multiple",337.23734,6.49,"6-trans-12-epi-Leukotriene B4","C20H32O4","336.230059512","M+H","ISgroup_5_1129_24",29401790.1,0.235
"HMDB05089",2,1e+05,"5_1",337.23515,858.6,"Multiple",337.23734,6.49,"12(S)-Leukotriene B4","C20H32O4","336.230059512","M+H","ISgroup_5_1129_24",29401790.1,0.235
"HMDB05102",0,0,"5_1",178.12612,508.6,"Multiple",178.12759,8.25,"Prostaglandin D1","C20H34O5","354.240624198","M+2H","ISgroup_5_514_13",29081289.6,0.126
"HMDB05361",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(16:016:020:1(11Z))iso3","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB05367",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(16:018:018:1(9Z))iso6","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB05375",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(16:016:1(9Z)20:0)iso6","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB05389",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(16:018:2(9Z12Z)20:1(11Z))iso6","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB05405",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(18:018:1(9Z)18:2(9Z12Z))iso6","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB05421",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(16:1(9Z)18:018:0)iso3","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB05439",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(16:1(9Z)18:1(9Z)20:1(11Z))iso6","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB05444",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(16:1(9Z)18:2(9Z12Z)20:0)iso6","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB05453",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(18:1(9Z)18:1(9Z)18:1(9Z))iso","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB05800",0,0,"5_1",152.54526,1046.3,"Multiple",152.54442,5.51,"Luteolin","C15H10O6","286.047738052","M+H+NH4","ISgroup_5_1417_55",6847597,0.545
"HMDB05801",0,0,"5_1",152.54526,1046.3,"Multiple",152.54442,5.51,"Kaempferol","C15H10O6","286.047738052","M+H+NH4","ISgroup_5_1417_55",6847597,0.545
"HMDB06023",2,1e+05,"10_1",282.11937,380.4,"Multiple",282.11968,1.1,"3-O-Methyladenosine","C11H15N5O4","281.112403993","M+H","ISgroup_10_279_12",42054546.4,0.119
"HMDB06210",0,0,"2_1",216.19582,639.7,"Multiple",216.1958,0.09,"Heptadecanoyl carnitine","C24H47NO4","413.350508997","M+H+NH4","ISgroup_2_776_20",3469530.6,0.196
"HMDB06211",0,0,"5_1",164.03964,717.7,"Multiple",164.03865,6.04,"2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine","C6H12N3O8P","285.036200887","M+ACN+2H","ISgroup_5_896_4",7458392.2,0.04
"HMDB06321",0,0,"6_1",246.19747,237.3,"Multiple",246.1958,6.78,"Docosa-47101316-pentaenoyl carnitine","C29H47NO4","473.350508997","M+H+NH4","ISgroup_6_7_20",619525944.2,0.197
"HMDB06344",2,1e+05,"9_1",265.1158,502.3,"Multiple",265.11828,9.35,"Alpha-N-Phenylacetyl-L-glutamine","C13H16N2O4","264.11100701","M+H","ISgroup_9_529_12",99131198.4,0.116
"HMDB06357",2,1e+05,"1_1",189.03764,503.8,"Multiple",189.03936,9.1,"cis-2-Methylaconitate","C7H8O6","188.032087988","M+H","ISgroup_1_532_4",23576405.5,0.038
"HMDB06465",0,0,"10_1",285.14564,739.3,"Multiple",285.14819,8.94,"Leukotriene F4","C28H44N2O8S","568.281837084","M+2H","ISgroup_10_958_15",326959665.7,0.146
"HMDB06480",0,0,"10_1",160.05025,295.6,"Multiple",160.04868,9.81,"N-Acetyl-D-galactosamine 1-phosphate","C8H16NO9P","301.056267627","M+H+NH4","ISgroup_10_125_6",91668458.7,0.05
"HMDB06496",0,0,"6_1",246.19747,237.3,"Multiple",246.1958,6.78,"Clupanodonyl carnitine","C29H47NO4","473.350508997","M+H+NH4","ISgroup_6_7_20",619525944.2,0.197
"HMDB06562",0,0,"5_1",178.12612,508.6,"Multiple",178.12759,8.25,"8-iso-1314-dihydro-15-keto-PGF2a","C20H34O5","354.240624198","M+2H","ISgroup_5_514_13",29081289.6,0.126
"HMDB06710",0,0,"2_1",228.16332,541.7,"Multiple",228.16143,8.28,"Ubiquinone-4","C29H42O4","454.308309832","M+2H","ISgroup_2_586_17",192033031.5,0.163
"HMDB06802",2,1e+05,"5_1",216.02575,246.1,"Unique",216.02676,4.68,"O-Phospho-4-hydroxy-L-threonine","C4H10NO7P","215.019488191","M+H","ISgroup_5_13_3",50836543.8,0.026
"HMDB06944",2,1e+05,"5_1",537.16651,1022,"Unique",537.16614,0.69,"14-beta-D-Glucan","C18H32O18","536.15886422","M+H","ISgroup_5_1387_17",659638184.2,0.167
"HMDB07078",0,0,"2_1",326.79835,762.3,"Multiple",326.79736,3.03,"DG(15:020:00:0)","C38H74O5","610.553625478","M+ACN+2H","ISgroup_2_1003_80",307736.2,0.798
"HMDB07088",0,0,"2_1",326.79835,762.3,"Multiple",326.79736,3.03,"DG(15:022:2(13Z16Z)0:0)","C40H74O5","634.553625478","M+H+NH4","ISgroup_2_1003_80",307736.2,0.798
"HMDB07358",0,0,"2_1",326.79835,762.3,"Multiple",326.79736,3.03,"DG(20:015:00:0)","C38H74O5","610.553625478","M+ACN+2H","ISgroup_2_1003_80",307736.2,0.798
"HMDB07587",0,0,"5_1",363.31018,974.4,"Multiple",363.30756,7.21,"DG(20:5(5Z8Z11Z14Z17Z)24:1(15Z)0:0)","C47H80O5","724.60057567","M+2H","ISgroup_5_1328_32",10622799.3,0.31
"HMDB07614",0,0,"5_1",363.31018,974.4,"Multiple",363.30756,7.21,"DG(22:022:6(4Z7Z10Z13Z16Z19Z)0:0)","C47H80O5","724.60057567","M+2H","ISgroup_5_1328_32",10622799.3,0.31
"HMDB07641",0,0,"5_1",363.31018,974.4,"Multiple",363.30756,7.21,"DG(22:1(13Z)22:5(4Z7Z10Z13Z16Z)0:0)","C47H80O5","724.60057567","M+2H","ISgroup_5_1328_32",10622799.3,0.31
"HMDB07642",0,0,"5_1",363.31018,974.4,"Multiple",363.30756,7.21,"DG(22:1(13Z)22:5(7Z10Z13Z16Z19Z)0:0)","C47H80O5","724.60057567","M+2H","ISgroup_5_1328_32",10622799.3,0.31
"HMDB07648",0,0,"2_1",326.79835,762.3,"Multiple",326.79736,3.03,"DG(22:2(13Z16Z)15:00:0)","C40H74O5","634.553625478","M+H+NH4","ISgroup_2_1003_80",307736.2,0.798
"HMDB07669",0,0,"5_1",363.31018,974.4,"Multiple",363.30756,7.21,"DG(22:2(13Z16Z)22:4(7Z10Z13Z16Z)0:0)","C47H80O5","724.60057567","M+2H","ISgroup_5_1328_32",10622799.3,0.31
"HMDB07697",0,0,"5_1",363.31018,974.4,"Multiple",363.30756,7.21,"DG(22:4(7Z10Z13Z16Z)22:2(13Z16Z)0:0)","C47H80O5","724.60057567","M+2H","ISgroup_5_1328_32",10622799.3,0.31
"HMDB07725",0,0,"5_1",363.31018,974.4,"Multiple",363.30756,7.21,"DG(22:5(4Z7Z10Z13Z16Z)22:1(13Z)0:0)","C47H80O5","724.60057567","M+2H","ISgroup_5_1328_32",10622799.3,0.31
"HMDB07732",0,0,"5_1",377.326,1018.1,"Multiple",377.32321,7.39,"DG(22:5(4Z7Z10Z13Z16Z)24:1(15Z)0:0)","C49H84O5","752.631875798","M+2H","ISgroup_5_1385_33",25130779.9,0.326
"HMDB07754",0,0,"5_1",363.31018,974.4,"Multiple",363.30756,7.21,"DG(22:5(7Z10Z13Z16Z19Z)22:1(13Z)0:0)","C47H80O5","724.60057567","M+2H","ISgroup_5_1328_32",10622799.3,0.31
"HMDB07761",0,0,"5_1",377.326,1018.1,"Multiple",377.32321,7.39,"DG(22:5(7Z10Z13Z16Z19Z)24:1(15Z)0:0)","C49H84O5","752.631875798","M+2H","ISgroup_5_1385_33",25130779.9,0.326
"HMDB07782",0,0,"5_1",363.31018,974.4,"Multiple",363.30756,7.21,"DG(22:6(4Z7Z10Z13Z16Z19Z)22:00:0)","C47H80O5","724.60057567","M+2H","ISgroup_5_1328_32",10622799.3,0.31
"HMDB07789",0,0,"5_1",377.326,1018.1,"Multiple",377.32321,7.39,"DG(22:6(4Z7Z10Z13Z16Z19Z)24:00:0)","C49H84O5","752.631875798","M+2H","ISgroup_5_1385_33",25130779.9,0.326
"HMDB07817",0,0,"5_1",377.326,1018.1,"Multiple",377.32321,7.39,"DG(24:022:6(4Z7Z10Z13Z16Z19Z)0:0)","C49H84O5","752.631875798","M+2H","ISgroup_5_1385_33",25130779.9,0.326
"HMDB07839",0,0,"5_1",363.31018,974.4,"Multiple",363.30756,7.21,"DG(24:1(15Z)20:5(5Z8Z11Z14Z17Z)0:0)","C47H80O5","724.60057567","M+2H","ISgroup_5_1328_32",10622799.3,0.31
"HMDB07844",0,0,"5_1",377.326,1018.1,"Multiple",377.32321,7.39,"DG(24:1(15Z)22:5(4Z7Z10Z13Z16Z)0:0)","C49H84O5","752.631875798","M+2H","ISgroup_5_1385_33",25130779.9,0.326
"HMDB07845",0,0,"5_1",377.326,1018.1,"Multiple",377.32321,7.39,"DG(24:1(15Z)22:5(7Z10Z13Z16Z19Z)0:0)","C49H84O5","752.631875798","M+2H","ISgroup_5_1385_33",25130779.9,0.326
"HMDB07870",2,1e+05,"5_1",704.52547,903.3,"Multiple",704.52248,4.24,"PC(14:016:1(9Z))","C38H74NO8P","703.515204861","M+H","ISgroup_5_1206_53",2337516.5,0.525
"HMDB07902",2,1e+05,"5_1",704.52547,903.3,"Multiple",704.52248,4.24,"PC(14:1(9Z)16:0)","C38H74NO8P","703.515204861","M+H","ISgroup_5_1206_53",2337516.5,0.525
"HMDB07938",2,1e+05,"5_1",746.56201,993.1,"Multiple",746.56943,9.94,"PC(15:018:1(11Z))","C41H80NO8P","745.562155053","M+H","ISgroup_5_1354_57",6158282.1,0.562
"HMDB07939",2,1e+05,"5_1",746.56201,993.1,"Multiple",746.56943,9.94,"PC(15:018:1(9Z))","C41H80NO8P","745.562155053","M+H","ISgroup_5_1354_57",6158282.1,0.562
"HMDB07941",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PC(15:018:3(6Z9Z12Z))","C41H76NO8P","741.530854925","M+ACN+2H","ISgroup_10_1528_29",24986046.9,0.288
"HMDB07942",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PC(15:018:3(9Z12Z15Z))","C41H76NO8P","741.530854925","M+ACN+2H","ISgroup_10_1528_29",24986046.9,0.288
"HMDB07951",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PC(15:020:5(5Z8Z11Z14Z17Z))","C43H76NO8P","765.530854925","M+H+NH4","ISgroup_10_1528_29",24986046.9,0.288
"HMDB07954",0,0,"5_1",421.32203,1090.4,"Multiple",421.3251,7.29,"PC(15:022:2(13Z16Z))","C45H86NO8P","799.609105245","M+ACN+2H","ISgroup_5_1497_33",59762569.5,0.322
"HMDB07966",2,1e+05,"5_1",704.52547,903.3,"Multiple",704.52248,4.24,"PC(16:014:1(9Z))","C38H74NO8P","703.515204861","M+H","ISgroup_5_1206_53",2337516.5,0.525
"HMDB07998",2,1e+05,"5_1",704.52547,903.3,"Multiple",704.52248,4.24,"PC(16:1(9Z)14:0)","C38H74NO8P","703.515204861","M+H","ISgroup_5_1206_53",2337516.5,0.525
"HMDB08066",2,1e+05,"5_1",746.56201,993.1,"Multiple",746.56943,9.94,"PC(18:1(11Z)15:0)","C41H80NO8P","745.562155053","M+H","ISgroup_5_1354_57",6158282.1,0.562
"HMDB08099",2,1e+05,"5_1",746.56201,993.1,"Multiple",746.56943,9.94,"PC(18:1(9Z)15:0)","C41H80NO8P","745.562155053","M+H","ISgroup_5_1354_57",6158282.1,0.562
"HMDB08165",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PC(18:3(6Z9Z12Z)15:0)","C41H76NO8P","741.530854925","M+ACN+2H","ISgroup_10_1528_29",24986046.9,0.288
"HMDB07954",0,0,"5_1",421.32203,1090.4,"Multiple",421.3251,7.29,"PC(15:022:2(13Z16Z))","C45H86NO8P","799.609105245","M+ACN+2H","ISgroup_5_1497_33",59762569.5,0.322
"HMDB07951",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PC(15:020:5(5Z8Z11Z14Z17Z))","C43H76NO8P","765.530854925","M+H+NH4","ISgroup_10_1528_29",24986046.9,0.288
"HMDB07942",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PC(15:018:3(9Z12Z15Z))","C41H76NO8P","741.530854925","M+ACN+2H","ISgroup_10_1528_29",24986046.9,0.288
"HMDB07941",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PC(15:018:3(6Z9Z12Z))","C41H76NO8P","741.530854925","M+ACN+2H","ISgroup_10_1528_29",24986046.9,0.288
"HMDB07845",0,0,"5_1",377.326,1018.1,"Multiple",377.32321,7.39,"DG(24:1(15Z)22:5(7Z10Z13Z16Z19Z)0:0)","C49H84O5","752.631875798","M+2H","ISgroup_5_1385_33",25130779.9,0.326
"HMDB07844",0,0,"5_1",377.326,1018.1,"Multiple",377.32321,7.39,"DG(24:1(15Z)22:5(4Z7Z10Z13Z16Z)0:0)","C49H84O5","752.631875798","M+2H","ISgroup_5_1385_33",25130779.9,0.326
"HMDB07839",0,0,"5_1",363.31018,974.4,"Multiple",363.30756,7.21,"DG(24:1(15Z)20:5(5Z8Z11Z14Z17Z)0:0)","C47H80O5","724.60057567","M+2H","ISgroup_5_1328_32",10622799.3,0.31
"HMDB07817",0,0,"5_1",377.326,1018.1,"Multiple",377.32321,7.39,"DG(24:022:6(4Z7Z10Z13Z16Z19Z)0:0)","C49H84O5","752.631875798","M+2H","ISgroup_5_1385_33",25130779.9,0.326
"HMDB07789",0,0,"5_1",377.326,1018.1,"Multiple",377.32321,7.39,"DG(22:6(4Z7Z10Z13Z16Z19Z)24:00:0)","C49H84O5","752.631875798","M+2H","ISgroup_5_1385_33",25130779.9,0.326
"HMDB07782",0,0,"5_1",363.31018,974.4,"Multiple",363.30756,7.21,"DG(22:6(4Z7Z10Z13Z16Z19Z)22:00:0)","C47H80O5","724.60057567","M+2H","ISgroup_5_1328_32",10622799.3,0.31
"HMDB07761",0,0,"5_1",377.326,1018.1,"Multiple",377.32321,7.39,"DG(22:5(7Z10Z13Z16Z19Z)24:1(15Z)0:0)","C49H84O5","752.631875798","M+2H","ISgroup_5_1385_33",25130779.9,0.326
"HMDB07754",0,0,"5_1",363.31018,974.4,"Multiple",363.30756,7.21,"DG(22:5(7Z10Z13Z16Z19Z)22:1(13Z)0:0)","C47H80O5","724.60057567","M+2H","ISgroup_5_1328_32",10622799.3,0.31
"HMDB07732",0,0,"5_1",377.326,1018.1,"Multiple",377.32321,7.39,"DG(22:5(4Z7Z10Z13Z16Z)24:1(15Z)0:0)","C49H84O5","752.631875798","M+2H","ISgroup_5_1385_33",25130779.9,0.326
"HMDB07725",0,0,"5_1",363.31018,974.4,"Multiple",363.30756,7.21,"DG(22:5(4Z7Z10Z13Z16Z)22:1(13Z)0:0)","C47H80O5","724.60057567","M+2H","ISgroup_5_1328_32",10622799.3,0.31
"HMDB07697",0,0,"5_1",363.31018,974.4,"Multiple",363.30756,7.21,"DG(22:4(7Z10Z13Z16Z)22:2(13Z16Z)0:0)","C47H80O5","724.60057567","M+2H","ISgroup_5_1328_32",10622799.3,0.31
"HMDB07669",0,0,"5_1",363.31018,974.4,"Multiple",363.30756,7.21,"DG(22:2(13Z16Z)22:4(7Z10Z13Z16Z)0:0)","C47H80O5","724.60057567","M+2H","ISgroup_5_1328_32",10622799.3,0.31
"HMDB07648",0,0,"2_1",326.79835,762.3,"Multiple",326.79736,3.03,"DG(22:2(13Z16Z)15:00:0)","C40H74O5","634.553625478","M+H+NH4","ISgroup_2_1003_80",307736.2,0.798
"HMDB07642",0,0,"5_1",363.31018,974.4,"Multiple",363.30756,7.21,"DG(22:1(13Z)22:5(7Z10Z13Z16Z19Z)0:0)","C47H80O5","724.60057567","M+2H","ISgroup_5_1328_32",10622799.3,0.31
"HMDB07641",0,0,"5_1",363.31018,974.4,"Multiple",363.30756,7.21,"DG(22:1(13Z)22:5(4Z7Z10Z13Z16Z)0:0)","C47H80O5","724.60057567","M+2H","ISgroup_5_1328_32",10622799.3,0.31
"HMDB07614",0,0,"5_1",363.31018,974.4,"Multiple",363.30756,7.21,"DG(22:022:6(4Z7Z10Z13Z16Z19Z)0:0)","C47H80O5","724.60057567","M+2H","ISgroup_5_1328_32",10622799.3,0.31
"HMDB07587",0,0,"5_1",363.31018,974.4,"Multiple",363.30756,7.21,"DG(20:5(5Z8Z11Z14Z17Z)24:1(15Z)0:0)","C47H80O5","724.60057567","M+2H","ISgroup_5_1328_32",10622799.3,0.31
"HMDB07358",0,0,"2_1",326.79835,762.3,"Multiple",326.79736,3.03,"DG(20:015:00:0)","C38H74O5","610.553625478","M+ACN+2H","ISgroup_2_1003_80",307736.2,0.798
"HMDB07088",0,0,"2_1",326.79835,762.3,"Multiple",326.79736,3.03,"DG(15:022:2(13Z16Z)0:0)","C40H74O5","634.553625478","M+H+NH4","ISgroup_2_1003_80",307736.2,0.798
"HMDB07078",0,0,"2_1",326.79835,762.3,"Multiple",326.79736,3.03,"DG(15:020:00:0)","C38H74O5","610.553625478","M+ACN+2H","ISgroup_2_1003_80",307736.2,0.798
"HMDB06710",0,0,"2_1",228.16332,541.7,"Multiple",228.16143,8.28,"Ubiquinone-4","C29H42O4","454.308309832","M+2H","ISgroup_2_586_17",192033031.5,0.163
"HMDB06562",0,0,"5_1",178.12612,508.6,"Multiple",178.12759,8.25,"8-iso-1314-dihydro-15-keto-PGF2a","C20H34O5","354.240624198","M+2H","ISgroup_5_514_13",29081289.6,0.126
"HMDB06496",0,0,"6_1",246.19747,237.3,"Multiple",246.1958,6.78,"Clupanodonyl carnitine","C29H47NO4","473.350508997","M+H+NH4","ISgroup_6_7_20",619525944.2,0.197
"HMDB06480",0,0,"10_1",160.05025,295.6,"Multiple",160.04868,9.81,"N-Acetyl-D-galactosamine 1-phosphate","C8H16NO9P","301.056267627","M+H+NH4","ISgroup_10_125_6",91668458.7,0.05
"HMDB06465",0,0,"10_1",285.14564,739.3,"Multiple",285.14819,8.94,"Leukotriene F4","C28H44N2O8S","568.281837084","M+2H","ISgroup_10_958_15",326959665.7,0.146
"HMDB06321",0,0,"6_1",246.19747,237.3,"Multiple",246.1958,6.78,"Docosa-47101316-pentaenoyl carnitine","C29H47NO4","473.350508997","M+H+NH4","ISgroup_6_7_20",619525944.2,0.197
"HMDB06211",0,0,"5_1",164.03964,717.7,"Multiple",164.03865,6.04,"2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine","C6H12N3O8P","285.036200887","M+ACN+2H","ISgroup_5_896_4",7458392.2,0.04
"HMDB06210",0,0,"2_1",216.19582,639.7,"Multiple",216.1958,0.09,"Heptadecanoyl carnitine","C24H47NO4","413.350508997","M+H+NH4","ISgroup_2_776_20",3469530.6,0.196
"HMDB05801",0,0,"5_1",152.54526,1046.3,"Multiple",152.54442,5.51,"Kaempferol","C15H10O6","286.047738052","M+H+NH4","ISgroup_5_1417_55",6847597,0.545
"HMDB05800",0,0,"5_1",152.54526,1046.3,"Multiple",152.54442,5.51,"Luteolin","C15H10O6","286.047738052","M+H+NH4","ISgroup_5_1417_55",6847597,0.545
"HMDB05453",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(18:1(9Z)18:1(9Z)18:1(9Z))iso","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB05444",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(16:1(9Z)18:2(9Z12Z)20:0)iso6","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB05439",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(16:1(9Z)18:1(9Z)20:1(11Z))iso6","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB05421",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(16:1(9Z)18:018:0)iso3","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB05405",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(18:018:1(9Z)18:2(9Z12Z))iso6","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB05389",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(16:018:2(9Z12Z)20:1(11Z))iso6","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB05375",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(16:016:1(9Z)20:0)iso6","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB05367",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(16:018:018:1(9Z))iso6","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB05361",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(16:016:020:1(11Z))iso3","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB05102",0,0,"5_1",178.12612,508.6,"Multiple",178.12759,8.25,"Prostaglandin D1","C20H34O5","354.240624198","M+2H","ISgroup_5_514_13",29081289.6,0.126
"HMDB05083",0,0,"5_1",178.12612,508.6,"Multiple",178.12759,8.25,"8-Isoprostaglandin F2a","C20H34O5","354.240624198","M+2H","ISgroup_5_514_13",29081289.6,0.126
"HMDB05039",0,0,"4_1",238.11047,597.1,"Unique",238.10974,3.07,"Sildenafil","C22H30N6O4S","474.204924168","M+2H","ISgroup_4_250_12",10134861.4,0.11
"HMDB04876",0,0,"10_1",494.89043,770.8,"Multiple",494.88657,7.8,"Lactosylceramide (d18:125:0)","C55H105NO13","987.758592451","M+2H","ISgroup_10_1010_90",3706715.2,0.89
"HMDB04841",0,0,"10_1",494.89043,770.8,"Multiple",494.88657,7.8,"Galabiosylceramide (d18:125:0)","C55H105NO13","987.758592451","M+2H","ISgroup_10_1010_90",3706715.2,0.89
"HMDB04694",0,0,"5_1",178.12612,508.6,"Multiple",178.12759,8.25,"111415-THETA","C20H34O5","354.240624198","M+2H","ISgroup_5_514_13",29081289.6,0.126
"HMDB04686",0,0,"5_1",178.12612,508.6,"Multiple",178.12759,8.25,"8-Isoprostaglandin E1","C20H34O5","354.240624198","M+2H","ISgroup_5_514_13",29081289.6,0.126
"HMDB04685",0,0,"5_1",178.12612,508.6,"Multiple",178.12759,8.25,"1314-Dihydro-15-keto PGF2a","C20H34O5","354.240624198","M+2H","ISgroup_5_514_13",29081289.6,0.126
"HMDB04684",0,0,"5_1",178.12612,508.6,"Multiple",178.12759,8.25,"111215-THETA","C20H34O5","354.240624198","M+2H","ISgroup_5_514_13",29081289.6,0.126
"HMDB04198",0,0,"5_1",226.18037,751.9,"Multiple",226.18217,7.96,"Reduced Vitamin K (phylloquinone)","C31H46O2","450.349780716","M+2H","ISgroup_5_941_19",59875437,0.18
"HMDB04087",0,0,"10_1",133.08894,707.1,"Multiple",133.0886,2.55,"1-Benzyl-1234-tetrahydroisoquinoline","C16H17N","223.136099549","M+ACN+2H","ISgroup_10_907_9",52691997.1,0.089
"HMDB03555",0,0,"5_1",226.18037,751.9,"Multiple",226.18217,7.96,"Vitamin K1","C31H46O2","450.349780716","M+2H","ISgroup_5_941_19",59875437,0.18
"HMDB03553",0,0,"2_1",334.11633,775.4,"Multiple",334.11821,5.63,"Stachyose","C24H42O21","666.221858406","M+2H","ISgroup_2_1024_12",9748008,0.116
"HMDB02817",0,0,"10_1",160.05025,295.6,"Multiple",160.04868,9.81,"N-Acetylglucosamine 6-phosphate","C8H16NO9P","301.056267627","M+H+NH4","ISgroup_10_125_6",91668458.7,0.05
"HMDB02472",0,0,"1_1",330.19084,594.8,"Unique",330.19111,0.82,"(3a5b7a12a)-24-(carboxymethyl)amino-112-dihydroxy-24-oxocholan-3-yl-b-D-Glucopyranosiduronic acid","C32H51NO12","641.341126101","M+H+NH4","ISgroup_1_712_20",9707233.7,0.191
"HMDB02115",0,0,"5_1",178.12612,508.6,"Multiple",178.12759,8.25,"8-isoprostaglandin PGF2b","C20H34O5","354.240624198","M+2H","ISgroup_5_514_13",29081289.6,0.126
"HMDB02088",0,0,"10_1",184.16965,228.9,"Multiple",184.16959,0.33,"N-Oleoylethanolamine","C20H39NO2","325.298079497","M+ACN+2H","ISgroup_10_1_17",5258584.2,0.17
"HMDB01977",0,0,"5_1",178.12612,508.6,"Multiple",178.12759,8.25,"Trioxilin A3","C20H34O5","354.240624198","M+2H","ISgroup_5_514_13",29081289.6,0.126
"HMDB01965",0,0,"5_1",178.12612,508.6,"Multiple",178.12759,8.25,"Troxilin B3","C20H34O5","354.240624198","M+2H","ISgroup_5_514_13",29081289.6,0.126
"HMDB01893",0,0,"2_1",216.19582,639.7,"Multiple",216.19782,9.25,"Alpha-Tocopherol","C29H50O2","430.381080844","M+2H","ISgroup_2_776_20",3469530.6,0.196
"HMDB01483",0,0,"5_1",178.12612,508.6,"Multiple",178.12759,8.25,"Prostaglandin F2b","C20H34O5","354.240624198","M+2H","ISgroup_5_514_13",29081289.6,0.126
"HMDB01442",0,0,"5_1",178.12612,508.6,"Multiple",178.12759,8.25,"Prostaglandin E1","C20H34O5","354.240624198","M+2H","ISgroup_5_514_13",29081289.6,0.126
"HMDB01421",0,0,"11_1",241.70519,540.1,"Multiple",241.70327,7.94,"44-Dimethyl-14a-formyl-5a-cholesta-824-dien-3b-ol","C30H48O2","440.36543078","M+ACN+2H","ISgroup_11_1_71",213924.9,0.705
"HMDB01367",0,0,"10_1",160.05025,295.6,"Multiple",160.04868,9.81,"N-Acetyl-glucosamine 1-phosphate","C8H16NO9P","301.056267627","M+H+NH4","ISgroup_10_125_6",91668458.7,0.05
"HMDB01296",0,0,"2_1",334.11633,775.4,"Multiple",334.11821,5.63,"Maltotetraose","C24H42O21","666.221858406","M+2H","ISgroup_2_1024_12",9748008,0.116
"HMDB01139",0,0,"5_1",178.12612,508.6,"Multiple",178.12759,8.25,"Prostaglandin F2a","C20H34O5","354.240624198","M+2H","ISgroup_5_514_13",29081289.6,0.126
"HMDB01121",0,0,"10_1",160.05025,295.6,"Multiple",160.04868,9.81,"N-Acetyl-D-mannosamine 6-phosphate","C8H16NO9P","301.056267627","M+H+NH4","ISgroup_10_125_6",91668458.7,0.05
"HMDB01062",0,0,"10_1",160.05025,295.6,"Multiple",160.04868,9.81,"N-Acetyl-D-Glucosamine 6-Phosphate","C8H16NO9P","301.056267627","M+H+NH4","ISgroup_10_125_6",91668458.7,0.05
"HMDB00757",0,0,"2_1",334.11633,775.4,"Multiple",334.11821,5.63,"Glycogen","C24H42O21","666.221858406","M+2H","ISgroup_2_1024_12",9748008,0.116
"HMDB00698",0,0,"5_1",226.18037,751.9,"Multiple",226.18015,0.97,"Lithocholic acid glycine conjugate","C26H43NO4","433.319208869","M+H+NH4","ISgroup_5_941_19",59875437,0.18
"HMDB00121",0,0,"11_1",230.08948,738,"Multiple",230.09039,3.95,"Folic acid","C19H19N7O6","441.139681375","M+H+NH4","ISgroup_11_392_9",36772521.3,0.089
"HMDB08198",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PC(18:3(9Z12Z15Z)15:0)","C41H76NO8P","741.530854925","M+ACN+2H","ISgroup_10_1528_29",24986046.9,0.288
"HMDB08494",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PC(20:5(5Z8Z11Z14Z17Z)15:0)","C43H76NO8P","765.530854925","M+H+NH4","ISgroup_10_1528_29",24986046.9,0.288
"HMDB08555",0,0,"2_1",424.36347,954.8,"Multiple",424.36677,7.78,"PC(22:0P-18:0)","C48H96NO7P","829.692440943","M+H+NH4","ISgroup_2_1371_37",81153719.3,0.363
"HMDB08592",0,0,"5_1",421.32203,1090.4,"Multiple",421.3251,7.29,"PC(22:2(13Z16Z)15:0)","C45H86NO8P","799.609105245","M+ACN+2H","ISgroup_5_1497_33",59762569.5,0.322
"HMDB08784",0,0,"2_1",424.36347,954.8,"Multiple",424.36677,7.78,"PC(24:0P-16:0)","C48H96NO7P","829.692440943","M+H+NH4","ISgroup_2_1371_37",81153719.3,0.363
"HMDB08842",2,1e+05,"5_1",746.56201,993.1,"Multiple",746.56943,9.94,"PE(14:022:1(13Z))","C41H80NO8P","745.562155053","M+H","ISgroup_5_1354_57",6158282.1,0.562
"HMDB08874",2,1e+05,"5_1",746.56201,993.1,"Multiple",746.56943,9.94,"PE(14:1(9Z)22:0)","C41H80NO8P","745.562155053","M+H","ISgroup_5_1354_57",6158282.1,0.562
"HMDB08876",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(14:1(9Z)22:2(13Z16Z))","C41H76NO8P","741.530854925","M+ACN+2H","ISgroup_10_1528_29",24986046.9,0.288
"HMDB08880",2,1e+05,"5_1",734.46899,667.9,"Multiple",734.47553,8.9,"PE(14:1(9Z)22:6(4Z7Z10Z13Z16Z19Z))","C41H68NO8P","733.468254669","M+H","ISgroup_5_809_47",60968370.5,0.469
"HMDB08893",2,1e+05,"5_1",704.52547,903.3,"Multiple",704.52248,4.24,"PE(15:018:1(11Z))","C38H74NO8P","703.515204861","M+H","ISgroup_5_1206_53",2337516.5,0.525
"HMDB08894",2,1e+05,"5_1",704.52547,903.3,"Multiple",704.52248,4.24,"PE(15:018:1(9Z))","C38H74NO8P","703.515204861","M+H","ISgroup_5_1206_53",2337516.5,0.525
"HMDB08933",2,1e+05,"5_1",746.56201,993.1,"Multiple",746.56943,9.94,"PE(16:020:1(11Z))","C41H80NO8P","745.562155053","M+H","ISgroup_5_1354_57",6158282.1,0.562
"HMDB08935",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(16:020:3(5Z8Z11Z))","C41H76NO8P","741.530854925","M+ACN+2H","ISgroup_10_1528_29",24986046.9,0.288
"HMDB08936",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(16:020:3(8Z11Z14Z))","C41H76NO8P","741.530854925","M+ACN+2H","ISgroup_10_1528_29",24986046.9,0.288
"HMDB08944",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(16:022:5(4Z7Z10Z13Z16Z))","C43H76NO8P","765.530854925","M+H+NH4","ISgroup_10_1528_29",24986046.9,0.288
"HMDB08945",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(16:022:5(7Z10Z13Z16Z19Z))","C43H76NO8P","765.530854925","M+H+NH4","ISgroup_10_1528_29",24986046.9,0.288
"HMDB08965",2,1e+05,"5_1",746.56201,993.1,"Multiple",746.56943,9.94,"PE(16:1(9Z)20:0)","C41H80NO8P","745.562155053","M+H","ISgroup_5_1354_57",6158282.1,0.562
"HMDB08967",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(16:1(9Z)20:2(11Z14Z))","C41H76NO8P","741.530854925","M+ACN+2H","ISgroup_10_1528_29",24986046.9,0.288
"HMDB08976",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(16:1(9Z)22:4(7Z10Z13Z16Z))","C43H76NO8P","765.530854925","M+H+NH4","ISgroup_10_1528_29",24986046.9,0.288
"HMDB08981",0,0,"5_1",421.32203,1090.4,"Multiple",421.3251,7.29,"PE(16:1(9Z)24:1(15Z))","C45H86NO8P","799.609105245","M+ACN+2H","ISgroup_5_1497_33",59762569.5,0.322
"HMDB08992",2,1e+05,"5_1",746.56201,993.1,"Multiple",746.56943,9.94,"PE(18:018:1(11Z))","C41H80NO8P","745.562155053","M+H","ISgroup_5_1354_57",6158282.1,0.562
"HMDB08993",2,1e+05,"5_1",746.56201,993.1,"Multiple",746.56943,9.94,"PE(18:018:1(9Z))","C41H80NO8P","745.562155053","M+H","ISgroup_5_1354_57",6158282.1,0.562
"HMDB08995",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(18:018:3(6Z9Z12Z))","C41H76NO8P","741.530854925","M+ACN+2H","ISgroup_10_1528_29",24986046.9,0.288
"HMDB08996",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(18:018:3(9Z12Z15Z))","C41H76NO8P","741.530854925","M+ACN+2H","ISgroup_10_1528_29",24986046.9,0.288
"HMDB09005",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(18:020:5(5Z8Z11Z14Z17Z))","C43H76NO8P","765.530854925","M+H+NH4","ISgroup_10_1528_29",24986046.9,0.288
"HMDB09008",0,0,"5_1",421.32203,1090.4,"Multiple",421.3251,7.29,"PE(18:022:2(13Z16Z))","C45H86NO8P","799.609105245","M+ACN+2H","ISgroup_5_1497_33",59762569.5,0.322
"HMDB09021",2,1e+05,"5_1",704.52547,903.3,"Multiple",704.52248,4.24,"PE(18:1(11Z)15:0)","C38H74NO8P","703.515204861","M+H","ISgroup_5_1206_53",2337516.5,0.525
"HMDB09024",2,1e+05,"5_1",746.56201,993.1,"Multiple",746.56943,9.94,"PE(18:1(11Z)18:0)","C41H80NO8P","745.562155053","M+H","ISgroup_5_1354_57",6158282.1,0.562
"HMDB09027",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(18:1(11Z)18:2(9Z12Z))","C41H76NO8P","741.530854925","M+ACN+2H","ISgroup_10_1528_29",24986046.9,0.288
"HMDB09036",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(18:1(11Z)20:4(5Z8Z11Z14Z))","C43H76NO8P","765.530854925","M+H+NH4","ISgroup_10_1528_29",24986046.9,0.288
"HMDB09037",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(18:1(11Z)20:4(8Z11Z14Z17Z))","C43H76NO8P","765.530854925","M+H+NH4","ISgroup_10_1528_29",24986046.9,0.288
"HMDB09040",0,0,"5_1",421.32203,1090.4,"Multiple",421.3251,7.29,"PE(18:1(11Z)22:1(13Z))","C45H86NO8P","799.609105245","M+ACN+2H","ISgroup_5_1497_33",59762569.5,0.322
"HMDB09041",0,0,"5_1",420.31926,1046.2,"Multiple",420.31728,4.71,"PE(18:1(11Z)22:2(13Z16Z))","C45H84NO8P","797.593455181","M+ACN+2H","ISgroup_5_1417_32",454599515.9,0.319
"HMDB09054",2,1e+05,"5_1",704.52547,903.3,"Multiple",704.52248,4.24,"PE(18:1(9Z)15:0)","C38H74NO8P","703.515204861","M+H","ISgroup_5_1206_53",2337516.5,0.525
"HMDB09057",2,1e+05,"5_1",746.56201,993.1,"Multiple",746.56943,9.94,"PE(18:1(9Z)18:0)","C41H80NO8P","745.562155053","M+H","ISgroup_5_1354_57",6158282.1,0.562
"HMDB09060",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(18:1(9Z)18:2(9Z12Z))","C41H76NO8P","741.530854925","M+ACN+2H","ISgroup_10_1528_29",24986046.9,0.288
"HMDB09069",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(18:1(9Z)20:4(5Z8Z11Z14Z))","C43H76NO8P","765.530854925","M+H+NH4","ISgroup_10_1528_29",24986046.9,0.288
"HMDB09070",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(18:1(9Z)20:4(8Z11Z14Z17Z))","C43H76NO8P","765.530854925","M+H+NH4","ISgroup_10_1528_29",24986046.9,0.288
"HMDB09073",0,0,"5_1",421.32203,1090.4,"Multiple",421.3251,7.29,"PE(18:1(9Z)22:1(13Z))","C45H86NO8P","799.609105245","M+ACN+2H","ISgroup_5_1497_33",59762569.5,0.322
"HMDB09074",0,0,"5_1",420.31926,1046.2,"Multiple",420.31728,4.71,"PE(18:1(9Z)22:2(13Z16Z))","C45H84NO8P","797.593455181","M+ACN+2H","ISgroup_5_1417_32",454599515.9,0.319
"HMDB09091",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(18:2(9Z12Z)18:1(11Z))","C41H76NO8P","741.530854925","M+ACN+2H","ISgroup_10_1528_29",24986046.9,0.288
"HMDB09092",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(18:2(9Z12Z)18:1(9Z))","C41H76NO8P","741.530854925","M+ACN+2H","ISgroup_10_1528_29",24986046.9,0.288
"HMDB09100",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(18:2(9Z12Z)20:3(5Z8Z11Z))","C43H76NO8P","765.530854925","M+H+NH4","ISgroup_10_1528_29",24986046.9,0.288
"HMDB09101",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(18:2(9Z12Z)20:3(8Z11Z14Z))","C43H76NO8P","765.530854925","M+H+NH4","ISgroup_10_1528_29",24986046.9,0.288
"HMDB09105",0,0,"5_1",421.32203,1090.4,"Multiple",421.3251,7.29,"PE(18:2(9Z12Z)22:0)","C45H86NO8P","799.609105245","M+ACN+2H","ISgroup_5_1497_33",59762569.5,0.322
"HMDB09106",0,0,"5_1",420.31926,1046.2,"Multiple",420.31728,4.71,"PE(18:2(9Z12Z)22:1(13Z))","C45H84NO8P","797.593455181","M+ACN+2H","ISgroup_5_1417_32",454599515.9,0.319
"HMDB09123",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(18:3(6Z9Z12Z)18:0)","C41H76NO8P","741.530854925","M+ACN+2H","ISgroup_10_1528_29",24986046.9,0.288
"HMDB09129",2,1e+05,"5_1",734.46899,667.9,"Multiple",734.47553,8.9,"PE(18:3(6Z9Z12Z)18:4(6Z9Z12Z15Z))","C41H68NO8P","733.468254669","M+H","ISgroup_5_809_47",60968370.5,0.469
"HMDB09132",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(18:3(6Z9Z12Z)20:2(11Z14Z))","C43H76NO8P","765.530854925","M+H+NH4","ISgroup_10_1528_29",24986046.9,0.288
"HMDB09138",0,0,"5_1",420.31926,1046.2,"Multiple",420.31728,4.71,"PE(18:3(6Z9Z12Z)22:0)","C45H84NO8P","797.593455181","M+ACN+2H","ISgroup_5_1417_32",454599515.9,0.319
"HMDB09146",0,0,"5_1",421.32203,1090.4,"Multiple",421.3251,7.29,"PE(18:3(6Z9Z12Z)24:1(15Z))","C47H86NO8P","823.609105245","M+H+NH4","ISgroup_5_1497_33",59762569.5,0.322
"HMDB09156",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(18:3(9Z12Z15Z)18:0)","C41H76NO8P","741.530854925","M+ACN+2H","ISgroup_10_1528_29",24986046.9,0.288
"HMDB09162",2,1e+05,"5_1",734.46899,667.9,"Multiple",734.47553,8.9,"PE(18:3(9Z12Z15Z)18:4(6Z9Z12Z15Z))","C41H68NO8P","733.468254669","M+H","ISgroup_5_809_47",60968370.5,0.469
"HMDB09165",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(18:3(9Z12Z15Z)20:2(11Z14Z))","C43H76NO8P","765.530854925","M+H+NH4","ISgroup_10_1528_29",24986046.9,0.288
"HMDB09171",0,0,"5_1",420.31926,1046.2,"Multiple",420.31728,4.71,"PE(18:3(9Z12Z15Z)22:0)","C45H84NO8P","797.593455181","M+ACN+2H","ISgroup_5_1417_32",454599515.9,0.319
"HMDB09179",0,0,"5_1",421.32203,1090.4,"Multiple",421.3251,7.29,"PE(18:3(9Z12Z15Z)24:1(15Z))","C47H86NO8P","823.609105245","M+H+NH4","ISgroup_5_1497_33",59762569.5,0.322
"HMDB09193",2,1e+05,"5_1",734.46899,667.9,"Multiple",734.47553,8.9,"PE(18:4(6Z9Z12Z15Z)18:3(6Z9Z12Z))","C41H68NO8P","733.468254669","M+H","ISgroup_5_809_47",60968370.5,0.469
"HMDB09194",2,1e+05,"5_1",734.46899,667.9,"Multiple",734.47553,8.9,"PE(18:4(6Z9Z12Z15Z)18:3(9Z12Z15Z))","C41H68NO8P","733.468254669","M+H","ISgroup_5_809_47",60968370.5,0.469
"HMDB09197",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(18:4(6Z9Z12Z15Z)20:1(11Z))","C43H76NO8P","765.530854925","M+H+NH4","ISgroup_10_1528_29",24986046.9,0.288
"HMDB09203",0,0,"2_1",388.25397,369.4,"Multiple",388.25468,1.83,"PE(18:4(6Z9Z12Z15Z)20:5(5Z8Z11Z14Z17Z))","C43H68NO8P","757.468254669","M+H+NH4","ISgroup_2_245_26",4827376.6,0.254
"HMDB09211",0,0,"5_1",421.32203,1090.4,"Multiple",421.3251,7.29,"PE(18:4(6Z9Z12Z15Z)24:0)","C47H86NO8P","823.609105245","M+H+NH4","ISgroup_5_1497_33",59762569.5,0.322
"HMDB09212",0,0,"5_1",420.31926,1046.2,"Multiple",420.31728,4.71,"PE(18:4(6Z9Z12Z15Z)24:1(15Z))","C47H84NO8P","821.593455181","M+H+NH4","ISgroup_5_1417_32",454599515.9,0.319
"HMDB09221",2,1e+05,"5_1",746.56201,993.1,"Multiple",746.56943,9.94,"PE(20:016:1(9Z))","C41H80NO8P","745.562155053","M+H","ISgroup_5_1354_57",6158282.1,0.562
"HMDB09231",0,0,"5_1",421.32203,1090.4,"Multiple",421.3251,7.29,"PE(20:020:2(11Z14Z))","C45H86NO8P","799.609105245","M+ACN+2H","ISgroup_5_1497_33",59762569.5,0.322
"HMDB09232",0,0,"5_1",420.31926,1046.2,"Multiple",420.31728,4.71,"PE(20:020:3(5Z8Z11Z))","C45H84NO8P","797.593455181","M+ACN+2H","ISgroup_5_1417_32",454599515.9,0.319
"HMDB09233",0,0,"5_1",420.31926,1046.2,"Multiple",420.31728,4.71,"PE(20:020:3(8Z11Z14Z))","C45H84NO8P","797.593455181","M+ACN+2H","ISgroup_5_1417_32",454599515.9,0.319
"HMDB09240",0,0,"5_1",421.32203,1090.4,"Multiple",421.3251,7.29,"PE(20:022:4(7Z10Z13Z16Z))","C47H86NO8P","823.609105245","M+H+NH4","ISgroup_5_1497_33",59762569.5,0.322
"HMDB09241",0,0,"5_1",420.31926,1046.2,"Multiple",420.31728,4.71,"PE(20:022:5(4Z7Z10Z13Z16Z))","C47H84NO8P","821.593455181","M+H+NH4","ISgroup_5_1417_32",454599515.9,0.319
"HMDB09242",0,0,"5_1",420.31926,1046.2,"Multiple",420.31728,4.71,"PE(20:022:5(7Z10Z13Z16Z19Z))","C47H84NO8P","821.593455181","M+H+NH4","ISgroup_5_1417_32",454599515.9,0.319
"HMDB09253",2,1e+05,"5_1",746.56201,993.1,"Multiple",746.56943,9.94,"PE(20:1(11Z)16:0)","C41H80NO8P","745.562155053","M+H","ISgroup_5_1354_57",6158282.1,0.562
"HMDB09261",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(20:1(11Z)18:4(6Z9Z12Z15Z))","C43H76NO8P","765.530854925","M+H+NH4","ISgroup_10_1528_29",24986046.9,0.288
"HMDB09263",0,0,"5_1",421.32203,1090.4,"Multiple",421.3251,7.29,"PE(20:1(11Z)20:1(11Z))","C45H86NO8P","799.609105245","M+ACN+2H","ISgroup_5_1497_33",59762569.5,0.322
"HMDB09264",0,0,"5_1",420.31926,1046.2,"Multiple",420.31728,4.71,"PE(20:1(11Z)20:2(11Z14Z))","C45H84NO8P","797.593455181","M+ACN+2H","ISgroup_5_1417_32",454599515.9,0.319
"HMDB09273",0,0,"5_1",420.31926,1046.2,"Multiple",420.31728,4.71,"PE(20:1(11Z)22:4(7Z10Z13Z16Z))","C47H84NO8P","821.593455181","M+H+NH4","ISgroup_5_1417_32",454599515.9,0.319
"HMDB09287",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(20:2(11Z14Z)16:1(9Z))","C41H76NO8P","741.530854925","M+ACN+2H","ISgroup_10_1528_29",24986046.9,0.288
"HMDB09292",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(20:2(11Z14Z)18:3(6Z9Z12Z))","C43H76NO8P","765.530854925","M+H+NH4","ISgroup_10_1528_29",24986046.9,0.288
"HMDB09293",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(20:2(11Z14Z)18:3(9Z12Z15Z))","C43H76NO8P","765.530854925","M+H+NH4","ISgroup_10_1528_29",24986046.9,0.288
"HMDB09295",0,0,"5_1",421.32203,1090.4,"Multiple",421.3251,7.29,"PE(20:2(11Z14Z)20:0)","C45H86NO8P","799.609105245","M+ACN+2H","ISgroup_5_1497_33",59762569.5,0.322
"HMDB09296",0,0,"5_1",420.31926,1046.2,"Multiple",420.31728,4.71,"PE(20:2(11Z14Z)20:1(11Z))","C45H84NO8P","797.593455181","M+ACN+2H","ISgroup_5_1417_32",454599515.9,0.319
"HMDB09305",0,0,"5_1",421.32203,1090.4,"Multiple",421.3251,7.29,"PE(20:2(11Z14Z)22:2(13Z16Z))","C47H86NO8P","823.609105245","M+H+NH4","ISgroup_5_1497_33",59762569.5,0.322
"HMDB09319",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(20:3(5Z8Z11Z)16:0)","C41H76NO8P","741.530854925","M+ACN+2H","ISgroup_10_1528_29",24986046.9,0.288
"HMDB09324",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(20:3(5Z8Z11Z)18:2(9Z12Z))","C43H76NO8P","765.530854925","M+H+NH4","ISgroup_10_1528_29",24986046.9,0.288
"HMDB09328",0,0,"5_1",420.31926,1046.2,"Multiple",420.31728,4.71,"PE(20:3(5Z8Z11Z)20:0)","C45H84NO8P","797.593455181","M+ACN+2H","ISgroup_5_1417_32",454599515.9,0.319
"HMDB09337",0,0,"5_1",421.32203,1090.4,"Multiple",421.3251,7.29,"PE(20:3(5Z8Z11Z)22:1(13Z))","C47H86NO8P","823.609105245","M+H+NH4","ISgroup_5_1497_33",59762569.5,0.322
"HMDB09338",0,0,"5_1",420.31926,1046.2,"Multiple",420.31728,4.71,"PE(20:3(5Z8Z11Z)22:2(13Z16Z))","C47H84NO8P","821.593455181","M+H+NH4","ISgroup_5_1417_32",454599515.9,0.319
"HMDB09352",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(20:3(8Z11Z14Z)16:0)","C41H76NO8P","741.530854925","M+ACN+2H","ISgroup_10_1528_29",24986046.9,0.288
"HMDB09357",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(20:3(8Z11Z14Z)18:2(9Z12Z))","C43H76NO8P","765.530854925","M+H+NH4","ISgroup_10_1528_29",24986046.9,0.288
"HMDB09361",0,0,"5_1",420.31926,1046.2,"Multiple",420.31728,4.71,"PE(20:3(8Z11Z14Z)20:0)","C45H84NO8P","797.593455181","M+ACN+2H","ISgroup_5_1417_32",454599515.9,0.319
"HMDB09370",0,0,"5_1",421.32203,1090.4,"Multiple",421.3251,7.29,"PE(20:3(8Z11Z14Z)22:1(13Z))","C47H86NO8P","823.609105245","M+H+NH4","ISgroup_5_1497_33",59762569.5,0.322
"HMDB09371",0,0,"5_1",420.31926,1046.2,"Multiple",420.31728,4.71,"PE(20:3(8Z11Z14Z)22:2(13Z16Z))","C47H84NO8P","821.593455181","M+H+NH4","ISgroup_5_1417_32",454599515.9,0.319
"HMDB09388",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(20:4(5Z8Z11Z14Z)18:1(11Z))","C43H76NO8P","765.530854925","M+H+NH4","ISgroup_10_1528_29",24986046.9,0.288
"HMDB09389",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(20:4(5Z8Z11Z14Z)18:1(9Z))","C43H76NO8P","765.530854925","M+H+NH4","ISgroup_10_1528_29",24986046.9,0.288
"HMDB09402",0,0,"5_1",421.32203,1090.4,"Multiple",421.3251,7.29,"PE(20:4(5Z8Z11Z14Z)22:0)","C47H86NO8P","823.609105245","M+H+NH4","ISgroup_5_1497_33",59762569.5,0.322
"HMDB09403",0,0,"5_1",420.31926,1046.2,"Multiple",420.31728,4.71,"PE(20:4(5Z8Z11Z14Z)22:1(13Z))","C47H84NO8P","821.593455181","M+H+NH4","ISgroup_5_1417_32",454599515.9,0.319
"HMDB09421",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(20:4(8Z11Z14Z17Z)18:1(11Z))","C43H76NO8P","765.530854925","M+H+NH4","ISgroup_10_1528_29",24986046.9,0.288
"HMDB09422",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(20:4(8Z11Z14Z17Z)18:1(9Z))","C43H76NO8P","765.530854925","M+H+NH4","ISgroup_10_1528_29",24986046.9,0.288
"HMDB09435",0,0,"5_1",421.32203,1090.4,"Multiple",421.3251,7.29,"PE(20:4(8Z11Z14Z17Z)22:0)","C47H86NO8P","823.609105245","M+H+NH4","ISgroup_5_1497_33",59762569.5,0.322
"HMDB09436",0,0,"5_1",420.31926,1046.2,"Multiple",420.31728,4.71,"PE(20:4(8Z11Z14Z17Z)22:1(13Z))","C47H84NO8P","821.593455181","M+H+NH4","ISgroup_5_1417_32",454599515.9,0.319
"HMDB09453",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(20:5(5Z8Z11Z14Z17Z)18:0)","C43H76NO8P","765.530854925","M+H+NH4","ISgroup_10_1528_29",24986046.9,0.288
"HMDB09459",0,0,"2_1",388.25397,369.4,"Multiple",388.25468,1.83,"PE(20:5(5Z8Z11Z14Z17Z)18:4(6Z9Z12Z15Z))","C43H68NO8P","757.468254669","M+H+NH4","ISgroup_2_245_26",4827376.6,0.254
"HMDB09468",0,0,"5_1",420.31926,1046.2,"Multiple",420.31728,4.71,"PE(20:5(5Z8Z11Z14Z17Z)22:0)","C47H84NO8P","821.593455181","M+H+NH4","ISgroup_5_1417_32",454599515.9,0.319
"HMDB09482",2,1e+05,"5_1",746.56201,993.1,"Multiple",746.56943,9.94,"PE(22:014:1(9Z))","C41H80NO8P","745.562155053","M+H","ISgroup_5_1354_57",6158282.1,0.562
"HMDB09489",0,0,"5_1",421.32203,1090.4,"Multiple",421.3251,7.29,"PE(22:018:2(9Z12Z))","C45H86NO8P","799.609105245","M+ACN+2H","ISgroup_5_1497_33",59762569.5,0.322
"HMDB09490",0,0,"5_1",420.31926,1046.2,"Multiple",420.31728,4.71,"PE(22:018:3(6Z9Z12Z))","C45H84NO8P","797.593455181","M+ACN+2H","ISgroup_5_1417_32",454599515.9,0.319
"HMDB09491",0,0,"5_1",420.31926,1046.2,"Multiple",420.31728,4.71,"PE(22:018:3(9Z12Z15Z))","C45H84NO8P","797.593455181","M+ACN+2H","ISgroup_5_1417_32",454599515.9,0.319
"HMDB09498",0,0,"5_1",421.32203,1090.4,"Multiple",421.3251,7.29,"PE(22:020:4(5Z8Z11Z14Z))","C47H86NO8P","823.609105245","M+H+NH4","ISgroup_5_1497_33",59762569.5,0.322
"HMDB09499",0,0,"5_1",421.32203,1090.4,"Multiple",421.3251,7.29,"PE(22:020:4(8Z11Z14Z17Z))","C47H86NO8P","823.609105245","M+H+NH4","ISgroup_5_1497_33",59762569.5,0.322
"HMDB09500",0,0,"5_1",420.31926,1046.2,"Multiple",420.31728,4.71,"PE(22:020:5(5Z8Z11Z14Z17Z))","C47H84NO8P","821.593455181","M+H+NH4","ISgroup_5_1417_32",454599515.9,0.319
"HMDB09514",2,1e+05,"5_1",746.56201,993.1,"Multiple",746.56943,9.94,"PE(22:1(13Z)14:0)","C41H80NO8P","745.562155053","M+H","ISgroup_5_1354_57",6158282.1,0.562
"HMDB09520",0,0,"5_1",421.32203,1090.4,"Multiple",421.3251,7.29,"PE(22:1(13Z)18:1(11Z))","C45H86NO8P","799.609105245","M+ACN+2H","ISgroup_5_1497_33",59762569.5,0.322
"HMDB09521",0,0,"5_1",421.32203,1090.4,"Multiple",421.3251,7.29,"PE(22:1(13Z)18:1(9Z))","C45H86NO8P","799.609105245","M+ACN+2H","ISgroup_5_1497_33",59762569.5,0.322
"HMDB09522",0,0,"5_1",420.31926,1046.2,"Multiple",420.31728,4.71,"PE(22:1(13Z)18:2(9Z12Z))","C45H84NO8P","797.593455181","M+ACN+2H","ISgroup_5_1417_32",454599515.9,0.319
"HMDB09529",0,0,"5_1",421.32203,1090.4,"Multiple",421.3251,7.29,"PE(22:1(13Z)20:3(5Z8Z11Z))","C47H86NO8P","823.609105245","M+H+NH4","ISgroup_5_1497_33",59762569.5,0.322
"HMDB09530",0,0,"5_1",421.32203,1090.4,"Multiple",421.3251,7.29,"PE(22:1(13Z)20:3(8Z11Z14Z))","C47H86NO8P","823.609105245","M+H+NH4","ISgroup_5_1497_33",59762569.5,0.322
"HMDB09531",0,0,"5_1",420.31926,1046.2,"Multiple",420.31728,4.71,"PE(22:1(13Z)20:4(5Z8Z11Z14Z))","C47H84NO8P","821.593455181","M+H+NH4","ISgroup_5_1417_32",454599515.9,0.319
"HMDB09532",0,0,"5_1",420.31926,1046.2,"Multiple",420.31728,4.71,"PE(22:1(13Z)20:4(8Z11Z14Z17Z))","C47H84NO8P","821.593455181","M+H+NH4","ISgroup_5_1417_32",454599515.9,0.319
"HMDB09548",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(22:2(13Z16Z)14:1(9Z))","C41H76NO8P","741.530854925","M+ACN+2H","ISgroup_10_1528_29",24986046.9,0.288
"HMDB09552",0,0,"5_1",421.32203,1090.4,"Multiple",421.3251,7.29,"PE(22:2(13Z16Z)18:0)","C45H86NO8P","799.609105245","M+ACN+2H","ISgroup_5_1497_33",59762569.5,0.322
"HMDB09553",0,0,"5_1",420.31926,1046.2,"Multiple",420.31728,4.71,"PE(22:2(13Z16Z)18:1(11Z))","C45H84NO8P","797.593455181","M+ACN+2H","ISgroup_5_1417_32",454599515.9,0.319
"HMDB09554",0,0,"5_1",420.31926,1046.2,"Multiple",420.31728,4.71,"PE(22:2(13Z16Z)18:1(9Z))","C45H84NO8P","797.593455181","M+ACN+2H","ISgroup_5_1417_32",454599515.9,0.319
"HMDB09561",0,0,"5_1",421.32203,1090.4,"Multiple",421.3251,7.29,"PE(22:2(13Z16Z)20:2(11Z14Z))","C47H86NO8P","823.609105245","M+H+NH4","ISgroup_5_1497_33",59762569.5,0.322
"HMDB09562",0,0,"5_1",420.31926,1046.2,"Multiple",420.31728,4.71,"PE(22:2(13Z16Z)20:3(5Z8Z11Z))","C47H84NO8P","821.593455181","M+H+NH4","ISgroup_5_1417_32",454599515.9,0.319
"HMDB09563",0,0,"5_1",420.31926,1046.2,"Multiple",420.31728,4.71,"PE(22:2(13Z16Z)20:3(8Z11Z14Z))","C47H84NO8P","821.593455181","M+H+NH4","ISgroup_5_1417_32",454599515.9,0.319
"HMDB09584",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(22:4(7Z10Z13Z16Z)16:1(9Z))","C43H76NO8P","765.530854925","M+H+NH4","ISgroup_10_1528_29",24986046.9,0.288
"HMDB09592",0,0,"5_1",421.32203,1090.4,"Multiple",421.3251,7.29,"PE(22:4(7Z10Z13Z16Z)20:0)","C47H86NO8P","823.609105245","M+H+NH4","ISgroup_5_1497_33",59762569.5,0.322
"HMDB09593",0,0,"5_1",420.31926,1046.2,"Multiple",420.31728,4.71,"PE(22:4(7Z10Z13Z16Z)20:1(11Z))","C47H84NO8P","821.593455181","M+H+NH4","ISgroup_5_1417_32",454599515.9,0.319
"HMDB09616",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(22:5(4Z7Z10Z13Z16Z)16:0)","C43H76NO8P","765.530854925","M+H+NH4","ISgroup_10_1528_29",24986046.9,0.288
"HMDB09625",0,0,"5_1",420.31926,1046.2,"Multiple",420.31728,4.71,"PE(22:5(4Z7Z10Z13Z16Z)20:0)","C47H84NO8P","821.593455181","M+H+NH4","ISgroup_5_1417_32",454599515.9,0.319
"HMDB09649",0,0,"10_1",392.28791,1043.4,"Multiple",392.28598,4.92,"PE(22:5(7Z10Z13Z16Z19Z)16:0)","C43H76NO8P","765.530854925","M+H+NH4","ISgroup_10_1528_29",24986046.9,0.288
"HMDB09658",0,0,"5_1",420.31926,1046.2,"Multiple",420.31728,4.71,"PE(22:5(7Z10Z13Z16Z19Z)20:0)","C47H84NO8P","821.593455181","M+H+NH4","ISgroup_5_1417_32",454599515.9,0.319
"HMDB09680",2,1e+05,"5_1",734.46899,667.9,"Multiple",734.47553,8.9,"PE(22:6(4Z7Z10Z13Z16Z19Z)14:1(9Z))","C41H68NO8P","733.468254669","M+H","ISgroup_5_809_47",60968370.5,0.469
"HMDB09723",0,0,"5_1",421.32203,1090.4,"Multiple",421.3251,7.29,"PE(24:018:4(6Z9Z12Z15Z))","C47H86NO8P","823.609105245","M+H+NH4","ISgroup_5_1497_33",59762569.5,0.322
"HMDB09749",0,0,"5_1",421.32203,1090.4,"Multiple",421.3251,7.29,"PE(24:1(15Z)16:1(9Z))","C45H86NO8P","799.609105245","M+ACN+2H","ISgroup_5_1497_33",59762569.5,0.322
"HMDB09754",0,0,"5_1",421.32203,1090.4,"Multiple",421.3251,7.29,"PE(24:1(15Z)18:3(6Z9Z12Z))","C47H86NO8P","823.609105245","M+H+NH4","ISgroup_5_1497_33",59762569.5,0.322
"HMDB09755",0,0,"5_1",421.32203,1090.4,"Multiple",421.3251,7.29,"PE(24:1(15Z)18:3(9Z12Z15Z))","C47H86NO8P","823.609105245","M+H+NH4","ISgroup_5_1497_33",59762569.5,0.322
"HMDB09756",0,0,"5_1",420.31926,1046.2,"Multiple",420.31728,4.71,"PE(24:1(15Z)18:4(6Z9Z12Z15Z))","C47H84NO8P","821.593455181","M+H+NH4","ISgroup_5_1417_32",454599515.9,0.319
"HMDB09923",0,0,"2_1",460.26945,686.1,"Multiple",460.26901,0.96,"PIP(16:018:0)","C43H84O16P2","918.523459664","M+2H","ISgroup_2_863_27",8637562.8,0.269
"HMDB09946",0,0,"2_1",460.26945,686.1,"Multiple",460.26901,0.96,"PIP(18:016:0)","C43H84O16P2","918.523459664","M+2H","ISgroup_2_863_27",8637562.8,0.269
"HMDB10170",0,0,"5_1",178.12612,508.6,"Multiple",178.12759,8.25,"111215-TriHETRE","C20H34O5","354.240624198","M+2H","ISgroup_5_514_13",29081289.6,0.126
"HMDB10199",0,0,"5_1",178.12612,508.6,"Multiple",178.12759,8.25,"11b-PGF2a","C20H34O5","354.240624198","M+2H","ISgroup_5_514_13",29081289.6,0.126
"HMDB10204",2,1e+05,"5_1",337.23515,858.6,"Multiple",337.23734,6.49,"1415-DiHETE","C20H32O4","336.230059512","M+H","ISgroup_5_1129_24",29401790.1,0.235
"HMDB10211",2,1e+05,"5_1",337.23515,858.6,"Multiple",337.23734,6.49,"1718-DiHETE","C20H32O4","336.230059512","M+H","ISgroup_5_1129_24",29401790.1,0.235
"HMDB10214",0,0,"10_1",182.12916,310.8,"Multiple",182.13013,5.33,"1920-DiHDPA","C22H34O4","362.245709576","M+2H","ISgroup_10_151_13",1647754714.9,0.129
"HMDB10216",2,1e+05,"5_1",337.23515,858.6,"Multiple",337.23734,6.49,"515-DiHETE","C20H32O4","336.230059512","M+H","ISgroup_5_1129_24",29401790.1,0.235
"HMDB10219",2,1e+05,"5_1",337.23515,858.6,"Multiple",337.23734,6.49,"815-DiHETE","C20H32O4","336.230059512","M+H","ISgroup_5_1129_24",29401790.1,0.235
"HMDB10264",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(20:3(5Z8Z11Z)20:3(5Z8Z11Z)18:2(9Z12Z)18:2(9Z12Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB10265",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(20:3(5Z8Z11Z)20:3(8Z11Z14Z)18:2(9Z12Z)18:2(9Z12Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB10267",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(20:3(8Z11Z14Z)20:3(5Z8Z11Z)18:2(9Z12Z)18:2(9Z12Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB10268",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(20:3(8Z11Z14Z)20:3(8Z11Z14Z)18:2(9Z12Z)18:2(9Z12Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB10271",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(20:4(5Z8Z11Z14Z)20:2(11Z14Z)18:2(9Z12Z)18:2(9Z12Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB10272",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(20:4(5Z8Z11Z14Z)20:3(5Z8Z11Z)18:2(9Z12Z)18:2(9Z12Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB10273",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(20:4(5Z8Z11Z14Z)20:3(8Z11Z14Z)18:2(9Z12Z)18:2(9Z12Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB10274",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(20:4(5Z8Z11Z14Z)20:4(5Z8Z11Z14Z)18:1(11Z)18:1(11Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB10275",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(20:4(5Z8Z11Z14Z)20:4(5Z8Z11Z14Z)18:1(9Z)18:1(9Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB10280",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(20:4(8Z11Z14Z17Z)20:2(11Z14Z)18:2(9Z12Z)18:2(9Z12Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB10281",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(20:4(8Z11Z14Z17Z)20:3(5Z8Z11Z)18:2(9Z12Z)18:2(9Z12Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB10282",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(20:4(8Z11Z14Z17Z)20:3(8Z11Z14Z)18:2(9Z12Z)18:2(9Z12Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB10284",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(20:4(8Z11Z14Z17Z)20:4(8Z11Z14Z17Z)18:1(11Z)18:1(11Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB10285",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(20:4(8Z11Z14Z17Z)20:4(8Z11Z14Z17Z)18:1(9Z)18:1(9Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB10287",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(22:5(4Z7Z10Z13Z16Z)18:2(9Z12Z)18:2(9Z12Z)18:1(11Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB10288",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(22:5(4Z7Z10Z13Z16Z)18:2(9Z12Z)18:2(9Z12Z)18:1(9Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB10289",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(22:5(7Z10Z13Z16Z19Z)18:2(9Z12Z)18:2(9Z12Z)18:1(11Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB10290",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(22:5(7Z10Z13Z16Z19Z)18:2(9Z12Z)18:2(9Z12Z)18:1(9Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB10292",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(22:6(4Z7Z10Z13Z16Z19Z)18:2(9Z12Z)18:1(11Z)18:1(11Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB10293",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(22:6(4Z7Z10Z13Z16Z19Z)18:2(9Z12Z)18:1(11Z)18:1(9Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB10295",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(22:6(4Z7Z10Z13Z16Z19Z)18:2(9Z12Z)18:1(9Z)18:1(11Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB10296",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(22:6(4Z7Z10Z13Z16Z19Z)18:2(9Z12Z)18:1(9Z)18:1(9Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB10298",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(22:6(4Z7Z10Z13Z16Z19Z)18:2(9Z12Z)18:2(9Z12Z)18:1(11Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB10299",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(22:6(4Z7Z10Z13Z16Z19Z)18:2(9Z12Z)18:2(9Z12Z)18:1(9Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB10431",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(18:016:018:1(11Z))iso6","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB10447",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(18:1(11Z)18:018:2(9Z12Z))iso6","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB10452",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(18:1(9Z)16:020:2(11Z14Z))iso6","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB10457",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(18:1(9Z)18:1(11Z)18:1(9Z))iso3","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB10568",2,1e+05,"5_1",746.56201,993.1,"Multiple",746.56943,9.94,"PE-NMe2(16:018:1(9Z))","C41H80NO8P","745.562155053","M+H","ISgroup_5_1354_57",6158282.1,0.562
"HMDB10612",0,0,"5_1",413.28904,660.1,"Multiple",413.28564,8.23,"PG(18:022:5(4Z7Z10Z13Z16Z))","C46H81O10P","824.556735324","M+2H","ISgroup_5_797_29",12468128.8,0.289
"HMDB10613",0,0,"5_1",413.28904,660.1,"Multiple",413.28564,8.23,"PG(18:022:5(7Z10Z13Z16Z19Z))","C46H81O10P","824.556735324","M+2H","ISgroup_5_797_29",12468128.8,0.289
"HMDB10626",0,0,"5_1",413.28904,660.1,"Multiple",413.28564,8.23,"PG(18:1(11Z)22:4(7Z10Z13Z16Z))","C46H81O10P","824.556735324","M+2H","ISgroup_5_797_29",12468128.8,0.289
"HMDB10641",0,0,"5_1",413.28904,660.1,"Multiple",413.28564,8.23,"PG(18:1(9Z)22:4(7Z10Z13Z16Z))","C46H81O10P","824.556735324","M+2H","ISgroup_5_797_29",12468128.8,0.289
"HMDB11135",2,1e+05,"5_1",337.23515,858.6,"Multiple",337.23734,6.49,"5-HPETE","C20H32O4","336.230059512","M+H","ISgroup_5_1129_24",29401790.1,0.235
"HMDB11137",0,0,"5_1",178.12612,508.6,"Multiple",178.12759,8.25,"11-Epi-PGF2a","C20H34O5","354.240624198","M+2H","ISgroup_5_514_13",29081289.6,0.126
"HMDB11230",0,0,"2_1",424.36347,954.8,"Multiple",424.36677,7.78,"PC(P-16:024:0)","C48H96NO7P","829.692440943","M+H+NH4","ISgroup_2_1371_37",81153719.3,0.363
"HMDB11256",0,0,"2_1",424.36347,954.8,"Multiple",424.36677,7.78,"PC(P-18:022:0)","C48H96NO7P","829.692440943","M+H+NH4","ISgroup_2_1371_37",81153719.3,0.363
"HMDB11539",2,1e+05,"10_1",353.26651,1009.6,"Multiple",353.26864,6.03,"MG(0:018:3(6Z9Z12Z)0:0)","C21H36O4","352.26135964","M+H","ISgroup_10_1464_27",247148172.8,0.267
"HMDB11540",2,1e+05,"10_1",353.26651,1009.6,"Multiple",353.26864,6.03,"MG(0:018:3(9Z12Z15Z)0:0)","C21H36O4","352.26135964","M+H","ISgroup_10_1464_27",247148172.8,0.267
"HMDB11545",2,1e+05,"10_1",381.29764,1081.7,"Multiple",381.29994,6.03,"MG(0:020:3(11Z14Z17Z)0:0)","C23H40O4","380.292659768","M+H","ISgroup_10_1602_30",129596362.2,0.298
"HMDB11546",2,1e+05,"10_1",381.29764,1081.7,"Multiple",381.29994,6.03,"MG(0:020:3(5Z8Z11Z)0:0)","C23H40O4","380.292659768","M+H","ISgroup_10_1602_30",129596362.2,0.298
"HMDB11547",2,1e+05,"10_1",381.29764,1081.7,"Multiple",381.29994,6.03,"MG(0:020:3(8Z11Z14Z)0:0)","C23H40O4","380.292659768","M+H","ISgroup_10_1602_30",129596362.2,0.298
"HMDB11569",2,1e+05,"10_1",353.26651,1009.6,"Multiple",353.26864,6.03,"MG(18:3(6Z9Z12Z)0:00:0)","C21H36O4","352.26135964","M+H","ISgroup_10_1464_27",247148172.8,0.267
"HMDB11570",2,1e+05,"10_1",353.26651,1009.6,"Multiple",353.26864,6.03,"MG(18:3(9Z12Z15Z)0:00:0)","C21H36O4","352.26135964","M+H","ISgroup_10_1464_27",247148172.8,0.267
"HMDB11575",2,1e+05,"10_1",381.29764,1081.7,"Multiple",381.29994,6.03,"MG(20:3(11Z14Z17Z)0:00:0)","C23H40O4","380.292659768","M+H","ISgroup_10_1602_30",129596362.2,0.298
"HMDB11576",2,1e+05,"10_1",381.29764,1081.7,"Multiple",381.29994,6.03,"MG(20:3(5Z8Z11Z)0:00:0)","C23H40O4","380.292659768","M+H","ISgroup_10_1602_30",129596362.2,0.298
"HMDB11577",2,1e+05,"10_1",381.29764,1081.7,"Multiple",381.29994,6.03,"MG(20:3(8Z11Z14Z)0:00:0)","C23H40O4","380.292659768","M+H","ISgroup_10_1602_30",129596362.2,0.298
"HMDB11596",0,0,"10_1",214.10222,762.1,"Multiple",214.10042,8.41,"Queuosine","C17H23N5O7","409.159748115","M+H+NH4","ISgroup_10_997_11",180527219.8,0.102
"HMDB11652",2,1e+05,"5_1",377.23564,882.5,"Multiple",377.23225,8.99,"11beta-Hydroxy-320-dioxopregn-4-en-21-oic acid ","C22H32O5","376.224974134","M+H","ISgroup_5_1171_24",68665550.8,0.236
"HMDB11657",2,1e+05,"6_1",184.08211,505.8,"Unique",184.0829,4.29,"26-Diamino-4-hydroxy-5-N-methylformamidopyrimidine","C6H9N5O2","183.075624557","M+H","ISgroup_6_542_9",15188719.6,0.082
"HMDB11764",0,0,"5_1",307.31344,244.7,"Unique",307.31572,7.42,"Cer(d18:020:0)","C38H77NO3","595.590345335","M+H+NH4","ISgroup_5_12_32",18037192,0.313
"HMDB11912",0,0,"2_1",735.96929,775.1,"Unique",735.97397,6.36,"Ganglioside GM2 (d18:123:0)","C73H132N2O26","1452.906832406","M+H+NH4","ISgroup_2_1024_97",3462258.9,0.969
"HMDB12161",2,1e+05,"5_1",233.11243,872.7,"Multiple",233.1132,3.3,"4-(Glutamylamino) butanoate","C9H16N2O5","232.105921632","M+H","ISgroup_5_1154_12",72214869.9,0.112
"HMDB12167",0,0,"2_1",214.18037,602.2,"Multiple",214.18217,8.4,"4alpha-Formyl-4beta-methyl-5alpha-cholesta-824-dien-3beta-ol","C29H46O2","426.349780716","M+2H","ISgroup_2_704_19",8812837.3,0.18
"HMDB12171",0,0,"2_1",216.19582,639.7,"Multiple",216.19782,9.25,"4alpha-Hydroxymethyl-4beta-methyl-5alpha-cholesta-8-en-3beta-ol","C29H50O2","430.381080844","M+2H","ISgroup_2_776_20",3469530.6,0.196
"HMDB12241",2,1e+05,"5_1",159.06547,365.9,"Multiple",159.06518,1.82,"Isopropylmaleate","C7H10O4","158.057908808","M+H","ISgroup_5_238_7",22151998.4,0.065
"HMDB12271",2,1e+05,"5_1",178.08324,717.1,"Unique",178.08223,5.67,"O-Ureidohomoserine","C5H11N3O4","177.074955855","M+H","ISgroup_5_895_9",15240661.9,0.083
"HMDB12305",2,1e+05,"5_1",551.06528,955,"Unique",551.06738,3.81,"UDP-L-rhamnose","C15H24N2O16P2","550.060105754","M+H","ISgroup_5_1299_7",4084062.9,0.065
"HMDB12468",0,0,"2_1",214.03024,245.6,"Unique",214.03202,8.32,"(-)-Epigallocatechin sulfate","C15H13O10S","385.022942326","M+ACN+2H","ISgroup_2_1_4",1132889028.1,0.03
"HMDB12469",2,1e+05,"7_1",194.11787,331.7,"Multiple",194.11755,1.65,"(-)-Salsoline","C11H15NO2","193.110278729","M+H","ISgroup_7_139_12",208820429.9,0.118
"HMDB12484",2,1e+05,"7_1",194.11787,331.7,"Multiple",194.11755,1.65,"(R)-12-dimethyl-56-dihydroxy-tetrahydroisoquinoline","C11H15NO2","193.110278729","M+H","ISgroup_7_139_12",208820429.9,0.118
"HMDB12489",2,1e+05,"6_1",134.09635,546.1,"Multiple",134.09643,0.6,"1234-Tetrahydroisoquinoline","C9H11N","133.089149357","M+H","ISgroup_6_622_10",3877990.4,0.096
"HMDB12498",2,1e+05,"5_1",337.23515,858.6,"Multiple",337.23734,6.49,"1011-dihydro-12-oxo-LTB4","C20H32O4","336.230059512","M+H","ISgroup_5_1129_24",29401790.1,0.235
"HMDB12515",2,1e+05,"5_1",419.31607,991.3,"Multiple",419.31559,1.14,"11-Carboxy-alpha-chromanol","C26H42O4","418.308309832","M+H","ISgroup_5_1353_32",1689497654.6,0.316
"HMDB12556",0,0,"2_1",228.16332,541.7,"Multiple",228.16143,8.28,"13-Carboxy-alpha-tocotrienol","C29H42O4","454.308309832","M+2H","ISgroup_2_586_17",192033031.5,0.163
"HMDB12557",2,1e+05,"2_1",447.34665,1134.2,"Multiple",447.34689,0.54,"13-Carboxy-gamma-tocopherol","C28H46O4","446.33960996","M+H","ISgroup_2_1698_35",54734995.6,0.347
"HMDB12558",2,1e+05,"5_1",441.29803,1007.1,"Multiple",441.29994,4.33,"13-Carboxy-gamma-tocotrienol","C28H40O4","440.292659768","M+H","ISgroup_5_1369_30",652595531.3,0.298
"HMDB12563",0,0,"5_1",178.12612,508.6,"Multiple",178.12759,8.25,"1314-Dihydro- lipoxin A4","C20H34O5","354.240624198","M+2H","ISgroup_5_514_13",29081289.6,0.126
"HMDB12580",2,1e+05,"5_1",377.23564,882.5,"Multiple",377.23225,8.99,"14-hydroxy-E4-neuroprostane","C22H32O5","376.224974134","M+H","ISgroup_5_1171_24",68665550.8,0.236
"HMDB12601",2,1e+05,"5_1",377.23564,882.5,"Multiple",377.23225,8.99,"17-hydroxy-E4-neuroprostane","C22H32O5","376.224974134","M+H","ISgroup_5_1171_24",68665550.8,0.236
"HMDB12638",2,1e+05,"5_1",377.23564,882.5,"Multiple",377.23225,8.99,"20-hydroxy-E4-neuroprostane","C22H32O5","376.224974134","M+H","ISgroup_5_1171_24",68665550.8,0.236
"HMDB12777",2,1e+05,"5_1",377.23564,882.5,"Multiple",377.23225,8.99,"4-hydroxy-D4-neuroprostane","C22H32O5","376.224974134","M+H","ISgroup_5_1171_24",68665550.8,0.236
"HMDB12839",2,1e+05,"5_1",337.23515,858.6,"Multiple",337.23734,6.49,"67-dihydro-5-oxo-12-epi-LTB4","C20H32O4","336.230059512","M+H","ISgroup_5_1129_24",29401790.1,0.235
"HMDB12855",2,1e+05,"5_1",377.23564,882.5,"Multiple",377.23225,8.99,"7-hydroxy-D4-neuroprostane","C22H32O5","376.224974134","M+H","ISgroup_5_1171_24",68665550.8,0.236
"HMDB12866",2,1e+05,"10_1",391.28443,1062.6,"Multiple",391.28429,0.36,"9-Carboxy-alpha-chromanol","C24H38O4","390.277009704","M+H","ISgroup_10_1565_29",112944479.3,0.284
"HMDB13041",0,0,"5_1",178.12612,508.6,"Multiple",178.12759,8.25,"Prostaglandin H1","C20H34O5","354.240624198","M+2H","ISgroup_5_514_13",29081289.6,0.126
"HMDB13132",0,0,"5_1",141.10664,1033.4,"Multiple",141.10719,3.9,"Hydroxyvalerylcarnitine","C12H25NO5","263.173272915","M+H+NH4","ISgroup_5_1402_11",3858827.1,0.107
"HMDB13200",0,0,"2_1",191.08479,700.9,"Multiple",191.08645,8.69,"5-Hydroxytryptophol glucuronide","C16H21NO7","339.131802031","M+ACN+2H","ISgroup_2_888_9",58144143,0.085
"HMDB13272",2,1e+05,"2_1",258.20647,722.2,"Unique",258.20637,0.39,"N-Lauroylglycine","C14H27NO3","257.199093735","M+H","ISgroup_2_927_21",16428119.4,0.206
"HMDB13433",0,0,"2_1",424.36347,954.8,"Multiple",424.36677,7.78,"PC(o-18:1(9Z)22:0)","C48H96NO7P","829.692440943","M+H+NH4","ISgroup_2_1371_37",81153719.3,0.363
"HMDB13625",0,0,"10_1",184.16965,228.9,"Multiple",184.16959,0.33,"Dihomo-gamma-Linolenoyl ethanolamide","C22H39NO2","349.298079497","M+H+NH4","ISgroup_10_1_17",5258584.2,0.17
"HMDB13648",0,0,"2_1",158.15426,852.6,"Unique",158.15394,2.02,"Palmitoleoyl Ethanolamide","C18H35NO2","297.266779369","M+H+NH4","ISgroup_2_1172_16",596125972.2,0.154
"HMDB13650",0,0,"10_1",210.16811,625.6,"Multiple",210.16705,5.04,"Arachidonoyl Serinol ","C23H39NO3","377.292994119","M+ACN+2H","ISgroup_10_754_17",2803943740.4,0.168
"HMDB13845",2,1e+05,"10_1",447.25216,819.2,"Unique",447.2503,4.16,"SR 49498","C25H30N6O2","446.243024234","M+H","ISgroup_10_1097_26",6294006.9,0.252
"HMDB13858",2,1e+05,"2_1",199.03922,595.3,"Multiple",199.03977,2.76,"3-Dechloroethylifosfamide","C5H12ClN2O2P","198.032491857","M+H","ISgroup_2_692_4",30551930.8,0.039
"HMDB13859",2,1e+05,"2_1",199.03922,595.3,"Multiple",199.03977,2.76,"2-Dechloroethylifosfamide","C5H12ClN2O2P","198.032491857","M+H","ISgroup_2_692_4",30551930.8,0.039
"HMDB13940",2,1e+05,"9_1",253.11878,739.2,"Multiple",253.11828,1.98,"3-Hydroxyhexobarbital","C12H16N2O4","252.11100701","M+H","ISgroup_9_1000_12",21013255.3,0.119
"HMDB13941",2,1e+05,"9_1",253.11878,739.2,"Multiple",253.11828,1.98,"Epoxy-hexobarbital","C12H16N2O4","252.11100701","M+H","ISgroup_9_1000_12",21013255.3,0.119
"HMDB14027",0,0,"2_1",191.08479,700.9,"Multiple",191.08319,8.37,"7-Hydroxygliclazide","C15H21N3O4S","339.125276865","M+ACN+2H","ISgroup_2_888_9",58144143,0.085
"HMDB14028",0,0,"2_1",191.08479,700.9,"Multiple",191.08319,8.37,"6-Hydroxygliclazide","C15H21N3O4S","339.125276865","M+ACN+2H","ISgroup_2_888_9",58144143,0.085
"HMDB14029",0,0,"2_1",191.08479,700.9,"Multiple",191.08319,8.37,"Methylhydroxygliclazide","C15H21N3O4S","339.125276865","M+ACN+2H","ISgroup_2_888_9",58144143,0.085
"HMDB14344",2,1e+05,"5_1",734.46899,667.9,"Multiple",734.46852,0.64,"Erythromycin","C37H67NO13","733.461241235","M+H","ISgroup_5_809_47",60968370.5,0.469
"HMDB14349",0,0,"11_1",230.08948,738,"Multiple",230.09016,2.96,"Dofetilide","C19H27N3O5S2","441.139212369","M+H+NH4","ISgroup_11_392_9",36772521.3,0.089
"HMDB14361",0,0,"2_1",192.09383,456.2,"Multiple",192.09303,4.16,"Eletriptan","C22H26N2O2S","382.171498776","M+2H","ISgroup_2_417_10",1799646308.7,0.094
"HMDB14365",0,0,"5_1",293.17773,763.1,"Unique",293.17709,2.18,"Nelfinavir","C32H45N3O4S","567.313077633","M+H+NH4","ISgroup_5_960_18",84712397,0.178
"HMDB14415",0,0,"5_1",195.093,511.6,"Multiple",195.09461,8.25,"Isradipine","C19H21N3O5","371.148120797","M+H+NH4","ISgroup_5_518_10",107533573.5,0.093
"HMDB14519",2,1e+05,"1_1",282.20431,670.9,"Unique",282.20551,4.25,"Colestipol","C11H28ClN5O","281.19823825","M+H","ISgroup_1_862_21",42725124.3,0.204
"HMDB14533",2,1e+05,"5_1",187.05172,395.1,"Multiple",187.05357,9.89,"Carbimazole","C7H10N2O2S","186.046298264","M+H","ISgroup_5_294_6",1986176.6,0.052
"HMDB14546",2,1e+05,"5_1",389.11172,834.2,"Multiple",389.11234,1.59,"Eszopiclone","C17H17ClN6O3","388.105066147","M+H","ISgroup_5_1086_12",57985522.1,0.112
"HMDB14563",2,1e+05,"2_1",220.15277,640.6,"Unique",220.15433,7.09,"Miglustat","C10H21NO4","219.147058165","M+H","ISgroup_2_777_16",21204078.6,0.153
"HMDB14599",2,1e+05,"10_1",397.05455,724.5,"Unique",397.05225,5.79,"Cefalotin","C16H16N2O6S2","396.044977634","M+H","ISgroup_10_935_6",1934752951.2,0.055
"HMDB14632",2,1e+05,"7_1",273.12589,733.9,"Multiple",273.12674,3.11,"Sotalol","C12H20N2O3S","272.119463206","M+H","ISgroup_7_942_13",9716873.9,0.126
"HMDB14633",0,0,"7_1",214.14469,591.6,"Unique",214.14444,1.17,"Buspirone","C21H31N5O2","385.247775261","M+ACN+2H","ISgroup_7_658_15",8136416,0.145
"HMDB14648",2,1e+05,"1_1",319.28453,942.5,"Unique",319.28697,7.64,"Tridihexethyl","C21H36NO","318.279689779","M+H","ISgroup_1_1393_29",19445787.8,0.285
"HMDB14675",0,0,"10_1",219.04038,286.8,"Unique",219.03846,8.77,"Cefdinir","C14H13N5O5S2","395.035809931","M+ACN+2H","ISgroup_10_111_5",150864486,0.04
"HMDB14695",0,0,"6_1",149.02362,681.4,"Multiple",149.02448,5.77,"Lamotrigine","C9H7Cl2N5","255.007850663","M+ACN+2H","ISgroup_6_891_3",191010038.2,0.024
"HMDB14723",2,1e+05,"2_1",332.11969,777.9,"Unique",332.12094,3.76,"Nizatidine","C12H21N5O2S2","331.113666321","M+H","ISgroup_2_1028_12",95294262.5,0.12
"HMDB14808",0,0,"10_1",197.10369,293.9,"Unique",197.10531,8.22,"Pirenzepine","C19H21N5O2","351.169524941","M+ACN+2H","ISgroup_10_123_11",136683756.6,0.104
"HMDB14838",2,1e+05,"4_1",415.2127,886.3,"Multiple",415.21151,2.87,"Eplerenone","C24H30O6","414.204238692","M+H","ISgroup_4_816_22",36435465.6,0.213
"HMDB14842",2,1e+05,"2_1",342.17008,824.2,"Multiple",342.16998,0.29,"Naltrexone","C20H23NO4","341.162708229","M+H","ISgroup_2_1117_18",190507444.7,0.17
"HMDB14869",0,0,"10_1",168.12141,625.7,"Multiple",168.1201,7.79,"Nateglinide","C19H27NO3","317.199093735","M+H+NH4","ISgroup_10_754_13",9598023.1,0.121
"HMDB14875",0,0,"10_1",196.1022,292.6,"Unique",196.10041,9.13,"Meclizine","C25H27ClN2","390.186276581","M+2H","ISgroup_10_122_11",1456226546.7,0.102
"HMDB14890",2,1e+05,"6_1",134.09635,546.1,"Multiple",134.09643,0.6,"Tranylcypromine","C9H11N","133.089149357","M+H","ISgroup_6_622_10",3877990.4,0.096
"HMDB14928",2,1e+05,"10_1",369.23923,977.8,"Unique",369.2384,2.25,"Perindopril","C19H32N2O5","368.231122144","M+H","ISgroup_10_1404_24",23106041.6,0.239
"HMDB14980",0,0,"5_1",152.54526,1046.3,"Multiple",152.546,4.85,"Oxazepam","C15H11ClN2O2","286.050905313","M+H+NH4","ISgroup_5_1417_55",6847597,0.545
"HMDB15002",2,1e+05,"5_1",804.48884,863.8,"Unique",804.48925,0.51,"Tacrolimus","C44H69NO12","803.481976677","M+H","ISgroup_5_1138_49",6505980.9,0.489
"HMDB15157",0,0,"5_1",226.18037,751.9,"Multiple",226.18217,7.96,"Phytonadione","C31H46O2","450.349780716","M+2H","ISgroup_5_941_19",59875437,0.18
"HMDB15194",2,1e+05,"11_1",462.14665,977.4,"Unique",462.14418,5.34,"Azlocillin","C20H23N5O6S","461.136904183","M+H","ISgroup_11_843_15",17451008.4,0.147
"HMDB15239",2,1e+05,"5_1",184.13406,508.1,"Unique",184.1332,4.67,"Methyprylon","C10H17NO2","183.125928793","M+H","ISgroup_5_514_14",5913431.8,0.134
"HMDB15259",2,1e+05,"5_1",381.03498,769.7,"Unique",381.03227,7.11,"Econazole","C18H15Cl3N2O","380.024996233","M+H","ISgroup_5_970_4",28349865.1,0.035
"HMDB15276",0,0,"10_1",203.014,379.6,"Unique",203.0158,8.87,"Sulfoxone","C14H16N2O6S3","404.017048324","M+2H","ISgroup_10_279_2",21855363.2,0.014
"HMDB15285",2,1e+05,"5_1",255.11826,635.6,"Unique",255.11617,8.19,"Thiamylal","C12H18N2O2S","254.10889852","M+H","ISgroup_5_753_12",19236695.6,0.118
"HMDB15329",2,1e+05,"5_1",389.11172,834.2,"Multiple",389.11234,1.59,"Zopiclone","C17H17ClN6O3","388.105066147","M+H","ISgroup_5_1086_12",57985522.1,0.112
"HMDB15375",0,0,"10_1",130.15938,297.8,"Unique",130.15903,2.69,"Decamethonium","C16H38N2","258.303499226","M+2H","ISgroup_10_127_16",27521947.7,0.159
"HMDB15424",2,1e+05,"5_1",646.14469,1000.2,"Unique",646.14968,7.72,"Cefoperazone","C25H27N9O8S2","645.142400265","M+H","ISgroup_5_1361_15",67071201.6,0.145
"HMDB15471",2,1e+05,"10_1",259.05787,490.2,"Multiple",259.0601,8.61,"Salsalate","C14H10O5","258.05282343","M+H","ISgroup_10_489_6",27085415.5,0.058
"HMDB15497",2,1e+05,"5_1",229.08627,738.6,"Multiple",229.08592,1.53,"Oxybenzone","C14H12O3","228.07864425","M+H","ISgroup_5_921_9",258002946.6,0.086
"HMDB15519",3,259615384.615385,"10_1",192.13883,631.4,"Multiple",192.13829,2.81,"Phendimetrazine","C12H17NO","191.131014171","M+H","ISgroup_10_761_14",2287096450.4,0.139
"HMDB15519",3,259615384.615385,"10_1",193.14155,631,"Multiple",NA,NA,"Phendimetrazine","C12H17NO","-","M+H_[+1]","ISgroup_10_761_15",294220741.875,0.141549999999995
"HMDB15520",2,1e+05,"1_1",266.17662,758,"Multiple",266.17507,5.82,"Oxprenolol","C15H23NO3","265.167793607","M+H","ISgroup_1_1028_18",29207341.7,0.177
"HMDB15537",0,0,"9_1",259.15993,787,"Multiple",259.16206,8.22,"Probucol","C31H48O2S2","516.30957216","M+2H","ISgroup_9_1091_16",20183515.4,0.16
"HMDB15575",2,1e+05,"5_1",229.08627,738.6,"Multiple",229.08592,1.53,"Trioxsalen","C14H12O3","228.07864425","M+H","ISgroup_5_921_9",258002946.6,0.086
"HMDB15592",0,0,"10_1",168.12141,625.7,"Multiple",168.1201,7.79,"Tetrabenazine","C19H27NO3","317.199093735","M+H+NH4","ISgroup_10_754_13",9598023.1,0.121
"HMDB15603",0,0,"9_1",258.15312,737.3,"Multiple",258.15246,2.56,"Ximelagatran","C24H35N5O5","473.263819255","M+ACN+2H","ISgroup_9_997_16",141807700.5,0.153
"HMDB15620",0,0,"10_1",133.08894,707.1,"Multiple",133.0886,2.55,"Mianserin","C18H20N2","264.16264865","M+2H","ISgroup_10_907_9",52691997.1,0.089
"HMDB15649",2,1e+05,"11_1",606.13808,776.9,"Unique",606.14048,3.96,"Gadobutrol","C18H31GdN4O9","605.133204143","M+H","ISgroup_11_468_14",3327142.8,0.138
"HMDB15657",0,0,"10_1",202.08586,569.8,"Multiple",202.08424,8.02,"Nilvadipine","C19H19N3O6","385.127385355","M+H+NH4","ISgroup_10_645_9",24738771.9,0.086
"HMDB15667",2,1e+05,"5_1",315.09319,779.3,"Unique",315.09102,6.89,"Sulfaphenazole","C15H14N4O2S","314.083746402","M+H","ISgroup_5_985_10",43268576.9,0.093
"HMDB15692",3,267326732.673267,"10_1",286.13873,739.2,"Multiple",286.13724,5.21,"Isothipendyl","C16H19N3S","285.129968313","M+H","ISgroup_10_958_14",656072124.3,0.139
"HMDB15692",3,267326732.673267,"10_1",287.14162,739.1,"Multiple",NA,NA,"Isothipendyl","C16H19N3S","-","M+H_[+1]","ISgroup_10_958_15",97468106.2083333,0.141619999999989
"HMDB28699",2,1e+05,"9_1",253.11878,739.2,"Multiple",253.11828,1.98,"Alanyl-Tyrosine","C12H16N2O4","252.11100701","M+H","ISgroup_9_1000_12",21013255.3,0.119
"HMDB28766",2,1e+05,"5_1",233.11243,872.7,"Multiple",233.1132,3.3,"Aspartyl-Valine","C9H16N2O5","232.105921632","M+H","ISgroup_5_1154_12",72214869.9,0.112
"HMDB28784",2,1e+05,"10_1",209.05954,398.2,"Multiple",209.05905,2.34,"Cysteinyl-Serine","C6H12N2O4S","208.051777572","M+H","ISgroup_10_312_6",1181056220.9,0.06
"HMDB28854",2,1e+05,"5_1",175.10605,667.3,"Multiple",175.10772,9.54,"Glycyl-Valine","C7H14N2O3","174.100442324","M+H","ISgroup_5_809_11",12060923.8,0.106
"HMDB28873",2,1e+05,"5_1",233.11243,872.7,"Multiple",233.1132,3.3,"Hydroxyprolyl-Threonine","C9H16N2O5","232.105921632","M+H","ISgroup_5_1154_12",72214869.9,0.112
"HMDB28891",3,235922330.097087,"10_1",287.11862,379.5,"Multiple",287.11724,4.81,"Histidinyl-Methionine","C11H18N4O3S","286.109961152","M+H","ISgroup_10_279_12",156149694.7,0.119
"HMDB28891",3,235922330.097087,"10_1",288.12145,379.2,"Multiple",NA,NA,"Histidinyl-Methionine","C11H18N4O3S","-","M+H_[+1]","ISgroup_10_279_13",14669862.1166667,0.121449999999982
"HMDB28896",0,0,"2_1",192.09383,456.2,"Multiple",192.09495,5.83,"Histidinyl-Tryptophan","C17H19N5O3","341.148789499","M+ACN+2H","ISgroup_2_417_10",1799646308.7,0.094
"HMDB28910",2,1e+05,"5_1",245.18822,271.6,"Multiple",245.18597,9.18,"Isoleucyl-Isoleucine","C12H24N2O3","244.178692644","M+H","ISgroup_5_62_19",17315452.9,0.188
"HMDB28911",2,1e+05,"5_1",245.18822,271.6,"Multiple",245.18597,9.18,"Isoleucyl-Leucine","C12H24N2O3","244.178692644","M+H","ISgroup_5_62_19",17315452.9,0.188
"HMDB28932",2,1e+05,"5_1",245.18822,271.6,"Multiple",245.18597,9.18,"Leucyl-Isoleucine","C12H24N2O3","244.178692644","M+H","ISgroup_5_62_19",17315452.9,0.188
"HMDB28933",2,1e+05,"5_1",245.18822,271.6,"Multiple",245.18597,9.18,"Leucyl-Leucine","C12H24N2O3","244.178692644","M+H","ISgroup_5_62_19",17315452.9,0.188
"HMDB28975",3,235922330.097087,"10_1",287.11862,379.5,"Multiple",287.11724,4.81,"Methionyl-Histidine","C11H18N4O3S","286.109961152","M+H","ISgroup_10_279_12",156149694.7,0.119
"HMDB28975",3,235922330.097087,"10_1",288.12145,379.2,"Multiple",NA,NA,"Methionyl-Histidine","C11H18N4O3S","-","M+H_[+1]","ISgroup_10_279_13",14669862.1166667,0.121449999999982
"HMDB28983",2,1e+05,"5_1",251.10667,985.7,"Multiple",251.106,2.67,"Methionyl-Threonine","C9H18N2O4S","250.098727764","M+H","ISgroup_5_1344_11",23915611.9,0.107
"HMDB29004",2,1e+05,"9_1",253.11878,739.2,"Multiple",253.11828,1.98,"Phenylalanyl-Serine","C12H16N2O4","252.11100701","M+H","ISgroup_9_1000_12",21013255.3,0.119
"HMDB29036",2,1e+05,"10_1",209.05954,398.2,"Multiple",209.05905,2.34,"Serinyl-Cysteine","C6H12N2O4S","208.051777572","M+H","ISgroup_10_312_6",1181056220.9,0.06
"HMDB29046",2,1e+05,"9_1",253.11878,739.2,"Multiple",253.11828,1.98,"Serinyl-Phenylalanine","C12H16N2O4","252.11100701","M+H","ISgroup_9_1000_12",21013255.3,0.119
"HMDB29062",2,1e+05,"5_1",233.11243,872.7,"Multiple",233.1132,3.3,"Threoninyl-Hydroxyproline","C9H16N2O5","232.105921632","M+H","ISgroup_5_1154_12",72214869.9,0.112
"HMDB29067",2,1e+05,"5_1",251.10667,985.7,"Multiple",251.106,2.67,"Threoninyl-Methionine","C9H18N2O4S","250.098727764","M+H","ISgroup_5_1344_11",23915611.9,0.107
"HMDB29085",0,0,"2_1",192.09383,456.2,"Multiple",192.09495,5.83,"Tryptophyl-Histidine","C17H19N5O3","341.148789499","M+ACN+2H","ISgroup_2_417_10",1799646308.7,0.094
"HMDB29098",2,1e+05,"9_1",253.11878,739.2,"Multiple",253.11828,1.98,"Tyrosyl-Alanine","C12H16N2O4","252.11100701","M+H","ISgroup_9_1000_12",21013255.3,0.119
"HMDB29123",2,1e+05,"5_1",233.11243,872.7,"Multiple",233.1132,3.3,"Valyl-Aspartate","C9H16N2O5","232.105921632","M+H","ISgroup_5_1154_12",72214869.9,0.112
"HMDB29127",2,1e+05,"5_1",175.10605,667.3,"Multiple",175.10772,9.54,"Valyl-Glycine","C7H14N2O3","174.100442324","M+H","ISgroup_5_809_11",12060923.8,0.106
"HMDB29199",0,0,"5_1",164.03964,717.7,"Multiple",164.03917,2.87,"Fertaric acid","C14H14O9","326.063782046","M+2H","ISgroup_5_896_4",7458392.2,0.04
"HMDB29208",0,0,"1_1",225.05975,704.7,"Multiple",225.05756,9.73,"naringenin-4-O-glucuronide","C21H20O11","448.100561482","M+2H","ISgroup_1_927_6",249431945.6,0.06
"HMDB29209",0,0,"1_1",225.05975,704.7,"Multiple",225.05756,9.73,"naringenin-7-O-glucuronide","C21H20O11","448.100561482","M+2H","ISgroup_1_927_6",249431945.6,0.06
"HMDB29238",0,0,"5_1",252.07383,951.4,"Unique",252.07474,3.61,"Cyanidin 3-O-(6-acetyl-arabinoside)","C22H21O11","461.108386514","M+ACN+2H","ISgroup_5_1293_8",52092430.5,0.074
"HMDB29248",0,0,"10_1",238.07819,594.8,"Multiple",238.07729,3.78,"Luteolinidin 3-O-glucoside","C21H21O10","433.113471892","M+ACN+2H","ISgroup_10_694_8",9538920.9,0.078
"HMDB29274",0,0,"5_1",236.01509,238.6,"Unique",236.01335,7.37,"Sanguisorbic acid dilactone","C21H10O13","470.012140406","M+2H","ISgroup_5_1_2",5568939.9,0.015
"HMDB29286",0,0,"2_1",189.07001,363.6,"Multiple",189.0708,4.18,"Avenanthramide 2s","C18H17NO7","359.100501903","M+H+NH4","ISgroup_2_234_8",18616846.5,0.07
"HMDB29313",0,0,"10_1",284.14217,738.7,"Unique",284.14363,5.14,"Canescein","C29H42O11","566.272712186","M+2H","ISgroup_10_958_15",1935651649.6,0.142
"HMDB29343",0,0,"2_1",460.26945,686.1,"Multiple",460.2723,6.19,"beta1-Tomatidine","C45H75NO17","901.503499979","M+H+NH4","ISgroup_2_863_27",8637562.8,0.269
"HMDB29393",2,1e+05,"5_1",233.11243,872.7,"Multiple",233.1132,3.3,"L-N-(3-Carboxypropyl)glutamine","C9H16N2O5","232.105921632","M+H","ISgroup_5_1154_12",72214869.9,0.112
"HMDB29428",2,1e+05,"10_1",271.12918,733.6,"Unique",271.12885,1.22,"Hypoglycin B","C12H18N2O5","270.121571696","M+H","ISgroup_10_950_13",35691855.2,0.129
"HMDB29499",0,0,"3_1",226.56334,1147,"Multiple",226.56301,1.46,"Fukinolic acid","C20H18O11","434.084911418","M+H+NH4","ISgroup_3_1570_57",2480037,0.563
"HMDB29538",0,0,"5_1",208.55821,1119.7,"Multiple",208.56007,8.92,"Neodiospyrin","C22H14O6","374.07903818","M+ACN+2H","ISgroup_5_1543_56",2048280.3,0.558
"HMDB29629",2,1e+05,"5_1",713.1383,948.2,"Unique",713.13484,4.85,"26-Digalloyliriflophenone 3-C-glucoside","C33H28O18","712.127564092","M+H","ISgroup_5_1288_14",20196818.4,0.138
"HMDB29668",2,1e+05,"2_1",209.15471,781.5,"Multiple",209.15361,5.26,"Eremopetasinorol","C13H20O2","208.146329884","M+H","ISgroup_2_1034_16",36214625.7,0.155
"HMDB29674",2,1e+05,"5_1",187.05172,395.1,"Multiple",187.05203,1.66,"2-Chloro-13-dimethoxy-5-methylbenzene","C9H11ClO2","186.044757303","M+H","ISgroup_5_294_6",1986176.6,0.052
"HMDB29708",2,1e+05,"5_1",162.12805,669.9,"Unique",162.12773,1.97,"5678-Tetrahydro-24-dimethylquinoline","C11H15N","161.120449485","M+H","ISgroup_5_811_13",10280520.3,0.128
"HMDB29709",2,1e+05,"10_1",148.11237,713.9,"Multiple",148.11208,1.96,"5678-Tetrahydro-4-methylquinoline","C10H13N","147.104799421","M+H","ISgroup_10_918_12",390960627.9,0.112
"HMDB29711",0,0,"5_1",152.54526,1046.3,"Multiple",152.54442,5.51,"Maritimetin","C15H10O6","286.047738052","M+H+NH4","ISgroup_5_1417_55",6847597,0.545
"HMDB29758",2,1e+05,"5_1",177.05475,510,"Multiple",177.05462,0.73,"Herniarin","C10H8O3","176.047344122","M+H","ISgroup_5_516_6",40920417.9,0.055
"HMDB29818",2,1e+05,"5_1",229.08627,738.6,"Multiple",229.08592,1.53,"Benzyl salicylate","C14H12O3","228.07864425","M+H","ISgroup_5_921_9",258002946.6,0.086
"HMDB29846",0,0,"10_1",168.12141,625.7,"Multiple",168.1201,7.79,"Nonivamide","C17H27NO3","293.199093735","M+ACN+2H","ISgroup_10_754_13",9598023.1,0.121
"HMDB29931",0,0,"2_1",334.11633,775.4,"Multiple",334.11821,5.63,"Mannan","C24H42O21","666.221858406","M+2H","ISgroup_2_1024_12",9748008,0.116
"HMDB29959",0,0,"7_1",304.24839,1024.6,"Multiple",304.25025,6.11,"Asiminenin A","C37H66O6","606.485939844","M+2H","ISgroup_7_1515_25",47831632.7,0.248
"HMDB30015",0,0,"2_1",214.18037,602.2,"Multiple",214.18217,8.4,"7-Oxostigmasterol","C29H46O2","426.349780716","M+2H","ISgroup_2_704_19",8812837.3,0.18
"HMDB30016",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"Valerenic acid","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB30022",0,0,"2_1",216.19582,639.7,"Multiple",216.19782,9.25,"Ikshusterol","C29H50O2","430.381080844","M+2H","ISgroup_2_776_20",3469530.6,0.196
"HMDB30057",2,1e+05,"10_1",413.26618,1097.6,"Unique",413.26864,5.95,"Boviquinone 4","C26H36O4","412.26135964","M+H","ISgroup_10_1633_27",35138834.1,0.266
"HMDB30134",0,0,"5_1",269.09928,641.8,"Multiple",269.09903,0.93,"Asticolorin B","C33H28O7","536.18350325","M+2H","ISgroup_5_764_10",16271674.9,0.099
"HMDB30147",2,1e+05,"5_1",377.23564,882.5,"Multiple",377.23225,8.99,"Prehumulone","C22H32O5","376.224974134","M+H","ISgroup_5_1171_24",68665550.8,0.236
"HMDB30184",2,1e+05,"2_1",342.17008,824.2,"Multiple",342.16998,0.29,"(S)-Isocorydine","C20H23NO4","341.162708229","M+H","ISgroup_2_1117_18",190507444.7,0.17
"HMDB30191",3,4764705.88235295,"10_1",284.12795,379.4,"Multiple",284.12812,0.6,"N-2-Hydroxy-2-(4-hydroxyphenyl)ethylcinnamide","C17H17NO3","283.120843415","M+H","ISgroup_10_279_13",215413053.4,0.128
"HMDB30218",2,1e+05,"5_1",228.06703,947.5,"Multiple",228.06552,6.62,"Lansine","C13H9NO3","227.058243159","M+H","ISgroup_5_1287_7",37428821.9,0.067
"HMDB30290",2,1e+05,"5_1",225.19641,939.2,"Unique",225.19614,1.2,"Cuscohygrine","C13H24N2O","224.1888634","M+H","ISgroup_5_1272_20",79705770,0.196
"HMDB30311",2,1e+05,"2_1",213.10252,607.6,"Multiple",213.10224,1.31,"Harmine","C13H12N2O","212.094963016","M+H","ISgroup_2_714_11",53824153.9,0.103
"HMDB30319",2,1e+05,"5_1",228.06703,947.5,"Multiple",228.06552,6.62,"Mukeic acid","C13H9NO3","227.058243159","M+H","ISgroup_5_1287_7",37428821.9,0.067
"HMDB30343",0,0,"9_1",260.15005,737,"Unique",260.15126,4.65,"Corchoroside B","C29H42O8","518.28796832","M+2H","ISgroup_9_997_16",37898304.5,0.15
"HMDB30345",2,1e+05,"5_1",126.09246,535.1,"Multiple",126.09134,8.88,"6-Acetyl-1234-tetrahydropyridine","C7H11NO","125.084063979","M+H","ISgroup_5_562_10",12570179.4,0.092
"HMDB30346",2,1e+05,"10_1",148.11237,713.9,"Multiple",148.11208,1.96,"(S)-Actinidine","C10H13N","147.104799421","M+H","ISgroup_10_918_12",390960627.9,0.112
"HMDB30348",2,1e+05,"5_1",266.11785,373.7,"Multiple",266.11755,1.13,"Anonaine","C17H15NO2","265.110278729","M+H","ISgroup_5_253_12",9633310.5,0.118
"HMDB30400",2,1e+05,"10_1",239.05867,723.3,"Multiple",239.05818,2.05,"L-4-Chlorotryptophan","C11H11ClN2O2","238.050905313","M+H","ISgroup_10_934_6",31576397.1,0.059
"HMDB30404",2,1e+05,"4_1",415.2127,886.3,"Multiple",415.21151,2.87,"Armillaripin","C24H30O6","414.204238692","M+H","ISgroup_4_816_22",36435465.6,0.213
"HMDB30406",2,1e+05,"10_1",164.07278,417.3,"Multiple",164.07398,7.31,"L-2-Amino-5-(methylthio)pentanoic acid","C6H13NO2S","163.066699355","M+H","ISgroup_10_349_8",74844957.9,0.073
"HMDB30412",2,1e+05,"10_1",161.05416,296.2,"Multiple",161.05568,9.44,"Tricholomic acid","C5H8N2O4","160.048406754","M+H","ISgroup_10_125_6",5569164.2,0.054
"HMDB30425",2,1e+05,"10_1",211.17037,625.7,"Multiple",211.16926,5.26,"Linalyl propionate","C13H22O2","210.161979948","M+H","ISgroup_10_754_18",362431364.1,0.17
"HMDB30448",2,1e+05,"5_1",765.51747,716.4,"Unique",765.51474,3.57,"Narasin","C43H72O11","764.507463146","M+H","ISgroup_5_895_52",7061188,0.517
"HMDB30455",2,1e+05,"5_1",377.23564,882.5,"Multiple",377.23225,8.99,"Macrophorin C","C22H32O5","376.224974134","M+H","ISgroup_5_1171_24",68665550.8,0.236
"HMDB30463",2,1e+05,"4_1",537.39486,1115.6,"Unique",537.39384,1.9,"Hyperforin","C35H52O4","536.386560152","M+H","ISgroup_4_1270_40",109616889.7,0.395
"HMDB30517",0,0,"3_1",835.23972,1120.8,"Unique",835.23404,6.8,"Thiopeptin Ba","C71H84N18O18S6","1668.453522114","M+2H","ISgroup_3_1521_24",343758003.8,0.24
"HMDB30543",0,0,"5_1",152.54526,1046.3,"Multiple",152.54442,5.51,"Norartocarpetin","C15H10O6","286.047738052","M+H+NH4","ISgroup_5_1417_55",6847597,0.545
"HMDB30558",2,1e+05,"5_1",613.18241,1045.7,"Multiple",613.17631,9.95,"Safflomin A","C27H32O16","612.169034976","M+H","ISgroup_5_1417_19",299618142.7,0.182
"HMDB30580",2,1e+05,"2_1",193.08755,337.8,"Multiple",193.08592,8.44,"(R)-Shinanolone","C11H12O3","192.07864425","M+H","ISgroup_2_183_9",372893005.3,0.088
"HMDB30582",2,1e+05,"5_1",237.07776,620.1,"Multiple",237.07575,8.48,"Dillapional","C12H12O5","236.068473494","M+H","ISgroup_5_726_8",91657037.3,0.078
"HMDB30614",0,0,"1_1",225.05975,704.7,"Multiple",225.05756,9.73,"Orientin","C21H20O11","448.100561482","M+2H","ISgroup_1_927_6",249431945.6,0.06
"HMDB30656",2,1e+05,"4_1",379.15145,768.6,"Multiple",379.154,6.73,"Demethylcalabaxanthone","C23H22O5","378.146723814","M+H","ISgroup_4_589_16",30526879.1,0.151
"HMDB30752",2,1e+05,"2_1",193.08755,337.8,"Multiple",193.08592,8.44,"Methyl trans-p-methoxycinnamate","C11H12O3","192.07864425","M+H","ISgroup_2_183_9",372893005.3,0.088
"HMDB30755",2,1e+05,"5_1",301.14093,805.9,"Multiple",301.14344,8.33,"Myrigalone E","C18H20O4","300.136159128","M+H","ISgroup_5_1033_15",17101225.4,0.141
"HMDB30810",2,1e+05,"5_1",387.18108,688,"Multiple",387.18021,2.25,"Porson","C22H26O6","386.172938564","M+H","ISgroup_5_844_19",2324363950,0.181
"HMDB30831",2,1e+05,"10_1",259.05787,490.2,"Multiple",259.0601,8.61,"Alternariol","C14H10O5","258.05282343","M+H","ISgroup_10_489_6",27085415.5,0.058
"HMDB30858",2,1e+05,"5_1",237.07776,620.1,"Multiple",237.07575,8.48,"Austdiol","C12H12O5","236.068473494","M+H","ISgroup_5_726_8",91657037.3,0.078
"HMDB30860",0,0,"3_1",226.56334,1147,"Multiple",226.56301,1.46,"Avicularin","C20H18O11","434.084911418","M+H+NH4","ISgroup_3_1570_57",2480037,0.563
"HMDB30864",0,0,"1_1",225.05975,704.7,"Multiple",225.05756,9.73,"Trifolin","C21H20O11","448.100561482","M+2H","ISgroup_1_927_6",249431945.6,0.06
"HMDB30871",2,1e+05,"10_1",259.05787,490.2,"Multiple",259.0601,8.61,"Isogentisin","C14H10O5","258.05282343","M+H","ISgroup_10_489_6",27085415.5,0.058
"HMDB30922",2,1e+05,"5_1",301.14093,805.9,"Multiple",301.14344,8.33,"13-Diacetoxy-4612-tetradecatriene-810-diyne","C18H20O4","300.136159128","M+H","ISgroup_5_1033_15",17101225.4,0.141
"HMDB30940",0,0,"7_1",304.24839,1024.6,"Multiple",304.25025,6.11,"Squamocin L","C37H66O6","606.485939844","M+2H","ISgroup_7_1515_25",47831632.7,0.248
"HMDB30968",2,1e+05,"5_1",119.04993,587.9,"Multiple",119.04914,6.64,"246-Octatriyn-1-ol","C8H6O","118.041864814","M+H","ISgroup_5_665_5",19537642.6,0.05
"HMDB31014",2,1e+05,"10_1",211.17037,625.7,"Multiple",211.16926,5.26,"Methyl (2E6Z)-dodecadienoate","C13H22O2","210.161979948","M+H","ISgroup_10_754_18",362431364.1,0.17
"HMDB31054",2,1e+05,"5_1",177.05475,510,"Multiple",177.05462,0.73,"10-Hydroxy-28-decadiene-46-diynoic acid","C10H8O3","176.047344122","M+H","ISgroup_5_516_6",40920417.9,0.055
"HMDB31080",0,0,"2_1",214.18037,602.2,"Multiple",214.18217,8.4,"Momordenol","C29H46O2","426.349780716","M+2H","ISgroup_2_704_19",8812837.3,0.18
"HMDB31108",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"Tripetroselinin","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB31137",0,0,"10_1",182.12916,310.8,"Multiple",182.13013,5.33,"Annosquamosin A","C22H34O4","362.245709576","M+2H","ISgroup_10_151_13",1647754714.9,0.129
"HMDB31349",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"Epiacoronene","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB31402",0,0,"6_1",246.19747,237.3,"Multiple",246.1958,6.78,"23-Acetoxysoladulcidine","C29H47NO4","473.350508997","M+H+NH4","ISgroup_6_7_20",619525944.2,0.197
"HMDB31567",2,1e+05,"2_1",161.09644,707.9,"Multiple",161.09609,2.17,"3-Methyl-4-phenyl-3-buten-2-one","C11H12O","160.088815006","M+H","ISgroup_2_900_10",91105070.5,0.096
"HMDB31569",2,1e+05,"2_1",177.12778,722.3,"Multiple",177.12739,2.2,"4-Methyl-1-phenyl-2-pentanone","C12H16O","176.120115134","M+H","ISgroup_2_927_13",46516054.5,0.128
"HMDB31610",2,1e+05,"2_1",193.08755,337.8,"Multiple",193.08592,8.44,"Allyl phenoxyacetate","C11H12O3","192.07864425","M+H","ISgroup_2_183_9",372893005.3,0.088
"HMDB31623",2,1e+05,"2_1",193.08755,337.8,"Multiple",193.08592,8.44,"Ethyl phenylglycidate","C11H12O3","192.07864425","M+H","ISgroup_2_183_9",372893005.3,0.088
"HMDB31679",2,1e+05,"5_1",315.25297,886.3,"Multiple",315.25299,0.06,"(9xi10xi12xi)-910-Dihydroxy-12-octadecenoic acid","C18H34O4","314.245709576","M+H","ISgroup_5_1178_26",12032470.7,0.253
"HMDB31725",2,1e+05,"5_1",149.06002,865,"Multiple",149.05971,2.08,"(E)-3-(2-Hydroxyphenyl)-2-propenal","C9H8O2","148.0524295","M+H","ISgroup_5_1139_7",19920948.4,0.06
"HMDB31760",2,1e+05,"10_1",259.05787,490.2,"Multiple",259.0601,8.61,"Gentisin","C14H10O5","258.05282343","M+H","ISgroup_10_489_6",27085415.5,0.058
"HMDB31766",2,1e+05,"5_1",270.12548,734.7,"Unique",270.12553,0.19,"Alachlor","C14H20ClNO2","269.118256596","M+H","ISgroup_5_917_13",293320338,0.125
"HMDB31782",2,1e+05,"10_1",226.0908,788.1,"Unique",226.08963,5.17,"Ethiofencarb","C11H15NO2S","225.082349419","M+H","ISgroup_10_1039_10",404768166,0.091
"HMDB31797",2,1e+05,"7_1",194.11787,331.7,"Multiple",194.11755,1.65,"2-Isopropylphenyl methylcarbamate","C11H15NO2","193.110278729","M+H","ISgroup_7_139_12",208820429.9,0.118
"HMDB31867",2,1e+05,"5_1",245.18822,271.6,"Multiple",245.18999,7.22,"4-Acetyl-6-tert-butyl-11-dimethylindane","C17H24O","244.18271539","M+H","ISgroup_5_62_19",17315452.9,0.188
"HMDB31869",2,1e+05,"2_1",209.15471,781.5,"Multiple",209.15361,5.26,"(SE)-Lyratol propanoate","C13H20O2","208.146329884","M+H","ISgroup_2_1034_16",36214625.7,0.155
"HMDB31886",0,0,"7_1",304.24839,1024.6,"Multiple",304.25025,6.11,"Rollidecin D","C37H66O6","606.485939844","M+2H","ISgroup_7_1515_25",47831632.7,0.248
"HMDB31898",2,1e+05,"10_1",259.05787,490.2,"Multiple",259.0601,8.61,"Porric acid C","C14H10O5","258.05282343","M+H","ISgroup_10_489_6",27085415.5,0.058
"HMDB31931",0,0,"2_1",214.18037,602.2,"Multiple",214.18217,8.4,"Stigmast-22-ene-36-dione","C29H46O2","426.349780716","M+2H","ISgroup_2_704_19",8812837.3,0.18
"HMDB31938",0,0,"2_1",350.32682,1028.3,"Unique",350.32556,3.6,"Arachisprenol 10","C50H82O","698.636567246","M+2H","ISgroup_2_1498_33",97828706.6,0.327
"HMDB31998",2,1e+05,"2_1",342.17008,824.2,"Multiple",342.16998,0.29,"Peroxysimulenoline","C20H23NO4","341.162708229","M+H","ISgroup_2_1117_18",190507444.7,0.17
"HMDB32006",0,0,"10_1",418.11283,427.9,"Multiple",418.11527,5.84,"Epifisetinidol-(4beta-8)-epicatechin-(6-4beta)-epifisetinidol","C45H38O16","834.215985168","M+2H","ISgroup_10_369_12",3385713.8,0.113
"HMDB32052",2,1e+05,"10_1",211.17037,625.7,"Multiple",211.16926,5.26,"alpha-Terpineol propanoate","C13H22O2","210.161979948","M+H","ISgroup_10_754_18",362431364.1,0.17
"HMDB32066",2,1e+05,"2_1",213.10252,607.6,"Multiple",213.10224,1.31,"Carbanilide","C13H12N2O","212.094963016","M+H","ISgroup_2_714_11",53824153.9,0.103
"HMDB32081",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"410-Longipinanedione","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB32084",0,0,"2_1",214.18037,602.2,"Multiple",214.18217,8.4,"29-Norcycloartane-324-dione","C29H46O2","426.349780716","M+2H","ISgroup_2_704_19",8812837.3,0.18
"HMDB32098",2,1e+05,"10_1",211.17037,625.7,"Multiple",211.16926,5.26,"Cepanone","C13H22O2","210.161979948","M+H","ISgroup_10_754_18",362431364.1,0.17
"HMDB32107",2,1e+05,"2_1",447.34665,1134.2,"Multiple",447.34689,0.54,"(3beta5alpha6beta7alpha22E24R)-Ergosta-822-diene-3567-tetrol","C28H46O4","446.33960996","M+H","ISgroup_2_1698_35",54734995.6,0.347
"HMDB32112",0,0,"2_1",159.15744,659.4,"Unique",159.15615,8.11,"124-Nonadecanetriol","C19H40O3","316.297745146","M+2H","ISgroup_2_814_16",55801933.5,0.157
"HMDB32123",2,1e+05,"2_1",447.34665,1134.2,"Multiple",447.34689,0.54,"(3beta5alpha6alpha9alpha22E24R)-Ergosta-722-diene-3569-tetrol","C28H46O4","446.33960996","M+H","ISgroup_2_1698_35",54734995.6,0.347
"HMDB32134",2,1e+05,"11_1",479.17837,948,"Multiple",479.17592,5.11,"Gentiobiosyl 2-methyl-6-oxo-2E4E-heptadienoate","C20H30O13","478.168641046","M+H","ISgroup_11_793_18",22435526.7,0.178
"HMDB32178",2,1e+05,"2_1",159.1171,750.4,"Unique",159.11683,1.7,"Butadiene-styrene rubber","C12H14","158.109550448","M+H","ISgroup_2_981_12",11618335.8,0.117
"HMDB32217",2,1e+05,"5_1",229.08627,738.6,"Multiple",229.08592,1.53,"24-Difurfurylfuran","C14H12O3","228.07864425","M+H","ISgroup_5_921_9",258002946.6,0.086
"HMDB32226",2,1e+05,"5_1",372.18371,972.6,"Unique",372.18055,8.49,"N-2-(34-Dimethoxyphenyl)ethyl-34-dimethoxycinnamic acid amide","C21H25NO5","371.173272915","M+H","ISgroup_5_1327_19",4538727.7,0.184
"HMDB32228",2,1e+05,"11_1",249.1852,852.5,"Multiple",249.18491,1.16,"Dimethylbenzyl carbinyl hexanoate","C16H24O2","248.177630012","M+H","ISgroup_11_616_19",436734624.7,0.185
"HMDB32303",2,1e+05,"4_1",133.10439,1055.7,"Multiple",133.10455,1.2,"2-Heptanethiol","C7H16S","132.097271202","M+H","ISgroup_4_1152_11",7496614.4,0.104
"HMDB32304",2,1e+05,"4_1",133.10439,1055.7,"Multiple",133.10455,1.2,"Heptane-1-thiol","C7H16S","132.097271202","M+H","ISgroup_4_1152_11",7496614.4,0.104
"HMDB32589",2,1e+05,"5_1",221.11743,682.5,"Multiple",221.11722,0.95,"1-(5-Acetyl-2-hydroxyphenyl)-3-methyl-1-butanone","C13H16O3","220.109944378","M+H","ISgroup_5_834_12",25917290.4,0.117
"HMDB32591",2,1e+05,"2_1",193.08755,337.8,"Multiple",193.08592,8.44,"Dehydrozingerone","C11H12O3","192.07864425","M+H","ISgroup_2_183_9",372893005.3,0.088
"HMDB32635",3,259615384.615385,"10_1",192.13883,631.4,"Multiple",192.13829,2.81,"NN-Diethylbenzeneacetamide","C12H17NO","191.131014171","M+H","ISgroup_10_761_14",2287096450.4,0.139
"HMDB32635",3,259615384.615385,"10_1",193.14155,631,"Multiple",NA,NA,"NN-Diethylbenzeneacetamide","C12H17NO","-","M+H_[+1]","ISgroup_10_761_15",294220741.875,0.141549999999995
"HMDB32644",2,1e+05,"1_1",263.05644,698.4,"Unique",263.05501,5.44,"Maclurin","C13H10O6","262.047738052","M+H","ISgroup_1_916_6",401867290,0.056
"HMDB32648",0,0,"5_1",258.2431,848.4,"Multiple",258.24477,6.47,"Muridienin 1","C35H62O2","514.474981228","M+2H","ISgroup_5_1111_25",11873021.2,0.243
"HMDB32659",0,0,"5_1",117.02527,787.5,"Multiple",117.02586,5.04,"4-Hydroxy-8-methoxy-2H-furo23-h-1-benzopyran-2-one","C12H8O5","232.037173366","M+2H","ISgroup_5_999_3",399201,0.025
"HMDB32697",2,1e+05,"9_1",275.16451,1054.8,"Multiple",275.16417,1.24,"1b-Furanoeudesm-4(15)-en-1-ol acetate","C17H22O3","274.15689457","M+H","ISgroup_9_1621_17",10989430.9,0.165
"HMDB32735",2,1e+05,"10_1",381.29764,1081.7,"Multiple",381.29994,6.03,"Isopersin","C23H40O4","380.292659768","M+H","ISgroup_10_1602_30",129596362.2,0.298
"HMDB32837",2,1e+05,"2_1",469.32858,1054.5,"Multiple",469.33124,5.67,"Ganoderic acid DM","C30H44O4","468.323959896","M+H","ISgroup_2_1543_33",26603668.2,0.329
"HMDB32845",3,4764705.88235295,"10_1",284.12795,379.4,"Multiple",284.12812,0.6,"2-Methyl(3-phenylpropanoyl)aminobenzoic acid","C17H17NO3","283.120843415","M+H","ISgroup_10_279_13",215413053.4,0.128
"HMDB32850",0,0,"5_1",258.2431,848.4,"Multiple",258.24477,6.47,"Muricadienin","C35H62O2","514.474981228","M+2H","ISgroup_5_1111_25",11873021.2,0.243
"HMDB32854",3,259615384.615385,"10_1",192.13883,631.4,"Multiple",192.13829,2.81,"N-Acetyl-26-diethylaniline","C12H17NO","191.131014171","M+H","ISgroup_10_761_14",2287096450.4,0.139
"HMDB32854",3,259615384.615385,"10_1",193.14155,631,"Multiple",NA,NA,"N-Acetyl-26-diethylaniline","C12H17NO","-","M+H_[+1]","ISgroup_10_761_15",294220741.875,0.141549999999995
"HMDB32864",0,0,"2_1",192.09383,456.2,"Multiple",192.09428,2.34,"Mycotoxin T 2","C16H23NO7","341.147452095","M+ACN+2H","ISgroup_2_417_10",1799646308.7,0.094
"HMDB32875",2,1e+05,"2_1",447.34665,1134.2,"Multiple",447.34689,0.54,"359-Trihydroxyergost-7-en-6-one","C28H46O4","446.33960996","M+H","ISgroup_2_1698_35",54734995.6,0.347
"HMDB32883",2,1e+05,"5_1",177.05475,510,"Multiple",177.05462,0.73,"145-Naphthalenetriol","C10H8O3","176.047344122","M+H","ISgroup_5_516_6",40920417.9,0.055
"HMDB32903",0,0,"1_1",225.05975,704.7,"Multiple",225.05756,9.73,"1268-Tetrahydroxy-3-methylanthraquinone 2-O-b-D-glucoside","C21H20O11","448.100561482","M+2H","ISgroup_1_927_6",249431945.6,0.06
"HMDB32929",2,1e+05,"5_1",119.04993,587.9,"Multiple",119.04914,6.64,"Benzofuran","C8H6O","118.041864814","M+H","ISgroup_5_665_5",19537642.6,0.05
"HMDB32947",2,1e+05,"5_1",149.06002,865,"Multiple",149.05971,2.08,"Di-2-furanylmethane","C9H8O2","148.0524295","M+H","ISgroup_5_1139_7",19920948.4,0.06
"HMDB32981",0,0,"5_1",117.05712,670.4,"Unique",117.0573,1.54,"23-Diphenylpyrazine","C16H12N2","232.100048394","M+2H","ISgroup_5_811_6",1404635.2,0.057
"HMDB32990",2,1e+05,"5_1",177.05475,510,"Multiple",177.05462,0.73,"7-Hydroxy-6-methyl-2H-1-benzopyran-2-one","C10H8O3","176.047344122","M+H","ISgroup_5_516_6",40920417.9,0.055
"HMDB32991",2,1e+05,"10_1",191.06836,378.1,"Multiple",191.07027,10,"7-Methoxy-6-methyl-2H-1-benzopyran-2-one","C11H10O3","190.062994186","M+H","ISgroup_10_278_7",17287431.9,0.068
"HMDB32995",2,1e+05,"10_1",315.22154,714.8,"Unique",315.21928,7.17,"2-Undecyl-4(1H)-quinolinone N-oxide","C20H28NO2","314.212004145","M+H","ISgroup_10_919_23",24925540,0.222
"HMDB33041",2,1e+05,"10_1",223.0637,276.9,"Multiple",223.06434,2.87,"1-(1-Propenylthio)propyl propyl disulfide","C9H18S3","222.057062646","M+H","ISgroup_10_92_7",67620709.6,0.064
"HMDB33041",2,1e+05,"5_1",223.06401,720.3,"Multiple",223.06434,1.48,"1-(1-Propenylthio)propyl propyl disulfide","C9H18S3","222.057062646","M+H","ISgroup_5_900_7",2055421729,0.064
"HMDB33072",2,1e+05,"10_1",223.0637,276.9,"Multiple",223.06434,2.87,"(E)-1-Propenyl 1-(propylthio)propyl disulfide","C9H18S3","222.057062646","M+H","ISgroup_10_92_7",67620709.6,0.064
"HMDB33072",2,1e+05,"5_1",223.06401,720.3,"Multiple",223.06434,1.48,"(E)-1-Propenyl 1-(propylthio)propyl disulfide","C9H18S3","222.057062646","M+H","ISgroup_5_900_7",2055421729,0.064
"HMDB33073",2,1e+05,"10_1",239.05867,723.3,"Multiple",239.05925,2.43,"1-Propenyl 1-(propylsulfinyl)propyl disulfide","C9H18OS3","238.051977268","M+H","ISgroup_10_934_6",31576397.1,0.059
"HMDB33074",2,1e+05,"10_1",239.05867,723.3,"Multiple",239.05925,2.43,"1-(1-Propenylsulfinyl)propyl propyl disulfide","C9H18OS3","238.051977268","M+H","ISgroup_10_934_6",31576397.1,0.059
"HMDB33088",2,1e+05,"10_1",259.05787,490.2,"Multiple",259.0601,8.61,"()-2-(34-Dihydroxyphenyl)-13-benzodioxole-5-carboxaldehyde","C14H10O5","258.05282343","M+H","ISgroup_10_489_6",27085415.5,0.058
"HMDB33090",2,1e+05,"9_1",275.16451,1054.8,"Multiple",275.16417,1.24,"6-Dehydroshogaol","C17H22O3","274.15689457","M+H","ISgroup_9_1621_17",10989430.9,0.165
"HMDB33096",2,1e+05,"5_1",237.07776,620.1,"Multiple",237.07575,8.48,"Apional","C12H12O5","236.068473494","M+H","ISgroup_5_726_8",91657037.3,0.078
"HMDB33144",2,1e+05,"3_1",935.19442,1004,"Multiple",935.18766,7.23,"Sennoside E","C44H38O23","934.180387522","M+H","ISgroup_3_1317_20",18634124.7,0.194
"HMDB33163",2,1e+05,"5_1",187.05172,395.1,"Multiple",187.0502,8.13,"Pyrocoll","C10H6N2O2","186.042927446","M+H","ISgroup_5_294_6",1986176.6,0.052
"HMDB33187",2,1e+05,"5_1",179.08588,342.1,"Unique",179.08553,1.95,"212-Tetradecadiene-46810-tetrayne","C14H10","178.07825032","M+H","ISgroup_5_193_9",818452789.1,0.086
"HMDB33211",0,0,"2_1",189.07001,363.6,"Multiple",189.0708,4.18,"Avenanthramide 2","C18H17NO7","359.100501903","M+H+NH4","ISgroup_2_234_8",18616846.5,0.07
"HMDB33252",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"Curcumanolide A","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB33253",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"Curcumenone","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB33257",0,0,"11_1",241.70519,540.1,"Multiple",241.70327,7.94,"Myricolal","C30H48O2","440.36543078","M+ACN+2H","ISgroup_11_1_71",213924.9,0.705
"HMDB33281",0,0,"5_1",269.09928,641.8,"Multiple",269.10196,9.96,"8-Hydroxypinoresinol 8-glucoside","C26H32O12","536.189376488","M+2H","ISgroup_5_764_10",16271674.9,0.099
"HMDB33282",0,0,"5_1",269.09928,641.8,"Multiple",269.10196,9.96,"8-Hydroxypinoresinol 4-glucoside","C26H32O12","536.189376488","M+2H","ISgroup_5_764_10",16271674.9,0.099
"HMDB33296",0,0,"5_1",292.10444,490.6,"Multiple",292.10177,9.14,"Kuwanon Y","C34H30O9","582.188982558","M+2H","ISgroup_5_481_11",10380449.5,0.104
"HMDB33297",0,0,"10_1",298.08192,810.5,"Unique",298.08357,5.54,"Kuwanon Z","C34H26O10","594.152597052","M+2H","ISgroup_10_1081_9",41553704.5,0.082
"HMDB33303",2,1e+05,"5_1",205.08619,767.5,"Multiple",205.08592,1.32,"Anofinic acid","C12H12O3","204.07864425","M+H","ISgroup_5_967_9",20076081.9,0.086
"HMDB33398",0,0,"10_1",182.12916,310.8,"Multiple",182.13013,5.33,"Annoglabasin B","C22H34O4","362.245709576","M+2H","ISgroup_10_151_13",1647754714.9,0.129
"HMDB33427",0,0,"4_1",406.21133,685.4,"Unique",406.20917,5.32,"Betavulgaroside VII","C41H62O16","810.403785936","M+2H","ISgroup_4_425_22",114762995.9,0.211
"HMDB33431",2,1e+05,"5_1",351.1343,670,"Multiple",351.13393,1.05,"Moschamindole","C20H18N2O4","350.126657074","M+H","ISgroup_5_811_14",152774257.7,0.134
"HMDB33442",0,0,"5_1",195.093,511.6,"Multiple",195.09327,1.38,"Mytilin B","C14H23N2O8","347.145440722","M+ACN+2H","ISgroup_5_518_10",107533573.5,0.093
"HMDB33494",0,0,"1_1",310.20496,712.2,"Multiple",310.20757,8.41,"Tetronasin","C35H53O8","601.374043672","M+H+NH4","ISgroup_1_940_21",57198886.7,0.205
"HMDB33557",2,1e+05,"10_1",239.05867,723.3,"Multiple",239.05818,2.05,"()-6-Chlorotryptophan","C11H11ClN2O2","238.050905313","M+H","ISgroup_10_934_6",31576397.1,0.059
"HMDB33632",2,1e+05,"5_1",553.39054,1033.2,"Multiple",553.38875,3.23,"Furohyperforin","C35H52O5","552.381474774","M+H","ISgroup_5_1402_40",458396237.8,0.391
"HMDB33677",0,0,"10_1",182.12916,310.8,"Multiple",182.13013,5.33,"Lycopersiconolide","C22H34O4","362.245709576","M+2H","ISgroup_10_151_13",1647754714.9,0.129
"HMDB33682",0,0,"10_1",238.07819,594.8,"Multiple",238.07729,3.78,"Pelargonidin 3-galactoside","C21H21O10","433.113471892","M+ACN+2H","ISgroup_10_694_8",9538920.9,0.078
"HMDB33685",2,1e+05,"5_1",531.40854,1031.9,"Unique",531.4044,7.79,"alpha-Tocopherol succinate","C33H54O5","530.397124838","M+H","ISgroup_5_1402_41",3799322034.7,0.409
"HMDB33687",2,1e+05,"5_1",758.22397,1093.2,"Multiple",758.22639,3.19,"Pelargonidin 3-sophoroside 5-glucoside","C33H41O20","757.219118752","M+H","ISgroup_5_1502_23",1072974028.3,0.224
"HMDB33694",0,0,"10_1",238.07819,594.8,"Multiple",238.07595,9.41,"trans-Caffeic acid apiosyl-(1-6)-glucosyl ester","C20H26O13","474.137340918","M+2H","ISgroup_10_694_8",9538920.9,0.078
"HMDB33725",0,0,"5_1",615.17778,1024.2,"Unique",615.17511,4.34,"Cyanidin 3-O-4-Hydroxycinnamoyl-(-6)-4-hydroxy-35-dimethoxycinnamoyl-(-2)-b-D-glucopyranosyl-(1-2)-b-D-glucopyranoside 5-O-(6-O-malonyl-b-D-glucopyranoside)","C56H59O30","1211.309115548","M+H+NH4","ISgroup_5_1389_18",31936870.5,0.178
"HMDB33751",0,0,"1_1",225.05975,704.7,"Multiple",225.05756,9.73,"Quercitrin","C21H20O11","448.100561482","M+2H","ISgroup_1_927_6",249431945.6,0.06
"HMDB33795",0,0,"3_1",226.56334,1147,"Multiple",226.56301,1.46,"Quercetin 3-arabinoside","C20H18O11","434.084911418","M+H+NH4","ISgroup_3_1570_57",2480037,0.563
"HMDB33813",2,1e+05,"5_1",177.05475,510,"Multiple",177.05462,0.73,"3-(34-Methylenedioxyphenyl)propenal","C10H8O3","176.047344122","M+H","ISgroup_5_516_6",40920417.9,0.055
"HMDB33831",0,0,"6_1",149.02362,681.4,"Multiple",149.02332,2.01,"Medicagol","C16H8O6","296.032087988","M+2H","ISgroup_6_891_3",191010038.2,0.024
"HMDB33911",2,1e+05,"10_1",259.05787,490.2,"Multiple",259.0601,8.61,"568-Trihydroxy-2-methylbenzogchromen-4-one","C14H10O5","258.05282343","M+H","ISgroup_10_489_6",27085415.5,0.058
"HMDB33960",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"Curcumenol","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB34014",0,0,"5_1",152.54526,1046.3,"Multiple",152.54442,5.51,"2-Hydroxygenistein","C15H10O6","286.047738052","M+H+NH4","ISgroup_5_1417_55",6847597,0.545
"HMDB34118",2,1e+05,"5_1",229.08627,738.6,"Multiple",229.08592,1.53,"(Z)-Resveratrol","C14H12O3","228.07864425","M+H","ISgroup_5_921_9",258002946.6,0.086
"HMDB34150",0,0,"5_1",152.54526,1046.3,"Multiple",152.54442,5.51,"Cernuine","C15H10O6","286.047738052","M+H+NH4","ISgroup_5_1417_55",6847597,0.545
"HMDB34177",2,1e+05,"2_1",177.12778,722.3,"Multiple",177.12739,2.2,"(S)-4-(4-Methylphenyl)-2-pentanone","C12H16O","176.120115134","M+H","ISgroup_2_927_13",46516054.5,0.128
"HMDB34209",2,1e+05,"1_1",233.03902,412,"Unique",233.03792,4.72,"Cyclobrassinone","C11H8N2O2S","232.0306482","M+H","ISgroup_1_349_4",7500729.2,0.039
"HMDB34236",2,1e+05,"10_1",132.08104,711.5,"Multiple",132.08078,1.97,"Benzenepropanenitrile","C9H9N","131.073499293","M+H","ISgroup_10_915_9",12082032.1,0.081
"HMDB34257",2,1e+05,"5_1",229.08627,738.6,"Multiple",229.08592,1.53,"Seselin","C14H12O3","228.07864425","M+H","ISgroup_5_921_9",258002946.6,0.086
"HMDB34268",2,1e+05,"11_1",555.17623,926.4,"Unique",555.17083,9.73,"Lippioside II","C25H30O14","554.163555668","M+H","ISgroup_11_757_18",14325424.3,0.176
"HMDB34270",2,1e+05,"5_1",229.08627,738.6,"Multiple",229.08592,1.53,"56-Dihydro-5-hydroxy-6-methyl-2H-pyran-2-one","C14H12O3","228.07864425","M+H","ISgroup_5_921_9",258002946.6,0.086
"HMDB34311",2,1e+05,"3_1",935.19442,1004,"Multiple",935.18766,7.23,"Sennoside F","C44H38O23","934.180387522","M+H","ISgroup_3_1317_20",18634124.7,0.194
"HMDB34324",2,1e+05,"10_1",164.07278,417.3,"Multiple",164.07398,7.31,"S-Propyl-L-cysteine","C6H13NO2S","163.066699355","M+H","ISgroup_10_349_8",74844957.9,0.073
"HMDB34349",2,1e+05,"5_1",441.29803,1007.1,"Multiple",441.29994,4.33,"Suillin","C28H40O4","440.292659768","M+H","ISgroup_5_1369_30",652595531.3,0.298
"HMDB34365",2,1e+05,"5_1",175.10605,667.3,"Multiple",175.10772,9.54,"L-Theanine","C7H14N2O3","174.100442324","M+H","ISgroup_5_809_11",12060923.8,0.106
"HMDB34367",2,1e+05,"5_1",279.10186,972.6,"Unique",279.10092,3.37,"N-gamma-L-Glutamyl-L-methionine","C10H18N2O5S","278.093642386","M+H","ISgroup_5_1327_11",3384490860.2,0.102
"HMDB34385",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"Glycerol 1-(9Z-octadecenoate) 2-hexadecanoate 3-octadecanoate","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB34444",0,0,"5_1",152.54526,1046.3,"Multiple",152.54442,5.51,"Citreorosein","C15H10O6","286.047738052","M+H+NH4","ISgroup_5_1417_55",6847597,0.545
"HMDB34506",0,0,"11_1",241.70519,540.1,"Multiple",241.70327,7.94,"Soyasapogenol C","C30H48O2","440.36543078","M+ACN+2H","ISgroup_11_1_71",213924.9,0.705
"HMDB34511",0,0,"11_1",241.70519,540.1,"Multiple",241.70327,7.94,"Oleanolic aldehyde","C30H48O2","440.36543078","M+ACN+2H","ISgroup_11_1_71",213924.9,0.705
"HMDB34515",2,1e+05,"2_1",469.32858,1054.5,"Multiple",469.33124,5.67,"Glabrolide","C30H44O4","468.323959896","M+H","ISgroup_2_1543_33",26603668.2,0.329
"HMDB34538",2,1e+05,"1_1",735.4712,667,"Unique",735.46779,4.64,"Mubenin B","C41H66O11","734.460512954","M+H","ISgroup_1_855_48",18549195.6,0.471
"HMDB34539",0,0,"1_1",310.20496,712.2,"Multiple",310.2033,5.35,"3-O-cis-Coumaroylmaslinic acid","C39H54O6","618.39203946","M+2H","ISgroup_1_940_21",57198886.7,0.205
"HMDB34557",2,1e+05,"4_1",247.22707,841.2,"Unique",247.22677,1.21,"88-Diethoxy-26-dimethyl-2-octanol","C14H30O3","246.219494826","M+H","ISgroup_4_729_23",10647046.7,0.227
"HMDB34562",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"9-Pentadecene-1214-diyne-111-diol","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB34570",0,0,"5_1",300.60092,727.3,"Unique",300.59978,3.79,"Norrubrofusarin 6-beta-gentiobioside","C26H30O15","582.15847029","M+H+NH4","ISgroup_5_907_61",160810.4,0.601
"HMDB34669",3,4764705.88235295,"10_1",284.12795,379.4,"Multiple",284.12812,0.6,"Anaxagoreine","C17H17NO3","283.120843415","M+H","ISgroup_10_279_13",215413053.4,0.128
"HMDB34672",2,1e+05,"2_1",209.15471,781.5,"Multiple",209.15361,5.26,"(5alpha8beta9beta)-59-Epoxy-36-megastigmadien-8-ol","C13H20O2","208.146329884","M+H","ISgroup_2_1034_16",36214625.7,0.155
"HMDB34686",2,1e+05,"5_1",337.23515,858.6,"Multiple",337.23734,6.49,"(14S)-1415-Dihydroxy-8(17)13(16)-labdadien-19-oic acid","C20H32O4","336.230059512","M+H","ISgroup_5_1129_24",29401790.1,0.235
"HMDB34695",0,0,"9_1",259.15993,787,"Multiple",259.16163,6.56,"Cucurbitacin D","C30H44O7","516.308703762","M+2H","ISgroup_9_1091_16",20183515.4,0.16
"HMDB34700",0,0,"8_1",263.57242,1209.6,"Multiple",263.57083,6.03,"1248-Tetraacetoxy-7-hydroxy-3-(4-hydroxyphenyl)dibenzofuran","C26H20O11","508.100561482","M+H+NH4","ISgroup_8_174_58",1021211.1,0.572
"HMDB34701",0,0,"8_1",263.57242,1209.6,"Multiple",263.57083,6.03,"1247-Tetraacetoxy-8-hydroxy-3-(4-hydroxyphenyl)dibenzofuran","C26H20O11","508.100561482","M+H+NH4","ISgroup_8_174_58",1021211.1,0.572
"HMDB34731",0,0,"5_1",229.1947,731.3,"Unique",229.19307,7.11,"Tomatidine","C27H45NO2","415.345029689","M+ACN+2H","ISgroup_5_912_20",16946374.7,0.195
"HMDB34742",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"Saussurea lactone","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB34883",2,1e+05,"5_1",126.09246,535.1,"Multiple",126.09134,8.88,"34-Dihydro-5-propanoyl-2H-pyrrole","C7H11NO","125.084063979","M+H","ISgroup_5_562_10",12570179.4,0.092
"HMDB34931",0,0,"9_1",259.15993,787,"Multiple",259.16163,6.56,"Ganoderic acid A","C30H44O7","516.308703762","M+2H","ISgroup_9_1091_16",20183515.4,0.16
"HMDB34956",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"Oxysolavetivone","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB34967",0,0,"7_1",304.24839,1024.6,"Multiple",304.25025,6.11,"cis-Reticulatacin-10-one","C37H66O6","606.485939844","M+2H","ISgroup_7_1515_25",47831632.7,0.248
"HMDB34984",2,1e+05,"2_1",209.15471,781.5,"Multiple",209.15361,5.26,"(5R6S)-56-Epoxy-7-megastigmen-9-one","C13H20O2","208.146329884","M+H","ISgroup_2_1034_16",36214625.7,0.155
"HMDB35072",2,1e+05,"7_1",194.11787,331.7,"Multiple",194.11755,1.65,"2-Methylpropyl 2-aminobenzoate","C11H15NO2","193.110278729","M+H","ISgroup_7_139_12",208820429.9,0.118
"HMDB35095",2,1e+05,"5_1",205.08619,767.5,"Multiple",205.08592,1.32,"7-Ethoxy-4-methyl-2H-1-benzopyran-2-one","C12H12O3","204.07864425","M+H","ISgroup_5_967_9",20076081.9,0.086
"HMDB35167",0,0,"5_1",272.12308,729,"Unique",272.12544,8.67,"Cinncassiol C1 19-glucoside","C26H38O12","542.23632668","M+2H","ISgroup_5_909_13",88861367,0.123
"HMDB35191",2,1e+05,"7_1",273.12589,733.9,"Multiple",273.12337,9.23,"(2S4R)-4-(9H-Pyrido34-bindol-1-yl)-124-butanetriol","C15H16N2O3","272.116092388","M+H","ISgroup_7_942_13",9716873.9,0.126
"HMDB35202",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"7-Hydroxycostal","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB35207",2,1e+05,"2_1",161.09644,707.9,"Multiple",161.09609,2.17,"2-Phenyl-4-pentenal","C11H12O","160.088815006","M+H","ISgroup_2_900_10",91105070.5,0.096
"HMDB35217",0,0,"5_1",292.10444,490.6,"Multiple",292.1047,0.89,"10-Acetoxyligustroside","C27H34O14","582.194855796","M+2H","ISgroup_5_481_11",10380449.5,0.104
"HMDB35228",2,1e+05,"2_1",209.15471,781.5,"Multiple",209.15361,5.26,"Theaspirone A","C13H20O2","208.146329884","M+H","ISgroup_2_1034_16",36214625.7,0.155
"HMDB35237",2,1e+05,"5_1",553.39054,1033.2,"Multiple",553.38875,3.23,"8-Hydroxyhyperforin 81-hemiacetal","C35H52O5","552.381474774","M+H","ISgroup_5_1402_40",458396237.8,0.391
"HMDB35243",2,1e+05,"5_1",149.06002,865,"Multiple",149.05971,2.08,"1-Phenyl-12-propanedione","C9H8O2","148.0524295","M+H","ISgroup_5_1139_7",19920948.4,0.06
"HMDB35264",0,0,"10_1",328.2167,671.4,"Unique",328.21948,8.47,"Avenestergenin A1","C38H55NO7","637.397853119","M+H+NH4","ISgroup_10_839_22",37655305.5,0.217
"HMDB35275",2,1e+05,"2_1",193.08755,337.8,"Multiple",193.08592,8.44,"Isomyristicin","C11H12O3","192.07864425","M+H","ISgroup_2_183_9",372893005.3,0.088
"HMDB35314",0,0,"11_1",241.70519,540.1,"Multiple",241.70327,7.94,"Ganoderol B","C30H48O2","440.36543078","M+ACN+2H","ISgroup_11_1_71",213924.9,0.705
"HMDB35323",0,0,"2_1",334.11633,775.4,"Multiple",334.11821,5.63,"Fagopyritol B3","C24H42O21","666.221858406","M+2H","ISgroup_2_1024_12",9748008,0.116
"HMDB35355",0,0,"11_1",241.70519,540.1,"Multiple",241.70327,7.94,"3beta-3-Hydroxy-18-lupen-21-one","C30H48O2","440.36543078","M+ACN+2H","ISgroup_11_1_71",213924.9,0.705
"HMDB35374",2,1e+05,"5_1",553.39054,1033.2,"Multiple",553.38875,3.23,"Oxepahyperforin","C35H52O5","552.381474774","M+H","ISgroup_5_1402_40",458396237.8,0.391
"HMDB35380",0,0,"5_1",178.12612,508.6,"Multiple",178.12759,8.25,"Sterebin G","C20H34O5","354.240624198","M+2H","ISgroup_5_514_13",29081289.6,0.126
"HMDB35381",0,0,"9_1",258.15312,737.3,"Multiple",258.1538,2.63,"Ganoderenic acid A","C30H42O7","514.293053698","M+2H","ISgroup_9_997_16",141807700.5,0.153
"HMDB35382",0,0,"9_1",259.15993,787,"Multiple",259.16163,6.56,"Ganoderenic acid C","C30H44O7","516.308703762","M+2H","ISgroup_9_1091_16",20183515.4,0.16
"HMDB35404",2,1e+05,"5_1",387.18108,688,"Multiple",387.18021,2.25,"Isogingerenone B","C22H26O6","386.172938564","M+H","ISgroup_5_844_19",2324363950,0.181
"HMDB35405",2,1e+05,"5_1",387.18108,688,"Multiple",387.18021,2.25,"Gingerenone B","C22H26O6","386.172938564","M+H","ISgroup_5_844_19",2324363950,0.181
"HMDB35407",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"Dehydrocurdione","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB35408",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"110-Epoxygermacrone","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB35413",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"(4alpha5alpha)-11-Eremophilene-29-dione","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB35434",2,1e+05,"2_1",469.32858,1054.5,"Multiple",469.33124,5.67,"Isomasticadienonalic acid","C30H44O4","468.323959896","M+H","ISgroup_2_1543_33",26603668.2,0.329
"HMDB35471",2,1e+05,"5_1",698.66134,984.9,"Unique",698.6657,6.24,"N-(2R-Hydroxypentacosanoyl)-2S-amino-13S4R-octadecanetriol","C43H87NO5","697.658424899","M+H","ISgroup_5_1343_67",15161115.9,0.661
"HMDB35475",0,0,"10_1",285.12154,379.3,"Unique",285.12069,2.98,"Simmondsin 2-ferulate","C26H33NO12","551.200275525","M+H+NH4","ISgroup_10_279_13",1007333834.9,0.122
"HMDB35516",2,1e+05,"2_1",360.32454,986.1,"Unique",360.32609,4.3,"5-Decanoyl-2-nonylpyridine","C24H41NO","359.318814939","M+H","ISgroup_2_1428_33",426151315.9,0.325
"HMDB35588",0,0,"1_1",225.05975,704.7,"Multiple",225.05756,9.73,"Luteolin 7-glucoside","C21H20O11","448.100561482","M+2H","ISgroup_1_927_6",249431945.6,0.06
"HMDB35627",0,0,"9_1",258.15312,737.3,"Multiple",258.1538,2.63,"Ganoderic acid C1","C30H42O7","514.293053698","M+2H","ISgroup_9_997_16",141807700.5,0.153
"HMDB35639",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"Petasalbin","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB35686",0,0,"10_1",210.16811,625.6,"Multiple",210.16906,4.52,"beta-Citraurinene","C30H42O","418.323565966","M+2H","ISgroup_10_754_17",2803943740.4,0.168
"HMDB35709",0,0,"9_1",258.15312,737.3,"Multiple",258.1538,2.63,"Ganoderenic acid B","C30H42O7","514.293053698","M+2H","ISgroup_9_997_16",141807700.5,0.153
"HMDB35719",0,0,"9_1",259.15993,787,"Multiple",259.16163,6.56,"Ganoderic acid B","C30H44O7","516.308703762","M+2H","ISgroup_9_1091_16",20183515.4,0.16
"HMDB35794",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"beta-Costic acid","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB35867",0,0,"10_1",214.10222,762.1,"Multiple",214.10177,2.1,"1113-Dihydrotaraxinic acid glucosyl ester","C21H30O9","426.188982558","M+2H","ISgroup_10_997_11",180527219.8,0.102
"HMDB35869",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"alpha-Rotunol","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB35873",2,1e+05,"2_1",193.08755,337.8,"Multiple",193.08592,8.44,"Myristicin","C11H12O3","192.07864425","M+H","ISgroup_2_183_9",372893005.3,0.088
"HMDB35886",2,1e+05,"2_1",469.32858,1054.5,"Multiple",469.33124,5.67,"Isoglabrolide","C30H44O4","468.323959896","M+H","ISgroup_2_1543_33",26603668.2,0.329
"HMDB35888",0,0,"10_1",227.17367,553.1,"Multiple",227.1718,8.23,"Tyromycic acid","C30H44O3","452.329045274","M+2H","ISgroup_10_613_18",82400572.4,0.174
"HMDB35889",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"Germacrone 45-epoxide","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB35894",2,1e+05,"2_1",193.08755,337.8,"Multiple",193.08592,8.44,"(Z)-4-Methoxy-6-(1-propenyl)-13-benzodioxole","C11H12O3","192.07864425","M+H","ISgroup_2_183_9",372893005.3,0.088
"HMDB35935",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"Dihydroisoalantolactone","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB35956",0,0,"5_1",246.24313,644.9,"Unique",246.24477,6.66,"Lumequoylacetone","C33H62O2","490.474981228","M+2H","ISgroup_5_769_25",21448359,0.243
"HMDB36021",2,1e+05,"2_1",177.12778,722.3,"Multiple",177.12739,2.2,"Rhubafuran","C12H16O","176.120115134","M+H","ISgroup_2_927_13",46516054.5,0.128
"HMDB36035",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"Marasmene","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB36074",2,1e+05,"5_1",198.11108,524.4,"Multiple",198.11247,7.02,"Tenuazonic acid","C10H15NO3","197.105193351","M+H","ISgroup_5_543_12",7900657.4,0.111
"HMDB36171",2,1e+05,"2_1",177.12778,722.3,"Multiple",177.12739,2.2,"3-(4-Isopropylphenyl)propanal","C12H16O","176.120115134","M+H","ISgroup_2_927_13",46516054.5,0.128
"HMDB36221",2,1e+05,"11_1",249.1852,852.5,"Multiple",249.18491,1.16,"2-(Dimethoxymethyl)-1-heptenylbenzene","C16H24O2","248.177630012","M+H","ISgroup_11_616_19",436734624.7,0.185
"HMDB36299",0,0,"1_1",310.20496,712.2,"Multiple",310.2033,5.35,"3-O-p-trans-Coumaroylalphitolic acid","C39H54O6","618.39203946","M+2H","ISgroup_1_940_21",57198886.7,0.205
"HMDB36306",0,0,"9_1",259.15993,787,"Multiple",259.16163,6.56,"Ganoderic acid delta","C30H44O7","516.308703762","M+2H","ISgroup_9_1091_16",20183515.4,0.16
"HMDB36307",0,0,"9_1",259.15993,787,"Multiple",259.16163,6.56,"Ganoderic acid epsilon","C30H44O7","516.308703762","M+2H","ISgroup_9_1091_16",20183515.4,0.16
"HMDB36308",0,0,"9_1",258.15312,737.3,"Multiple",258.1538,2.63,"Ganoderic acid xi","C30H42O7","514.293053698","M+2H","ISgroup_9_997_16",141807700.5,0.153
"HMDB36315",0,0,"10_1",182.12916,310.8,"Multiple",182.13013,5.33,"Dimethyl ent-16alpha-kaurane-1719-dioate","C22H34O4","362.245709576","M+2H","ISgroup_10_151_13",1647754714.9,0.129
"HMDB36328",0,0,"10_1",168.12141,625.7,"Multiple",168.1201,7.79,"Nordihydrocapsaicin","C17H27NO3","293.199093735","M+ACN+2H","ISgroup_10_754_13",9598023.1,0.121
"HMDB36370",2,1e+05,"10_1",239.05867,723.3,"Multiple",239.05925,2.43,"1-(2-Propenylsulfinyl)propyl propyl disulfide","C9H18OS3","238.051977268","M+H","ISgroup_10_934_6",31576397.1,0.059
"HMDB36375",2,1e+05,"10_1",239.05867,723.3,"Multiple",239.05925,2.43,"2-Propenyl 1-(propylsulfinyl)propyl disulfide","C9H18OS3","238.051977268","M+H","ISgroup_10_934_6",31576397.1,0.059
"HMDB36377",0,0,"5_1",212.56438,1028.1,"Unique",212.56555,5.5,"7-Hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-carboxylic acid 7-glucoside","C17H18O10","382.089996796","M+ACN+2H","ISgroup_5_1395_57",2113154.6,0.564
"HMDB36380",2,1e+05,"5_1",159.06547,365.9,"Multiple",159.06518,1.82,"xi-23-Dihydro-35-dihydroxy-6-methyl-4H-pyran-4-one","C7H10O4","158.057908808","M+H","ISgroup_5_238_7",22151998.4,0.065
"HMDB36390",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"3-Phenylpropyl hexanoate","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB36392",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"(Z)-alpha-Bergamotenoic acid","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB36403",0,0,"9_1",258.15312,737.3,"Multiple",258.1538,2.63,"Ganosporelactone B","C30H42O7","514.293053698","M+2H","ISgroup_9_997_16",141807700.5,0.153
"HMDB36427",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"Procurcumenol","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB36449",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"(1alpha4beta5beta)-4-Hydroxy-7(11)10(14)-guaiadien-8-one","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB36466",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"Zerumbone oxide","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB36600",0,0,"11_1",234.11762,738.5,"Multiple",234.11742,0.85,"T2 Toxin","C24H34O9","466.220282686","M+2H","ISgroup_11_392_12",673591366.4,0.118
"HMDB36626",2,1e+05,"5_1",149.06002,865,"Multiple",149.05971,2.08,"34-Dihydro-2H-1-benzopyran-2-one","C9H8O2","148.0524295","M+H","ISgroup_5_1139_7",19920948.4,0.06
"HMDB36628",0,0,"5_1",117.02527,787.5,"Multiple",117.02586,5.04,"9-Hydroxy-4-methoxypsoralen","C12H8O5","232.037173366","M+2H","ISgroup_5_999_3",399201,0.025
"HMDB36640",2,1e+05,"11_1",249.1852,852.5,"Multiple",249.18491,1.16,"Furanofukinin","C16H24O2","248.177630012","M+H","ISgroup_11_616_19",436734624.7,0.185
"HMDB36647",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"Isocurcumenol","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB36686",2,1e+05,"2_1",209.15471,781.5,"Multiple",209.15361,5.26,"2267-Tetramethylbicyclo430nona-1(9)4-diene-78-diol","C13H20O2","208.146329884","M+H","ISgroup_2_1034_16",36214625.7,0.155
"HMDB36704",0,0,"10_1",182.12916,310.8,"Multiple",182.13013,5.33,"Epoxysiderol","C22H34O4","362.245709576","M+2H","ISgroup_10_151_13",1647754714.9,0.129
"HMDB36749",2,1e+05,"10_1",331.1891,968.5,"Multiple",331.19039,3.9,"Momilactone B","C20H26O4","330.18310932","M+H","ISgroup_10_1389_19",15100576.7,0.189
"HMDB36753",2,1e+05,"10_1",331.1891,968.5,"Multiple",331.19039,3.9,"Yucalexin P15","C20H26O4","330.18310932","M+H","ISgroup_10_1389_19",15100576.7,0.189
"HMDB36755",2,1e+05,"10_1",331.1891,968.5,"Multiple",331.19039,3.9,"Yucalexin P8","C20H26O4","330.18310932","M+H","ISgroup_10_1389_19",15100576.7,0.189
"HMDB36774",0,0,"11_1",241.70519,540.1,"Multiple",241.70327,7.94,"Sebiferic acid","C30H48O2","440.36543078","M+ACN+2H","ISgroup_11_1_71",213924.9,0.705
"HMDB36800",0,0,"11_1",241.70519,540.1,"Multiple",241.70327,7.94,"3beta-Hydroxy-22(30)-hopen-29-al","C30H48O2","440.36543078","M+ACN+2H","ISgroup_11_1_71",213924.9,0.705
"HMDB36821",2,1e+05,"2_1",209.15471,781.5,"Multiple",209.15361,5.26,"3-Hydroxy-beta-ionone","C13H20O2","208.146329884","M+H","ISgroup_2_1034_16",36214625.7,0.155
"HMDB36824",2,1e+05,"2_1",209.15471,781.5,"Multiple",209.15361,5.26,"Acetal R","C13H20O2","208.146329884","M+H","ISgroup_2_1034_16",36214625.7,0.155
"HMDB36850",0,0,"2_1",228.16332,541.7,"Multiple",228.16143,8.28,"Ceanothenic acid","C29H42O4","454.308309832","M+2H","ISgroup_2_586_17",192033031.5,0.163
"HMDB36906",2,1e+05,"7_1",194.11787,331.7,"Multiple",194.11755,1.65,"Butyl 2-aminobenzoate","C11H15NO2","193.110278729","M+H","ISgroup_7_139_12",208820429.9,0.118
"HMDB37033",0,0,"11_1",241.70519,540.1,"Multiple",241.70327,7.94,"28-Hydroxy-14-taraxeren-3-one","C30H48O2","440.36543078","M+ACN+2H","ISgroup_11_1_71",213924.9,0.705
"HMDB37038",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"Cyclodehydroisolubimin","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB37039",2,1e+05,"4_1",415.2127,886.3,"Multiple",415.21151,2.87,"4-O-Methylmelleolide","C24H30O6","414.204238692","M+H","ISgroup_4_816_22",36435465.6,0.213
"HMDB37058",0,0,"10_1",199.05333,349.7,"Unique",199.05382,2.46,"Thiazopyr","C16H17F5N2O2S","396.093089513","M+2H","ISgroup_10_226_6",10644325.3,0.053
"HMDB37065",0,0,"10_1",227.17367,553.1,"Multiple",227.1718,8.23,"3-Oxo-1218-ursadien-28-oic acid","C30H44O3","452.329045274","M+2H","ISgroup_10_613_18",82400572.4,0.174
"HMDB37117",0,0,"7_1",304.24839,1024.6,"Multiple",304.25025,6.11,"Neoannonin B","C37H66O6","606.485939844","M+2H","ISgroup_7_1515_25",47831632.7,0.248
"HMDB37245",2,1e+05,"5_1",301.14093,805.9,"Multiple",301.14344,8.33,"Myrigalone A","C18H20O4","300.136159128","M+H","ISgroup_5_1033_15",17101225.4,0.141
"HMDB37246",2,1e+05,"5_1",301.14093,805.9,"Multiple",301.14344,8.33,"Myrigalon B","C18H20O4","300.136159128","M+H","ISgroup_5_1033_15",17101225.4,0.141
"HMDB37277",2,1e+05,"2_1",193.08755,337.8,"Multiple",193.08592,8.44,"Isoeugenol formate","C11H12O3","192.07864425","M+H","ISgroup_2_183_9",372893005.3,0.088
"HMDB37286",2,1e+05,"10_1",211.17037,625.7,"Multiple",211.16926,5.26,"Citral propylene glycol acetal","C13H22O2","210.161979948","M+H","ISgroup_10_754_18",362431364.1,0.17
"HMDB37307",2,1e+05,"10_1",211.17037,625.7,"Multiple",211.16926,5.26,"Propyl 24-decadienoate","C13H22O2","210.161979948","M+H","ISgroup_10_754_18",362431364.1,0.17
"HMDB37359",0,0,"1_1",225.05975,704.7,"Multiple",225.05756,9.73,"Azaleatin 3-arabinoside","C21H20O11","448.100561482","M+2H","ISgroup_1_927_6",249431945.6,0.06
"HMDB37377",0,0,"1_1",225.05975,704.7,"Multiple",225.05756,9.73,"Carthamone","C21H20O11","448.100561482","M+2H","ISgroup_1_927_6",249431945.6,0.06
"HMDB37382",0,0,"2_1",214.18037,602.2,"Multiple",214.18217,8.4,"(3beta23E)-3-Hydroxy-27-norcycloart-23-en-25-one","C29H46O2","426.349780716","M+2H","ISgroup_2_704_19",8812837.3,0.18
"HMDB37390",2,1e+05,"10_1",211.17037,625.7,"Multiple",211.16926,5.26,"Tsibulin 1","C13H22O2","210.161979948","M+H","ISgroup_10_754_18",362431364.1,0.17
"HMDB37391",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"p-Hydroxynonanophenone","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB37429",0,0,"1_1",225.05975,704.7,"Multiple",225.05756,9.73,"Astragalin","C21H20O11","448.100561482","M+2H","ISgroup_1_927_6",249431945.6,0.06
"HMDB37492",2,1e+05,"5_1",221.11743,682.5,"Multiple",221.11722,0.95,"Ethyl methyl-p-tolylglycidate","C13H16O3","220.109944378","M+H","ISgroup_5_834_12",25917290.4,0.117
"HMDB37572",0,0,"1_1",225.05975,704.7,"Multiple",225.05756,9.73,"Kaempferol 5-glucoside","C21H20O11","448.100561482","M+2H","ISgroup_1_927_6",249431945.6,0.06
"HMDB37594",2,1e+05,"5_1",266.11785,373.7,"Multiple",266.11755,1.13,"Eduleine","C17H15NO2","265.110278729","M+H","ISgroup_5_253_12",9633310.5,0.118
"HMDB37595",0,0,"3_1",226.56334,1147,"Multiple",226.56301,1.46,"6-Hydroxyluteolin 6-xyloside","C20H18O11","434.084911418","M+H+NH4","ISgroup_3_1570_57",2480037,0.563
"HMDB37640",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"2-Methyl-4-phenyl-2-butyl 2-methylpropanoate","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB37667",2,1e+05,"5_1",229.08627,738.6,"Multiple",229.08592,1.53,"o-Tolyl salicylate","C14H12O3","228.07864425","M+H","ISgroup_5_921_9",258002946.6,0.086
"HMDB37671",0,0,"6_1",721.16377,1024.1,"Unique",721.16575,2.75,"Pavetannin D1","C75H60O30","1440.31694058","M+2H","ISgroup_6_1571_17",23706497.1,0.164
"HMDB37683",2,1e+05,"4_1",237.11298,774.2,"Multiple",237.11213,3.58,"Ethyl vanillin isobutyrate","C13H16O4","236.104859","M+H","ISgroup_4_598_12",68390529.9,0.113
"HMDB37698",2,1e+05,"7_1",194.11787,331.7,"Multiple",194.11755,1.65,"Ethyl N-ethylanthranilate","C11H15NO2","193.110278729","M+H","ISgroup_7_139_12",208820429.9,0.118
"HMDB37710",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"4-Methylphenyl octanoate","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB37713",2,1e+05,"11_1",249.1852,852.5,"Multiple",249.18491,1.16,"Octyl phenylacetate","C16H24O2","248.177630012","M+H","ISgroup_11_616_19",436734624.7,0.185
"HMDB37719",2,1e+05,"11_1",249.1852,852.5,"Multiple",249.18491,1.16,"2-Phenylethyl octanoate","C16H24O2","248.177630012","M+H","ISgroup_11_616_19",436734624.7,0.185
"HMDB37739",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"7-(13-Cyclohexadienyl)-5-hydroxy-26-dimethyl-2-hepten-4-one","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB37776",2,1e+05,"2_1",209.15471,781.5,"Multiple",209.15361,5.26,"59:69-Diepoxy-3-megastigmene","C13H20O2","208.146329884","M+H","ISgroup_2_1034_16",36214625.7,0.155
"HMDB37798",2,1e+05,"9_1",289.23681,766.9,"Unique",289.23734,1.83,"(S)-1016-Dihydroxyhexadecanoic acid","C16H32O4","288.230059512","M+H","ISgroup_9_1053_24",5956196.2,0.237
"HMDB37843",2,1e+05,"10_1",282.11937,380.4,"Multiple",282.11834,3.65,"N-(1-Deoxy-1-fructosyl)threonine","C10H19NO8","281.111066589","M+H","ISgroup_10_279_12",42054546.4,0.119
"HMDB37847",0,0,"2_1",191.08479,700.9,"Multiple",191.08645,8.69,"N-(1-Deoxy-1-fructosyl)tryptophan","C18H24N2O7","380.158351132","M+2H","ISgroup_2_888_9",58144143,0.085
"HMDB37853",2,1e+05,"5_1",126.09246,535.1,"Multiple",126.09134,8.88,"2-Methyl-4-propyloxazole","C7H11NO","125.084063979","M+H","ISgroup_5_562_10",12570179.4,0.092
"HMDB37854",2,1e+05,"5_1",126.09246,535.1,"Multiple",126.09134,8.88,"4-Methyl-2-propyloxazole","C7H11NO","125.084063979","M+H","ISgroup_5_562_10",12570179.4,0.092
"HMDB37860",2,1e+05,"5_1",126.09246,535.1,"Multiple",126.09134,8.88,"2-Methyl-5-propyloxazole","C7H11NO","125.084063979","M+H","ISgroup_5_562_10",12570179.4,0.092
"HMDB37861",2,1e+05,"5_1",126.09246,535.1,"Multiple",126.09134,8.88,"5-Methyl-2-propyloxazole","C7H11NO","125.084063979","M+H","ISgroup_5_562_10",12570179.4,0.092
"HMDB37865",2,1e+05,"5_1",126.09246,535.1,"Multiple",126.09134,8.88,"2-Ethyl-45-dimethyloxazole","C7H11NO","125.084063979","M+H","ISgroup_5_562_10",12570179.4,0.092
"HMDB37866",2,1e+05,"5_1",126.09246,535.1,"Multiple",126.09134,8.88,"4-Ethyl-25-dimethyloxazole","C7H11NO","125.084063979","M+H","ISgroup_5_562_10",12570179.4,0.092
"HMDB37867",2,1e+05,"5_1",126.09246,535.1,"Multiple",126.09134,8.88,"5-Ethyl-24-dimethyloxazole","C7H11NO","125.084063979","M+H","ISgroup_5_562_10",12570179.4,0.092
"HMDB37877",2,1e+05,"2_1",193.08755,337.8,"Multiple",193.08592,8.44,"Eugenyl formate","C11H12O3","192.07864425","M+H","ISgroup_2_183_9",372893005.3,0.088
"HMDB37927",0,0,"3_1",226.56334,1147,"Multiple",226.56301,1.46,"Quercetin 7-xyloside","C20H18O11","434.084911418","M+H+NH4","ISgroup_3_1570_57",2480037,0.563
"HMDB37975",0,0,"10_1",238.07819,594.8,"Multiple",238.07729,3.78,"Cyanidin 3-rhamnoside","C21H21O10","433.113471892","M+ACN+2H","ISgroup_10_694_8",9538920.9,0.078
"HMDB37988",2,1e+05,"5_1",758.22397,1093.2,"Multiple",758.22639,3.19,"Cyanidin 3-(2G-glucosylrutinoside)","C33H41O20","757.219118752","M+H","ISgroup_5_1502_23",1072974028.3,0.224
"HMDB38047",2,1e+05,"2_1",209.15471,781.5,"Multiple",209.15361,5.26,"Carvyl propionate","C13H20O2","208.146329884","M+H","ISgroup_2_1034_16",36214625.7,0.155
"HMDB38063",0,0,"2_1",214.18037,602.2,"Multiple",214.18217,8.4,"Stigmast-4-ene-36-dione","C29H46O2","426.349780716","M+2H","ISgroup_2_704_19",8812837.3,0.18
"HMDB38089",0,0,"10_1",238.07819,594.8,"Multiple",238.07729,3.78,"Peonidin 3-arabinoside","C21H21O10","433.113471892","M+ACN+2H","ISgroup_10_694_8",9538920.9,0.078
"HMDB38090",2,1e+05,"3_1",610.18587,1046,"Multiple",610.18922,5.49,"Peonidin 3-rhamnoside 5-glucoside","C28H33O15","609.181945386","M+H","ISgroup_3_1387_19",2019628892.5,0.186
"HMDB38094",0,0,"10_1",238.07819,594.8,"Multiple",238.07729,3.78,"Petunidin 3-arabinoside","C21H21O10","433.113471892","M+ACN+2H","ISgroup_10_694_8",9538920.9,0.078
"HMDB38190",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"Rishitinol","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB38198",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"37-Bisaboladiene-28-dione","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB38249",2,1e+05,"10_1",211.17037,625.7,"Multiple",211.16926,5.26,"Isobornyl propionate","C13H22O2","210.161979948","M+H","ISgroup_10_754_18",362431364.1,0.17
"HMDB38258",2,1e+05,"10_1",211.17037,625.7,"Multiple",211.16926,5.26,"Neryl propionate","C13H22O2","210.161979948","M+H","ISgroup_10_754_18",362431364.1,0.17
"HMDB38288",2,1e+05,"5_1",126.09246,535.1,"Multiple",126.09134,8.88,"4-Butyloxazole","C7H11NO","125.084063979","M+H","ISgroup_5_562_10",12570179.4,0.092
"HMDB38289",2,1e+05,"5_1",126.09246,535.1,"Multiple",126.09134,8.88,"5-Butyloxazole","C7H11NO","125.084063979","M+H","ISgroup_5_562_10",12570179.4,0.092
"HMDB38291",2,1e+05,"10_1",211.17037,625.7,"Multiple",211.16926,5.26,"2-Propenyl cyclohexanebutanoate","C13H22O2","210.161979948","M+H","ISgroup_10_754_18",362431364.1,0.17
"HMDB38295",2,1e+05,"5_1",799.17485,1003.5,"Unique",799.17162,4.04,"Apigenin 4-feruloyl-(-2)-glucuronyl-(1-2)-glucuronide","C37H34O20","798.164343528","M+H","ISgroup_5_1365_18",28294183.9,0.175
"HMDB38325",2,1e+05,"5_1",301.14093,805.9,"Multiple",301.14344,8.33,"Verimol C","C18H20O4","300.136159128","M+H","ISgroup_5_1033_15",17101225.4,0.141
"HMDB38385",2,1e+05,"10_1",483.02002,722,"Unique",483.023,6.17,"Lentinic acid","C12H22N2O10S4","482.015727694","M+H","ISgroup_10_933_3",3013493.5,0.02
"HMDB38416",0,0,"10_1",210.0618,397.2,"Unique",210.06126,2.57,"5-Hexenyl glucosinolate","C13H23NO9S2","401.081422719","M+H+NH4","ISgroup_10_311_7",112273889,0.062
"HMDB38467",0,0,"1_1",225.05975,704.7,"Multiple",225.05756,9.73,"Luteolin 7-galactoside","C21H20O11","448.100561482","M+2H","ISgroup_1_927_6",249431945.6,0.06
"HMDB38468",0,0,"1_1",225.05975,704.7,"Multiple",225.05756,9.73,"Luteolin 4-glucoside","C21H20O11","448.100561482","M+2H","ISgroup_1_927_6",249431945.6,0.06
"HMDB38490",0,0,"2_1",334.11633,775.4,"Multiple",334.11821,5.63,"Bifurcose","C24H42O21","666.221858406","M+2H","ISgroup_2_1024_12",9748008,0.116
"HMDB38529",2,1e+05,"2_1",209.15471,781.5,"Multiple",209.15361,5.26,"59:69-Diepoxy-4-megastigmene","C13H20O2","208.146329884","M+H","ISgroup_2_1034_16",36214625.7,0.155
"HMDB38558",0,0,"11_1",234.11762,738.5,"Multiple",234.11742,0.85,"8-Pentanoylneosolaniol","C24H34O9","466.220282686","M+2H","ISgroup_11_392_12",673591366.4,0.118
"HMDB38569",0,0,"7_1",261.15279,740.7,"Unique",261.15414,5.17,"PC-M5","C29H37NO5","479.267173299","M+ACN+2H","ISgroup_7_954_16",3751213.3,0.153
"HMDB38677",2,1e+05,"10_1",259.05787,490.2,"Multiple",259.0601,8.61,"Alfafuran","C14H10O5","258.05282343","M+H","ISgroup_10_489_6",27085415.5,0.058
"HMDB38698",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"xi-2-Hydroxy-135-bisabolatrien-9-one","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB38714",2,1e+05,"11_1",479.17837,948,"Multiple",479.17592,5.11,"Kelampayoside A","C20H30O13","478.168641046","M+H","ISgroup_11_793_18",22435526.7,0.178
"HMDB38790",2,1e+05,"2_1",161.09644,707.9,"Multiple",161.09609,2.17,"3-Phenyl-4-pentenal","C11H12O","160.088815006","M+H","ISgroup_2_900_10",91105070.5,0.096
"HMDB38795",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"79-Illudadiene-314-diol","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB38796",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"27(14)-Illudadiene-1015-diol","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB38797",2,1e+05,"2_1",469.32858,1054.5,"Multiple",469.33124,5.67,"Uralenolide","C30H44O4","468.323959896","M+H","ISgroup_2_1543_33",26603668.2,0.329
"HMDB38815",2,1e+05,"5_1",369.16807,687.7,"Multiple",369.16965,4.28,"24-Dihydroxy-46-dimethoxy-3-prenylchalcone","C22H24O5","368.162373878","M+H","ISgroup_5_844_17",33707772.4,0.168
"HMDB38820",0,0,"5_1",291.57374,737.2,"Unique",291.57631,8.81,"Isorhamnetin 3-(6-malonylglucoside)","C25H24O15","564.111520098","M+H+NH4","ISgroup_5_920_58",643493.7,0.574
"HMDB38826",2,1e+05,"8_1",832.24282,1120,"Unique",832.24204,0.94,"Alatanin 2","C39H43O20","831.234768816","M+H","ISgroup_8_1_25",960486090.5,0.243
"HMDB38846",0,0,"3_1",234.56982,1055,"Unique",234.56809,7.38,"(-)-Epiafzelechin 3-gallate","C22H18O9","426.095082174","M+ACN+2H","ISgroup_3_1400_57",86480.1,0.57
"HMDB38870",0,0,"2_1",334.11633,775.4,"Multiple",334.11821,5.63,"Neobifurcose","C24H42O21","666.221858406","M+2H","ISgroup_2_1024_12",9748008,0.116
"HMDB38871",0,0,"2_1",334.11633,775.4,"Multiple",334.11821,5.63,"Sesamose","C24H42O21","666.221858406","M+2H","ISgroup_2_1024_12",9748008,0.116
"HMDB38914",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"46-Decadiyn-1-ol isovalerate","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB38939",2,1e+05,"9_1",275.16451,1054.8,"Multiple",275.16417,1.24,"Panaquinquecol 4","C17H22O3","274.15689457","M+H","ISgroup_9_1621_17",10989430.9,0.165
"HMDB38998",2,1e+05,"5_1",119.04993,587.9,"Multiple",119.04914,6.64,"357-Octatriyn-1-ol","C8H6O","118.041864814","M+H","ISgroup_5_665_5",19537642.6,0.05
"HMDB39057",2,1e+05,"5_1",369.16807,687.7,"Multiple",369.16965,4.28,"9-Hydroxy-4-(37-dimethyl-26-octadienyloxy)-psoralen","C22H24O5","368.162373878","M+H","ISgroup_5_844_17",33707772.4,0.168
"HMDB39144",0,0,"10_1",418.11283,427.9,"Multiple",418.11527,5.84,"48:48-Terflavan-3334444555777-tridecol","C45H38O16","834.215985168","M+2H","ISgroup_10_369_12",3385713.8,0.113
"HMDB39157",0,0,"2_1",189.07001,363.6,"Multiple",189.0708,4.18,"Clovamide","C18H17NO7","359.100501903","M+H+NH4","ISgroup_2_234_8",18616846.5,0.07
"HMDB39161",0,0,"11_1",162.09921,842,"Unique",162.09989,4.19,"Syndesine","C12H23N3O6","305.158685483","M+H+NH4","ISgroup_11_596_10",5610789.3,0.099
"HMDB39171",2,1e+05,"5_1",337.23515,858.6,"Multiple",337.23734,6.49,"9alpha-(3-Methylbutanoyloxy)-4S-hydroxy-10(14)-oplopen-3-one","C20H32O4","336.230059512","M+H","ISgroup_5_1129_24",29401790.1,0.235
"HMDB39173",0,0,"2_1",334.11633,775.4,"Multiple",334.11821,5.63,"3-beta-Glucosylcellotriose","C24H42O21","666.221858406","M+2H","ISgroup_2_1024_12",9748008,0.116
"HMDB39174",0,0,"2_1",334.11633,775.4,"Multiple",334.11821,5.63,"3-beta-Cellobiosylcellobiose","C24H42O21","666.221858406","M+2H","ISgroup_2_1024_12",9748008,0.116
"HMDB39176",0,0,"2_1",334.11633,775.4,"Multiple",334.11821,5.63,"Nystose","C24H42O21","666.221858406","M+2H","ISgroup_2_1024_12",9748008,0.116
"HMDB39226",0,0,"10_1",182.12916,310.8,"Multiple",182.13013,5.33,"(Z)-24-Dihydroxy-6-(8-pentadecenyl)benzoic acid","C22H34O4","362.245709576","M+2H","ISgroup_10_151_13",1647754714.9,0.129
"HMDB39266",2,1e+05,"11_1",639.11925,924,"Multiple",639.11919,0.09,"Isochesnatin","C27H26O18","638.111914028","M+H","ISgroup_11_754_12",5065998,0.119
"HMDB39267",2,1e+05,"11_1",639.11925,924,"Multiple",639.11919,0.09,"Chesnatin","C27H26O18","638.111914028","M+H","ISgroup_11_754_12",5065998,0.119
"HMDB39314",0,0,"7_1",336.59996,980,"Multiple",336.59979,0.51,"4-(4-Hydroxyphenyl)-2-butanone O-26-digalloylglucoside","C30H30O15","630.15847029","M+ACN+2H","ISgroup_7_1429_60",1718466.9,0.6
"HMDB39317",2,1e+05,"5_1",419.31607,991.3,"Multiple",419.31559,1.14,"Hexadecyl ferulate","C26H42O4","418.308309832","M+H","ISgroup_5_1353_32",1689497654.6,0.316
"HMDB39337",0,0,"2_1",334.11633,775.4,"Multiple",334.11527,3.17,"Tetramethylquercetin 3-rutinoside","C31H38O16","666.215985168","M+2H","ISgroup_2_1024_12",9748008,0.116
"HMDB39359",2,1e+05,"10_1",191.06836,378.1,"Multiple",191.07027,10,"Methyl (ZZ)-10-hydroxy-28-decadiene-46-diynoate","C11H10O3","190.062994186","M+H","ISgroup_10_278_7",17287431.9,0.068
"HMDB39380",2,1e+05,"4_1",415.2127,886.3,"Multiple",415.21151,2.87,"Armillarin","C24H30O6","414.204238692","M+H","ISgroup_4_816_22",36435465.6,0.213
"HMDB39398",0,0,"4_1",410.25726,888.2,"Unique",410.25866,3.41,"Quinquenoside F1","C42H74O15","818.502771698","M+2H","ISgroup_4_819_26",38010128,0.257
"HMDB39403",2,1e+05,"10_1",381.29764,1081.7,"Multiple",381.29994,6.03,"2-Hydroxy-4-oxo-512-heneicosadien-1-yl acetate","C23H40O4","380.292659768","M+H","ISgroup_10_1602_30",129596362.2,0.298
"HMDB39425",0,0,"2_1",214.18037,602.2,"Multiple",214.18217,8.4,"(6beta22E)-6-Hydroxystigmasta-422-dien-3-one","C29H46O2","426.349780716","M+2H","ISgroup_2_704_19",8812837.3,0.18
"HMDB39441",2,1e+05,"5_1",337.23515,858.6,"Multiple",337.23734,6.49,"ent-1(10)-Halimene-1519-dioic acid","C20H32O4","336.230059512","M+H","ISgroup_5_1129_24",29401790.1,0.235
"HMDB39521",3,4764705.88235295,"10_1",284.12795,379.4,"Multiple",284.12812,0.6,"N-(p-Hydroxyphenyl)ethyl p-hydroxycinnamide","C17H17NO3","283.120843415","M+H","ISgroup_10_279_13",215413053.4,0.128
"HMDB39566",0,0,"8_1",263.57242,1209.6,"Multiple",263.57083,6.03,"BL III","C26H20O11","508.100561482","M+H+NH4","ISgroup_8_174_58",1021211.1,0.572
"HMDB39583",2,1e+05,"5_1",126.09246,535.1,"Multiple",126.09134,8.88,"2-Ethyl-5-imino-1-cyclopenten-1-ol","C7H11NO","125.084063979","M+H","ISgroup_5_562_10",12570179.4,0.092
"HMDB39588",2,1e+05,"5_1",245.18822,271.6,"Multiple",245.18999,7.22,"Panaxynol","C17H24O","244.18271539","M+H","ISgroup_5_62_19",17315452.9,0.188
"HMDB39613",2,1e+05,"10_1",331.1891,968.5,"Multiple",331.19039,3.9,"3344-Tetrahydroxy-55-diisopropyl-22-dimethylbiphenyl","C20H26O4","330.18310932","M+H","ISgroup_10_1389_19",15100576.7,0.189
"HMDB39615",2,1e+05,"2_1",469.32858,1054.5,"Multiple",469.33124,5.67,"Colupone","C30H44O4","468.323959896","M+H","ISgroup_2_1543_33",26603668.2,0.329
"HMDB39621",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"beta-Santalic acid","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB39641",0,0,"9_1",258.15312,737.3,"Multiple",258.1538,2.63,"Ganoderic acid J","C30H42O7","514.293053698","M+2H","ISgroup_9_997_16",141807700.5,0.153
"HMDB39642",0,0,"11_1",241.70519,540.1,"Multiple",241.70327,7.94,"Rofficerone","C30H48O2","440.36543078","M+ACN+2H","ISgroup_11_1_71",213924.9,0.705
"HMDB39649",0,0,"9_1",258.15312,737.3,"Multiple",258.1538,2.63,"Ganoderic acid V1","C30H42O7","514.293053698","M+2H","ISgroup_9_997_16",141807700.5,0.153
"HMDB39661",2,1e+05,"9_1",164.10744,478.9,"Multiple",164.10699,2.74,"2367-Tetrahydro-7-methylcyclopentbazepin-8(1H)-one","C10H13NO","163.099714043","M+H","ISgroup_9_483_11",10896604,0.107
"HMDB39751",0,0,"3_1",282.57651,1249.9,"Unique",282.57396,9.02,"alpha-D-Galactopyranuronosyl-(1-4)-alpha-D-galactopyranuronosyl-(1-4)-D-galacturonic acid","C18H26O19","546.10682865","M+H+NH4","ISgroup_3_1771_58",699686.8,0.577
"HMDB39853",0,0,"5_1",119.98073,1062.6,"Unique",119.98065,0.67,"356-Trichloro-2-pyridinol","C5H2Cl3NO","196.920196812","M+ACN+2H","ISgroup_5_1446_99",603534.4,0.981
"HMDB39896",0,0,"5_1",204.08377,609.7,"Unique",204.08371,0.29,"xi-8-Acetonyldihydrosanguinarine","C23H19NO5","389.126322723","M+H+NH4","ISgroup_5_707_9",7013446.1,0.084
"HMDB39921",2,1e+05,"5_1",603.13381,726.8,"Unique",603.13445,1.06,"Eriodictyol 7-(6-galloylglucoside)","C28H26O15","602.127170162","M+H","ISgroup_5_907_14",1075091.4,0.134
"HMDB39947",3,211764705.882354,"4_1",405.2094,686.1,"Unique",405.21191,6.19,"Pisumionoside","C19H32O9","404.204632622","M+H","ISgroup_4_426_21",826551521.3,0.209
"HMDB39947",3,211764705.882354,"4_1",407.21317,686.3,"Unique",NA,NA,"Pisumionoside","C19H32O9","-","M+H_[+2]","ISgroup_4_426_22",8943822.78333333,0.213169999999991
"HMDB39964",2,1e+05,"5_20",389.18419,721.3,"Multiple",389.18061,9.2,"beta-D-Glucopyranosyl-11-hydroxyjasmonic acid","C18H28O9","388.173332494","M+H","ISgroup_5_901_19",70711139,0.184
"HMDB40015",2,1e+05,"9_1",164.10744,478.9,"Multiple",164.10699,2.74,"2345-Tetrahydro-6-(5-methyl-2-furanyl)pyridine","C10H13NO","163.099714043","M+H","ISgroup_9_483_11",10896604,0.107
"HMDB40022",2,1e+05,"9_1",164.10744,478.9,"Multiple",164.10699,2.74,"23-Dihydro-5-propanoyl-1H-pyrrolizine","C10H13NO","163.099714043","M+H","ISgroup_9_483_11",10896604,0.107
"HMDB40023",2,1e+05,"9_1",164.10744,478.9,"Multiple",164.10699,2.74,"5-Acetyl-23-dihydro-7-methyl-1H-pyrrolizine","C10H13NO","163.099714043","M+H","ISgroup_9_483_11",10896604,0.107
"HMDB40024",2,1e+05,"9_1",164.10744,478.9,"Multiple",164.10699,2.74,"5-Acetyl-23-dihydro-6-methyl-1H-pyrrolizine","C10H13NO","163.099714043","M+H","ISgroup_9_483_11",10896604,0.107
"HMDB40025",2,1e+05,"9_1",164.10744,478.9,"Multiple",164.10699,2.74,"1-(23-Dihydro-5-methyl-1H-pyrrolizin-7-yl)ethanone","C10H13NO","163.099714043","M+H","ISgroup_9_483_11",10896604,0.107
"HMDB40026",2,1e+05,"9_1",164.10744,478.9,"Multiple",164.10699,2.74,"23-Dihydro-56-dimethyl-1H-pyrrolizine-7-carboxaldehyde","C10H13NO","163.099714043","M+H","ISgroup_9_483_11",10896604,0.107
"HMDB40095",0,0,"5_1",141.10664,1033.4,"Multiple",141.10594,4.96,"5-Ethyl-4-methyl-2-octylthiazole","C14H25NS","239.170770495","M+ACN+2H","ISgroup_5_1402_11",3858827.1,0.107
"HMDB40114",0,0,"5_1",141.10664,1033.4,"Multiple",141.10594,4.96,"2-Octyl-4-propylthiazole","C14H25NS","239.170770495","M+ACN+2H","ISgroup_5_1402_11",3858827.1,0.107
"HMDB40125",2,1e+05,"5_1",613.18241,1045.7,"Multiple",613.17631,9.95,"Carthamidin 67-diglucoside","C27H32O16","612.169034976","M+H","ISgroup_5_1417_19",299618142.7,0.182
"HMDB40182",0,0,"2_1",334.11633,775.4,"Multiple",334.11821,5.63,"Fagopyritol A3","C24H42O21","666.221858406","M+2H","ISgroup_2_1024_12",9748008,0.116
"HMDB40232",2,1e+05,"10_1",211.17037,625.7,"Multiple",211.16926,5.26,"Octahydro-2558a-tetramethyl-7H-1-benzopyran-7-one","C13H22O2","210.161979948","M+H","ISgroup_10_754_18",362431364.1,0.17
"HMDB40233",2,1e+05,"2_1",209.15471,781.5,"Multiple",209.15361,5.26,"235688a-Hexahydro-2558a-tetramethyl-7H-1-benzopyran-7-one","C13H20O2","208.146329884","M+H","ISgroup_2_1034_16",36214625.7,0.155
"HMDB40243",2,1e+05,"10_1",223.0637,276.9,"Multiple",223.06434,2.87,"224466-Hexamethyl-135-trithiane","C9H18S3","222.057062646","M+H","ISgroup_10_92_7",67620709.6,0.064
"HMDB40243",2,1e+05,"5_1",223.06401,720.3,"Multiple",223.06434,1.48,"224466-Hexamethyl-135-trithiane","C9H18S3","222.057062646","M+H","ISgroup_5_900_7",2055421729,0.064
"HMDB40262",2,1e+05,"10_1",223.0637,276.9,"Multiple",223.06434,2.87,"246-Triethyl-135-trithiane","C9H18S3","222.057062646","M+H","ISgroup_10_92_7",67620709.6,0.064
"HMDB40262",2,1e+05,"5_1",223.06401,720.3,"Multiple",223.06434,1.48,"246-Triethyl-135-trithiane","C9H18S3","222.057062646","M+H","ISgroup_5_900_7",2055421729,0.064
"HMDB40268",2,1e+05,"2_1",193.08755,337.8,"Multiple",193.08592,8.44,"Ethyl 3-oxo-3-phenylpropanoate","C11H12O3","192.07864425","M+H","ISgroup_2_183_9",372893005.3,0.088
"HMDB40270",2,1e+05,"10_1",371.31553,1116.1,"Multiple",371.31559,0.16,"Diethylhexyl adipate","C22H42O4","370.308309832","M+H","ISgroup_10_1669_32",55628787.6,0.316
"HMDB40326",2,1e+05,"10_1",191.06836,378.1,"Multiple",191.07027,10,"7-Hydroxy-25-dimethyl-4H-1-benzopyran-4-one","C11H10O3","190.062994186","M+H","ISgroup_10_278_7",17287431.9,0.068
"HMDB40350",2,1e+05,"4_1",379.15145,768.6,"Multiple",379.154,6.73,"611-Dihydroxy-3-methyl-3-(4-methyl-3-pentenyl)-3H7H-pyrano23-cxanthen-7-one","C23H22O5","378.146723814","M+H","ISgroup_4_589_16",30526879.1,0.151
"HMDB40407",2,1e+05,"5_1",237.07776,620.1,"Multiple",237.07575,8.48,"(S)-23-Dihydro-7-hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid","C12H12O5","236.068473494","M+H","ISgroup_5_726_8",91657037.3,0.078
"HMDB40424",2,1e+05,"5_1",221.11743,682.5,"Multiple",221.11722,0.95,"Ethyl 2-benzylacetoacetate","C13H16O3","220.109944378","M+H","ISgroup_5_834_12",25917290.4,0.117
"HMDB40446",2,1e+05,"2_1",193.08755,337.8,"Multiple",193.08592,8.44,"Benzyl acetoacetate","C11H12O3","192.07864425","M+H","ISgroup_2_183_9",372893005.3,0.088
"HMDB40495",0,0,"1_1",310.20496,712.2,"Multiple",310.2033,5.35,"cis-p-Coumaroylcorosolic acid","C39H54O6","618.39203946","M+2H","ISgroup_1_940_21",57198886.7,0.205
"HMDB40546",0,0,"10_1",202.08586,569.8,"Multiple",202.08424,8.02,"Pyriminobac-methyl","C17H19N3O6","361.127385355","M+ACN+2H","ISgroup_10_645_9",24738771.9,0.086
"HMDB40548",2,1e+05,"5_1",785.15902,963,"Unique",785.15597,3.88,"Degalloyltheaflavonin","C36H32O20","784.148693464","M+H","ISgroup_5_1310_16",81524711.7,0.159
"HMDB40549",2,1e+05,"5_1",119.04993,587.9,"Multiple",119.04914,6.64,"xi-23-Octadiene-57-diyn-1-ol","C8H6O","118.041864814","M+H","ISgroup_5_665_5",19537642.6,0.05
"HMDB40559",2,1e+05,"5_1",613.18241,1045.7,"Multiple",613.17631,9.95,"Aromadendrin 37-diglucoside","C27H32O16","612.169034976","M+H","ISgroup_5_1417_19",299618142.7,0.182
"HMDB40597",2,1e+05,"5_1",266.11785,373.7,"Multiple",266.11755,1.13,"Eduline","C17H15NO2","265.110278729","M+H","ISgroup_5_253_12",9633310.5,0.118
"HMDB40677",2,1e+05,"5_1",613.18241,1045.7,"Multiple",613.17631,9.95,"Hydroxysafflor yellow A","C27H32O16","612.169034976","M+H","ISgroup_5_1417_19",299618142.7,0.182
"HMDB40706",2,1e+05,"5_20",389.18419,721.3,"Multiple",389.18061,9.2,"7-Epi-12-hydroxyjasmonic acid glucoside","C18H28O9","388.173332494","M+H","ISgroup_5_901_19",70711139,0.184
"HMDB40711",2,1e+05,"2_1",469.32858,1054.5,"Multiple",469.33124,5.67,"16beta-16-Hydroxy-3-oxo-112-oleanadien-28-oic acid","C30H44O4","468.323959896","M+H","ISgroup_2_1543_33",26603668.2,0.329
"HMDB40731",2,1e+05,"10_1",191.06836,378.1,"Multiple",191.07027,10,"Avenalumic acid","C11H10O3","190.062994186","M+H","ISgroup_10_278_7",17287431.9,0.068
"HMDB40748",2,1e+05,"5_1",441.29803,1007.1,"Multiple",441.29994,4.33,"2-Acetoxy-3-geranylgeranyl-14-dihydroxybenzene","C28H40O4","440.292659768","M+H","ISgroup_5_1369_30",652595531.3,0.298
"HMDB40764",2,1e+05,"5_1",441.29803,1007.1,"Multiple",441.29994,4.33,"Bolegrevilol","C28H40O4","440.292659768","M+H","ISgroup_5_1369_30",652595531.3,0.298
"HMDB40827",2,1e+05,"11_1",639.11925,924,"Multiple",639.11919,0.09,"Scutellarein 7-glucuronosyl-(1-2)-glucuronide","C27H26O18","638.111914028","M+H","ISgroup_11_754_12",5065998,0.119
"HMDB40926",2,1e+05,"9_1",275.16451,1054.8,"Multiple",275.16417,1.24,"2-Butyl-5-2-(4-hydroxy-3-methoxyphenyl)ethylfuran","C17H22O3","274.15689457","M+H","ISgroup_9_1621_17",10989430.9,0.165
"HMDB40938",2,1e+05,"10_1",191.06836,378.1,"Multiple",191.07027,10,"Coixinden A","C11H10O3","190.062994186","M+H","ISgroup_10_278_7",17287431.9,0.068
"HMDB40955",2,1e+05,"5_1",377.23564,882.5,"Multiple",377.23225,8.99,"9alpha-(Angeloyloxy)-4S-hydroxy-10(14)-oplopen-3-one 4-acetate","C22H32O5","376.224974134","M+H","ISgroup_5_1171_24",68665550.8,0.236
"HMDB40956",2,1e+05,"5_1",377.23564,882.5,"Multiple",377.23225,8.99,"9alpha-(3-Methyl-2E-butenoyloxy)-4S-hydroxy-10(14)-oplopen-3-one 4-acetate","C22H32O5","376.224974134","M+H","ISgroup_5_1171_24",68665550.8,0.236
"HMDB40966",2,1e+05,"5_1",111.11715,693,"Unique",111.11683,2.88,"13-Octadiene","C8H14","110.109550448","M+H","ISgroup_5_851_12",4766286,0.117
"HMDB40986",2,1e+05,"5_1",149.06002,865,"Multiple",149.05971,2.08,"(E)-3-(4-Hydroxyphenyl)-2-propenal","C9H8O2","148.0524295","M+H","ISgroup_5_1139_7",19920948.4,0.06
"HMDB40999",2,1e+05,"2_1",447.34665,1134.2,"Multiple",447.34689,0.54,"Secasterone","C28H46O4","446.33960996","M+H","ISgroup_2_1698_35",54734995.6,0.347
"HMDB41007",2,1e+05,"2_1",193.08755,337.8,"Multiple",193.08592,8.44,"1-Hydroxychavicol acetate","C11H12O3","192.07864425","M+H","ISgroup_2_183_9",372893005.3,0.088
"HMDB41036",2,1e+05,"10_1",235.16964,777.3,"Multiple",235.16926,1.62,"Sugeonol","C15H22O2","234.161979948","M+H","ISgroup_10_1019_17",131934355.2,0.17
"HMDB41088",0,0,"5_1",254.10752,607.1,"Unique",254.10993,9.48,"(E)-Squamosamide","C26H27NO7","465.178752223","M+ACN+2H","ISgroup_5_702_11",160680985.4,0.108
"HMDB41103",2,1e+05,"10_1",381.29764,1081.7,"Multiple",381.29994,6.03,"Persin","C23H40O4","380.292659768","M+H","ISgroup_10_1602_30",129596362.2,0.298
"HMDB41122",2,1e+05,"10_1",191.06836,378.1,"Multiple",191.07027,10,"(S)-23-Dihydro-5-hydroxy-2-methyl-14-naphthoquinone","C11H10O3","190.062994186","M+H","ISgroup_10_278_7",17287431.9,0.068
"HMDB41170",0,0,"10_1",238.07819,594.8,"Multiple",238.07729,3.78,"Pelargonidin 5-galactoside","C21H21O10","433.113471892","M+ACN+2H","ISgroup_10_694_8",9538920.9,0.078
"HMDB41193",2,1e+05,"5_1",369.16807,687.7,"Multiple",369.16965,4.28,"Kanzonol P","C22H24O5","368.162373878","M+H","ISgroup_5_844_17",33707772.4,0.168
"HMDB41220",2,1e+05,"5_1",315.25297,886.3,"Multiple",315.25299,0.06,"Dibutyl decanedioate","C18H34O4","314.245709576","M+H","ISgroup_5_1178_26",12032470.7,0.253
"HMDB41222",0,0,"11_1",230.08948,738,"Multiple",230.08905,1.87,"a-L-Fucopyranosyl-(1-2)-b-D-galactopyranosyl-(1-2)-D-xylose","C17H30O14","458.163555668","M+2H","ISgroup_11_392_9",36772521.3,0.089
"HMDB41246",0,0,"2_1",327.14867,842.1,"Unique",327.14651,6.6,"Secoisotetrandrine","C38H40N2O8","652.278466266","M+2H","ISgroup_2_1152_15",46881896.5,0.149
"HMDB41247",0,0,"5_1",171.54888,1062,"Unique",171.54821,3.91,"Alkaloid A6","C19H16ClNO3","341.08187109","M+2H","ISgroup_5_1446_55",1776531.3,0.549
"HMDB41337",2,1e+05,"5_1",326.14632,892.1,"Multiple",326.14456,5.4,"2-O-alpha-D-Galactopyranosyl-1-deoxynojirimycin","C12H23NO9","325.137281339","M+H","ISgroup_5_1187_15",453622299.8,0.146
"HMDB41370",2,1e+05,"5_1",351.1343,670,"Multiple",351.13393,1.05,"Na-p-Hydroxycoumaroyltryptophan","C20H18N2O4","350.126657074","M+H","ISgroup_5_811_14",152774257.7,0.134
"HMDB41407",2,1e+05,"4_1",415.2127,886.3,"Multiple",415.21151,2.87,"Clausarinol","C24H30O6","414.204238692","M+H","ISgroup_4_816_22",36435465.6,0.213
"HMDB41414",2,1e+05,"5_1",351.1343,670,"Multiple",351.13576,4.16,"Chloromarmin","C19H23ClO4","350.128486931","M+H","ISgroup_5_811_14",152774257.7,0.134
"HMDB41445",2,1e+05,"10_1",207.15015,626.4,"Multiple",207.14919,4.63,"Agrocybenine","C12H18N2O","206.141913208","M+H","ISgroup_10_754_16",2444599978.7,0.15
"HMDB41454",2,1e+05,"10_1",391.28443,1062.6,"Multiple",391.28429,0.36,"D8-Merulinic acid A","C24H38O4","390.277009704","M+H","ISgroup_10_1565_29",112944479.3,0.284
"HMDB41481",2,1e+05,"2_1",193.08755,337.8,"Multiple",193.08592,8.44,"4-(34-Methylenedioxyphenyl)-2-butanone","C11H12O3","192.07864425","M+H","ISgroup_2_183_9",372893005.3,0.088
"HMDB41495",0,0,"10_1",182.12916,310.8,"Multiple",182.13013,5.33,"ent-16a-Hydroxy-17-acetoxy-19-kauranal","C22H34O4","362.245709576","M+2H","ISgroup_10_151_13",1647754714.9,0.129
"HMDB41527",2,1e+05,"2_1",447.34665,1134.2,"Multiple",447.34689,0.54,"3-Dehydroteasterone","C28H46O4","446.33960996","M+H","ISgroup_2_1698_35",54734995.6,0.347
"HMDB41535",0,0,"5_1",256.08507,299.8,"Unique",256.08357,5.86,"Piperenol A triacetate","C27H26O10","510.152597052","M+2H","ISgroup_5_113_9",21223943.8,0.085
"HMDB41552",2,1e+05,"5_20",389.18419,721.3,"Multiple",389.18061,9.2,"2-4-(3-Hydroxypropyl)-2-methoxyphenoxy-13-propanediol 1-xyloside","C18H28O9","388.173332494","M+H","ISgroup_5_901_19",70711139,0.184
"HMDB41554",2,1e+05,"10_1",211.17037,625.7,"Multiple",211.16926,5.26,"Artemisyl propionate","C13H22O2","210.161979948","M+H","ISgroup_10_754_18",362431364.1,0.17
"HMDB41619",2,1e+05,"10_1",371.31553,1116.1,"Multiple",371.31559,0.16,"Dioctyl hexanedioate","C22H42O4","370.308309832","M+H","ISgroup_10_1669_32",55628787.6,0.316
"HMDB41636",2,1e+05,"2_1",209.15471,781.5,"Multiple",209.15361,5.26,"(3R8E)-3-Hydroxy-58-megastigmadien-7-one","C13H20O2","208.146329884","M+H","ISgroup_2_1034_16",36214625.7,0.155
"HMDB41658",0,0,"5_1",152.54526,1046.3,"Multiple",152.54442,5.51,"3-Hydroxygenistein","C15H10O6","286.047738052","M+H+NH4","ISgroup_5_1417_55",6847597,0.545
"HMDB41688",0,0,"5_1",152.54526,1046.3,"Multiple",152.54442,5.51,"5674-Tetrahydroxyisoflavone","C15H10O6","286.047738052","M+H+NH4","ISgroup_5_1417_55",6847597,0.545
"HMDB41702",0,0,"5_1",152.54526,1046.3,"Multiple",152.54442,5.51,"7834-Tetrahydroxyisoflavone","C15H10O6","286.047738052","M+H+NH4","ISgroup_5_1417_55",6847597,0.545
"HMDB41750",0,0,"10_1",238.07819,594.8,"Multiple",238.07729,3.78,"Isopeonidin 3-arabinoside","C21H21O10","433.113471892","M+ACN+2H","ISgroup_10_694_8",9538920.9,0.078
"HMDB41753",2,1e+05,"3_1",610.18587,1046,"Multiple",610.18922,5.49,"Isopeonidin 3-rutinoside","C28H33O15","609.181945386","M+H","ISgroup_3_1387_19",2019628892.5,0.186
"HMDB41755",0,0,"10_1",238.07819,594.8,"Multiple",238.07729,3.78,"Isopeonidin 3-xyloside","C21H21O10","433.113471892","M+ACN+2H","ISgroup_10_694_8",9538920.9,0.078
"HMDB41759",0,0,"1_1",225.05975,704.7,"Multiple",225.05756,9.73,"Naringenin 4-O-glucuronide","C21H20O11","448.100561482","M+2H","ISgroup_1_927_6",249431945.6,0.06
"HMDB41760",0,0,"1_1",225.05975,704.7,"Multiple",225.05756,9.73,"Naringenin 5-O-glucuronide","C21H20O11","448.100561482","M+2H","ISgroup_1_927_6",249431945.6,0.06
"HMDB41761",0,0,"1_1",225.05975,704.7,"Multiple",225.05756,9.73,"Naringenin 7-O-glucuronide","C21H20O11","448.100561482","M+2H","ISgroup_1_927_6",249431945.6,0.06
"HMDB41765",2,1e+05,"5_1",758.22397,1093.2,"Multiple",758.22639,3.19,"Peonidin 3-sambubioside 5-glucoside","C33H41O20","757.219118752","M+H","ISgroup_5_1502_23",1072974028.3,0.224
"HMDB41767",0,0,"10_1",238.07819,594.8,"Multiple",238.07729,3.78,"Peonidin 3-xyloside","C21H21O10","433.113471892","M+ACN+2H","ISgroup_10_694_8",9538920.9,0.078
"HMDB41819",2,1e+05,"9_1",252.11481,750.1,"Unique",252.11314,6.62,"7-Aminonitrazepam","C15H13N3O","251.105862053","M+H","ISgroup_9_1021_12",188470913.9,0.115
"HMDB41867",0,0,"5_1",152.54526,1046.3,"Multiple",152.546,4.85,"Demoxepam","C15H11ClN2O2","286.050905313","M+H+NH4","ISgroup_5_1417_55",6847597,0.545
"HMDB41927",2,1e+05,"9_1",164.10744,478.9,"Multiple",164.10699,2.74,"Methcathinone","C10H13NO","163.099714043","M+H","ISgroup_9_483_11",10896604,0.107
"HMDB42037",2,1e+05,"10_1",161.05416,296.2,"Multiple",161.05568,9.44,"Thymine glycol","C5H8N2O4","160.048406754","M+H","ISgroup_10_125_6",5569164.2,0.054
"HMDB42075",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(14:014:024:1(15Z))","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB42134",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(14:016:022:1(13Z))","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB42162",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(14:018:020:1(11Z))","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB42190",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(14:020:018:1(11Z))","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB42191",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(14:020:018:1(9Z))","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB42193",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(14:020:020:3(5Z8Z11Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB42199",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(14:020:020:3n6)","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB42219",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(14:022:016:1(9Z))","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB42227",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(14:022:018:3(6Z9Z12Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB42234",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(14:022:018:3(9Z12Z15Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB42248",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(14:024:014:1(9Z))","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB42277",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(14:014:1(9Z)24:0)","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB42306",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(14:016:1(9Z)22:0)","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB42335",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(14:018:1(11Z)20:0)","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB42351",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(14:018:1(11Z)22:2(13Z16Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB42365",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(14:018:1(9Z)20:0)","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB42381",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(14:018:1(9Z)22:2(13Z16Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB42394",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(14:020:1(11Z)18:0)","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB42425",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(14:020:3(5Z8Z11Z)20:0)","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB42453",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(14:022:1(13Z)16:0)","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB42481",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(14:024:1(15Z)14:0)","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB42537",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(14:018:2(9Z12Z)20:5(5Z8Z11Z14Z17Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB42546",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(14:018:3(6Z9Z12Z)22:0)","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB42597",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(14:020:2n620:5(5Z8Z11Z14Z17Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB42605",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(14:020:3n620:0)","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB42670",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(14:022:2(13Z16Z)18:1(11Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB42671",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(14:022:2(13Z16Z)18:1(9Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB42756",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(14:018:3(9Z12Z15Z)22:0)","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB42856",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(14:020:5(5Z8Z11Z14Z17Z)18:2(9Z12Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB42858",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(14:020:5(5Z8Z11Z14Z17Z)20:2n6)","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB43001",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(15:015:022:1(13Z))","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB43219",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(15:016:1(9Z)22:6(4Z7Z10Z13Z16Z19Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB43293",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(15:020:1(11Z)18:2(9Z12Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB43295",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(15:020:1(11Z)20:2n6)","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB43331",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(15:020:3(5Z8Z11Z)18:4(6Z9Z12Z15Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB43337",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(15:022:1(13Z)15:0)","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB43405",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(15:018:2(9Z12Z)20:1(11Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB43442",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(15:018:3(6Z9Z12Z)20:4(5Z8Z11Z14Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB43448",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(15:018:3(6Z9Z12Z)20:4(8Z11Z14Z17Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB43451",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(15:018:3(6Z9Z12Z)22:6(4Z7Z10Z13Z16Z19Z))","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB43463",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(15:020:2n620:1(11Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB43505",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(15:020:3n618:4(6Z9Z12Z15Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB43526",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(15:020:4(5Z8Z11Z14Z)18:3(6Z9Z12Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB43533",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(15:020:4(5Z8Z11Z14Z)18:3(9Z12Z15Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB43536",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(15:020:4(5Z8Z11Z14Z)20:5(5Z8Z11Z14Z17Z))","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB43621",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(15:022:5(4Z7Z10Z13Z16Z)18:4(6Z9Z12Z15Z))","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB43645",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(15:018:3(9Z12Z15Z)20:4(5Z8Z11Z14Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB43651",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(15:018:3(9Z12Z15Z)20:4(8Z11Z14Z17Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB43654",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(15:018:3(9Z12Z15Z)22:6(4Z7Z10Z13Z16Z19Z))","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB43667",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(15:018:4(6Z9Z12Z15Z)20:3(5Z8Z11Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB43673",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(15:018:4(6Z9Z12Z15Z)20:3n6)","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB43677",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(15:018:4(6Z9Z12Z15Z)22:5(4Z7Z10Z13Z16Z))","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB43682",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(15:018:4(6Z9Z12Z15Z)22:5(7Z10Z13Z16Z19Z))","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB43700",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(15:020:4(8Z11Z14Z17Z)18:3(6Z9Z12Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB43707",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(15:020:4(8Z11Z14Z17Z)18:3(9Z12Z15Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB43710",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(15:020:4(8Z11Z14Z17Z)20:5(5Z8Z11Z14Z17Z))","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB43732",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(15:020:5(5Z8Z11Z14Z17Z)20:4(5Z8Z11Z14Z))","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB43738",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(15:020:5(5Z8Z11Z14Z17Z)20:4(8Z11Z14Z17Z))","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB43766",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(15:022:5(7Z10Z13Z16Z19Z)18:4(6Z9Z12Z15Z))","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB43779",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(15:022:6(4Z7Z10Z13Z16Z19Z)16:1(9Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB43787",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(15:022:6(4Z7Z10Z13Z16Z19Z)18:3(6Z9Z12Z))","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB43794",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(15:022:6(4Z7Z10Z13Z16Z19Z)18:3(9Z12Z15Z))","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB43840",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(16:014:022:1(13Z))","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB43920",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(16:018:018:1(11Z))","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB43923",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(16:018:020:3(5Z8Z11Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB43929",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(16:018:020:3n6)","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB43947",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(16:020:016:1(9Z))","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB43955",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(16:020:018:3(6Z9Z12Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB43962",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(16:020:018:3(9Z12Z15Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB43974",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(16:022:014:1(9Z))","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB44028",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(16:014:1(9Z)22:0)","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB44071",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(16:016:1(9Z)22:2(13Z16Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB44082",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(16:018:1(11Z)18:0)","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB44110",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(16:018:1(9Z)18:0)","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB44137",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(16:020:1(11Z)16:0)","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB44166",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(16:020:3(5Z8Z11Z)18:0)","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB44279",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(16:018:3(6Z9Z12Z)20:0)","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB44334",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(16:020:3n618:0)","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB44395",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(16:022:2(13Z16Z)16:1(9Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB44475",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(16:018:3(9Z12Z15Z)20:0)","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB44676",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(18:014:020:1(11Z))","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB44729",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(18:016:018:1(9Z))","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB44731",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(18:016:020:3(5Z8Z11Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB44737",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(18:016:020:3n6)","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB44754",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(18:018:016:1(9Z))","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB44762",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(18:018:018:3(6Z9Z12Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB44769",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(18:018:018:3(9Z12Z15Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB44780",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(18:020:014:1(9Z))","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB44858",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(18:014:1(9Z)20:0)","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB44874",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(18:014:1(9Z)22:2(13Z16Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB44884",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(18:016:1(9Z)18:0)","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB45100",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(18:018:3(6Z9Z12Z)18:0)","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB45212",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(18:022:2(13Z16Z)14:1(9Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB45289",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(18:018:3(9Z12Z15Z)18:0)","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB45482",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(20:014:018:1(11Z))","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB45483",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(20:014:018:1(9Z))","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB45485",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(20:014:020:3(5Z8Z11Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB45491",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(20:014:020:3n6)","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB45533",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(20:016:016:1(9Z))","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB45541",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(20:016:018:3(6Z9Z12Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB45548",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(20:016:018:3(9Z12Z15Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB45558",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(20:018:014:1(9Z))","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB46259",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(22:014:016:1(9Z))","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB46267",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(22:014:018:3(6Z9Z12Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB46274",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(22:014:018:3(9Z12Z15Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB46308",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(22:016:014:1(9Z))","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB47006",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(24:014:014:1(9Z))","C55H104O6","860.78329106","M+ACN+2H","ISgroup_10_1005_91",2336691.6,0.908
"HMDB47555",0,0,"5_1",533.44314,1099.4,"Multiple",533.44587,5.12,"TG(24:022:5(4Z7Z10Z13Z16Z)22:6(4Z7Z10Z13Z16Z19Z))","C71H116O6","1064.877191444","M+2H","ISgroup_5_1510_45",310891151.9,0.443
"HMDB47675",0,0,"5_1",533.44314,1099.4,"Multiple",533.44587,5.12,"TG(24:022:5(7Z10Z13Z16Z19Z)22:6(4Z7Z10Z13Z16Z19Z))","C71H116O6","1064.877191444","M+2H","ISgroup_5_1510_45",310891151.9,0.443
"HMDB47693",0,0,"5_1",533.44314,1099.4,"Multiple",533.44587,5.12,"TG(24:022:6(4Z7Z10Z13Z16Z19Z)22:5(4Z7Z10Z13Z16Z))","C71H116O6","1064.877191444","M+2H","ISgroup_5_1510_45",310891151.9,0.443
"HMDB47698",0,0,"5_1",533.44314,1099.4,"Multiple",533.44587,5.12,"TG(24:022:6(4Z7Z10Z13Z16Z19Z)22:5(7Z10Z13Z16Z19Z))","C71H116O6","1064.877191444","M+2H","ISgroup_5_1510_45",310891151.9,0.443
"HMDB47806",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(14:1(9Z)18:022:2(13Z16Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB47915",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(14:1(9Z)16:1(9Z)24:1(15Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB47937",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(14:1(9Z)18:1(11Z)22:1(13Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB47960",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(14:1(9Z)18:1(9Z)22:1(13Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB47981",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(14:1(9Z)20:1(11Z)20:1(11Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB48025",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(14:1(9Z)22:1(13Z)18:1(11Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB48026",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(14:1(9Z)22:1(13Z)18:1(9Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB48047",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(14:1(9Z)24:1(15Z)16:1(9Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB48081",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(14:1(9Z)18:2(9Z12Z)20:4(5Z8Z11Z14Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB48087",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(14:1(9Z)18:2(9Z12Z)20:4(8Z11Z14Z17Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB48090",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(14:1(9Z)18:2(9Z12Z)22:6(4Z7Z10Z13Z16Z19Z))","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB48127",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(14:1(9Z)20:2n620:4(5Z8Z11Z14Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB48133",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(14:1(9Z)20:2n620:4(8Z11Z14Z17Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB48136",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(14:1(9Z)20:2n622:6(4Z7Z10Z13Z16Z19Z))","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB48169",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(14:1(9Z)20:4(5Z8Z11Z14Z)18:2(9Z12Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB48171",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(14:1(9Z)20:4(5Z8Z11Z14Z)20:2n6)","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB48307",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(14:1(9Z)20:4(8Z11Z14Z17Z)18:2(9Z12Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB48309",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(14:1(9Z)20:4(8Z11Z14Z17Z)20:2n6)","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB48376",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(14:1(9Z)22:6(4Z7Z10Z13Z16Z19Z)18:2(9Z12Z))","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB48378",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(14:1(9Z)22:6(4Z7Z10Z13Z16Z19Z)20:2n6)","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB48455",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(16:1(9Z)15:022:6(4Z7Z10Z13Z16Z19Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB48469",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(16:1(9Z)16:022:2(13Z16Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB48573",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(16:1(9Z)14:1(9Z)24:1(15Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB48594",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(16:1(9Z)16:1(9Z)22:1(13Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB48614",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(16:1(9Z)18:1(11Z)20:1(11Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB48656",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(16:1(9Z)20:1(11Z)18:1(11Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB48657",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(16:1(9Z)20:1(11Z)18:1(9Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB48699",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(16:1(9Z)22:1(13Z)16:1(9Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB48759",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(16:1(9Z)18:2(9Z12Z)18:4(6Z9Z12Z15Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB48803",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(16:1(9Z)20:2n618:4(6Z9Z12Z15Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB48948",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(16:1(9Z)18:4(6Z9Z12Z15Z)18:2(9Z12Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB48950",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(16:1(9Z)18:4(6Z9Z12Z15Z)20:2n6)","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB49083",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(18:1(11Z)14:022:2(13Z16Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB49223",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(18:1(11Z)14:1(9Z)22:1(13Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB49242",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(18:1(11Z)16:1(9Z)20:1(11Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB49261",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(18:1(11Z)18:1(11Z)18:1(11Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB49262",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(18:1(11Z)18:1(11Z)18:1(9Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB49282",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(18:1(11Z)18:1(9Z)18:1(11Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB49283",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(18:1(11Z)18:1(9Z)18:1(9Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB49711",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(18:1(9Z)14:022:2(13Z16Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB49844",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(18:1(9Z)14:1(9Z)22:1(13Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB49862",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(18:1(9Z)16:1(9Z)20:1(11Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB50323",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(20:1(11Z)15:018:2(9Z12Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB50325",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(20:1(11Z)15:020:2n6)","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB50433",0,0,"10_1",451.90817,767.3,"Multiple",451.9122,8.92,"TG(20:1(11Z)14:1(9Z)20:1(11Z))","C57H104O6","884.78329106","M+H+NH4","ISgroup_10_1005_91",2336691.6,0.908
"HMDB50899",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(20:3(5Z8Z11Z)15:018:4(6Z9Z12Z15Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB52267",0,0,"5_1",533.44314,1099.4,"Multiple",533.44587,5.12,"TG(24:1(15Z)22:4(7Z10Z13Z16Z)22:6(4Z7Z10Z13Z16Z19Z))","C71H116O6","1064.877191444","M+2H","ISgroup_5_1510_45",310891151.9,0.443
"HMDB52277",0,0,"5_1",533.44314,1099.4,"Multiple",533.44587,5.12,"TG(24:1(15Z)22:5(4Z7Z10Z13Z16Z)22:5(4Z7Z10Z13Z16Z))","C71H116O6","1064.877191444","M+2H","ISgroup_5_1510_45",310891151.9,0.443
"HMDB52282",0,0,"5_1",533.44314,1099.4,"Multiple",533.44587,5.12,"TG(24:1(15Z)22:5(4Z7Z10Z13Z16Z)22:5(7Z10Z13Z16Z19Z))","C71H116O6","1064.877191444","M+2H","ISgroup_5_1510_45",310891151.9,0.443
"HMDB52357",0,0,"5_1",533.44314,1099.4,"Multiple",533.44587,5.12,"TG(24:1(15Z)22:5(7Z10Z13Z16Z19Z)22:5(4Z7Z10Z13Z16Z))","C71H116O6","1064.877191444","M+2H","ISgroup_5_1510_45",310891151.9,0.443
"HMDB52362",0,0,"5_1",533.44314,1099.4,"Multiple",533.44587,5.12,"TG(24:1(15Z)22:5(7Z10Z13Z16Z19Z)22:5(7Z10Z13Z16Z19Z))","C71H116O6","1064.877191444","M+2H","ISgroup_5_1510_45",310891151.9,0.443
"HMDB52372",0,0,"5_1",533.44314,1099.4,"Multiple",533.44587,5.12,"TG(24:1(15Z)22:6(4Z7Z10Z13Z16Z19Z)22:4(7Z10Z13Z16Z))","C71H116O6","1064.877191444","M+2H","ISgroup_5_1510_45",310891151.9,0.443
"HMDB52407",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(18:2(9Z12Z)14:020:5(5Z8Z11Z14Z17Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB52505",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(18:2(9Z12Z)14:1(9Z)20:4(5Z8Z11Z14Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB52511",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(18:2(9Z12Z)14:1(9Z)20:4(8Z11Z14Z17Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB52514",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(18:2(9Z12Z)14:1(9Z)22:6(4Z7Z10Z13Z16Z19Z))","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB52525",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(18:2(9Z12Z)16:1(9Z)18:4(6Z9Z12Z15Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB52645",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(18:2(9Z12Z)18:3(6Z9Z12Z)18:4(6Z9Z12Z15Z))","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB52695",0,0,"5_1",474.9227,764.7,"Multiple",474.92256,0.29,"TG(18:2(9Z12Z)20:4(5Z8Z11Z14Z)o-18:0)","C60H106O5","906.804026502","M+ACN+2H","ISgroup_5_963_93",25923515.2,0.923
"HMDB52750",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(18:2(9Z12Z)18:3(9Z12Z15Z)18:4(6Z9Z12Z15Z))","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB52757",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(18:2(9Z12Z)18:4(6Z9Z12Z15Z)18:3(6Z9Z12Z))","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB52764",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(18:2(9Z12Z)18:4(6Z9Z12Z15Z)18:3(9Z12Z15Z))","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB52785",0,0,"5_1",474.9227,764.7,"Multiple",474.92256,0.29,"TG(18:2(9Z12Z)20:4(8Z11Z14Z17Z)o-18:0)","C60H106O5","906.804026502","M+ACN+2H","ISgroup_5_963_93",25923515.2,0.923
"HMDB52800",0,0,"2_1",453.39775,1054.1,"Multiple",453.40146,8.18,"TG(18:2(9Z12Z)20:5(5Z8Z11Z14Z17Z)o-18:0)","C60H104O5","904.788376438","M+2H","ISgroup_2_1543_40",25525867.8,0.398
"HMDB52830",0,0,"5_1",474.9227,764.7,"Multiple",474.92256,0.29,"TG(18:2(9Z12Z)22:6(4Z7Z10Z13Z16Z19Z)o-18:0)","C62H106O5","930.804026502","M+H+NH4","ISgroup_5_963_93",25923515.2,0.923
"HMDB52835",0,0,"5_1",474.9227,764.7,"Multiple",474.92256,0.29,"TG(18:2(9Z12Z)o-18:020:4(5Z8Z11Z14Z))","C60H106O5","906.804026502","M+ACN+2H","ISgroup_5_963_93",25923515.2,0.923
"HMDB52841",0,0,"5_1",474.9227,764.7,"Multiple",474.92256,0.29,"TG(18:2(9Z12Z)o-18:020:4(8Z11Z14Z17Z))","C60H106O5","906.804026502","M+ACN+2H","ISgroup_5_963_93",25923515.2,0.923
"HMDB52842",0,0,"2_1",453.39775,1054.1,"Multiple",453.40146,8.18,"TG(18:2(9Z12Z)o-18:020:5(5Z8Z11Z14Z17Z))","C60H104O5","904.788376438","M+2H","ISgroup_2_1543_40",25525867.8,0.398
"HMDB52844",0,0,"5_1",474.9227,764.7,"Multiple",474.92256,0.29,"TG(18:2(9Z12Z)o-18:022:6(4Z7Z10Z13Z16Z19Z))","C62H106O5","930.804026502","M+H+NH4","ISgroup_5_963_93",25923515.2,0.923
"HMDB52862",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(18:3(6Z9Z12Z)15:020:4(5Z8Z11Z14Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB52868",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(18:3(6Z9Z12Z)15:020:4(8Z11Z14Z17Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB52871",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(18:3(6Z9Z12Z)15:022:6(4Z7Z10Z13Z16Z19Z))","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB53063",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(18:3(6Z9Z12Z)18:2(9Z12Z)18:4(6Z9Z12Z15Z))","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB53091",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(18:3(6Z9Z12Z)20:2n618:4(6Z9Z12Z15Z))","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB53182",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(18:3(6Z9Z12Z)18:4(6Z9Z12Z15Z)20:2n6)","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB53273",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(20:2n614:020:5(5Z8Z11Z14Z17Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB53357",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(20:2n614:1(9Z)20:4(5Z8Z11Z14Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB53363",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(20:2n614:1(9Z)20:4(8Z11Z14Z17Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB53366",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(20:2n614:1(9Z)22:6(4Z7Z10Z13Z16Z19Z))","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB53375",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(20:2n616:1(9Z)18:4(6Z9Z12Z15Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB53479",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(20:2n618:3(6Z9Z12Z)18:4(6Z9Z12Z15Z))","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB53523",0,0,"5_1",474.9227,764.7,"Multiple",474.92256,0.29,"TG(20:2n620:4(5Z8Z11Z14Z)o-18:0)","C60H106O5","906.804026502","M+ACN+2H","ISgroup_5_963_93",25923515.2,0.923
"HMDB53570",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(20:2n618:3(9Z12Z15Z)18:4(6Z9Z12Z15Z))","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB53582",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(20:2n618:4(6Z9Z12Z15Z)18:3(9Z12Z15Z))","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB53601",0,0,"5_1",474.9227,764.7,"Multiple",474.92256,0.29,"TG(20:2n620:4(8Z11Z14Z17Z)o-18:0)","C60H106O5","906.804026502","M+ACN+2H","ISgroup_5_963_93",25923515.2,0.923
"HMDB53614",0,0,"2_1",453.39775,1054.1,"Multiple",453.40146,8.18,"TG(20:2n620:5(5Z8Z11Z14Z17Z)o-18:0)","C60H104O5","904.788376438","M+2H","ISgroup_2_1543_40",25525867.8,0.398
"HMDB53640",0,0,"5_1",474.9227,764.7,"Multiple",474.92256,0.29,"TG(20:2n622:6(4Z7Z10Z13Z16Z19Z)o-18:0)","C62H106O5","930.804026502","M+H+NH4","ISgroup_5_963_93",25923515.2,0.923
"HMDB53643",0,0,"5_1",474.9227,764.7,"Multiple",474.92256,0.29,"TG(20:2n6o-18:020:4(5Z8Z11Z14Z))","C60H106O5","906.804026502","M+ACN+2H","ISgroup_5_963_93",25923515.2,0.923
"HMDB53649",0,0,"5_1",474.9227,764.7,"Multiple",474.92256,0.29,"TG(20:2n6o-18:020:4(8Z11Z14Z17Z))","C60H106O5","906.804026502","M+ACN+2H","ISgroup_5_963_93",25923515.2,0.923
"HMDB53650",0,0,"2_1",453.39775,1054.1,"Multiple",453.40146,8.18,"TG(20:2n6o-18:020:5(5Z8Z11Z14Z17Z))","C60H104O5","904.788376438","M+2H","ISgroup_2_1543_40",25525867.8,0.398
"HMDB53652",0,0,"5_1",474.9227,764.7,"Multiple",474.92256,0.29,"TG(20:2n6o-18:022:6(4Z7Z10Z13Z16Z19Z))","C62H106O5","930.804026502","M+H+NH4","ISgroup_5_963_93",25923515.2,0.923
"HMDB53671",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(20:3n615:018:4(6Z9Z12Z15Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB54027",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(20:4(5Z8Z11Z14Z)15:018:3(9Z12Z15Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB54030",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(20:4(5Z8Z11Z14Z)15:020:5(5Z8Z11Z14Z17Z))","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB54187",0,0,"5_1",474.9227,764.7,"Multiple",474.92256,0.29,"TG(20:4(5Z8Z11Z14Z)18:2(9Z12Z)o-18:0)","C60H106O5","906.804026502","M+ACN+2H","ISgroup_5_963_93",25923515.2,0.923
"HMDB54209",0,0,"5_1",474.9227,764.7,"Multiple",474.92256,0.29,"TG(20:4(5Z8Z11Z14Z)20:2n6o-18:0)","C60H106O5","906.804026502","M+ACN+2H","ISgroup_5_963_93",25923515.2,0.923
"HMDB54773",0,0,"5_1",533.44314,1099.4,"Multiple",533.44587,5.12,"TG(22:4(7Z10Z13Z16Z)24:1(15Z)22:6(4Z7Z10Z13Z16Z19Z))","C71H116O6","1064.877191444","M+2H","ISgroup_5_1510_45",310891151.9,0.443
"HMDB54919",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(22:5(4Z7Z10Z13Z16Z)15:018:4(6Z9Z12Z15Z))","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB54963",0,0,"5_1",533.44314,1099.4,"Multiple",533.44587,5.12,"TG(22:5(4Z7Z10Z13Z16Z)24:022:6(4Z7Z10Z13Z16Z19Z))","C71H116O6","1064.877191444","M+2H","ISgroup_5_1510_45",310891151.9,0.443
"HMDB55021",0,0,"5_1",533.44314,1099.4,"Multiple",533.44587,5.12,"TG(22:5(4Z7Z10Z13Z16Z)24:1(15Z)22:5(4Z7Z10Z13Z16Z))","C71H116O6","1064.877191444","M+2H","ISgroup_5_1510_45",310891151.9,0.443
"HMDB55026",0,0,"5_1",533.44314,1099.4,"Multiple",533.44587,5.12,"TG(22:5(4Z7Z10Z13Z16Z)24:1(15Z)22:5(7Z10Z13Z16Z19Z))","C71H116O6","1064.877191444","M+2H","ISgroup_5_1510_45",310891151.9,0.443
"HMDB55157",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(18:3(9Z12Z15Z)15:020:4(8Z11Z14Z17Z))","C56H94O6","862.70504074","M+ACN+2H","ISgroup_10_1005_87",7393185.9,0.87
"HMDB55160",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(18:3(9Z12Z15Z)15:022:6(4Z7Z10Z13Z16Z19Z))","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB55254",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(18:3(9Z12Z15Z)18:2(9Z12Z)18:4(6Z9Z12Z15Z))","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB55268",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(18:3(9Z12Z15Z)20:2n618:4(6Z9Z12Z15Z))","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB55366",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(18:4(6Z9Z12Z15Z)15:022:5(7Z10Z13Z16Z19Z))","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB55542",0,0,"10_1",452.86991,766.8,"Multiple",452.87307,6.98,"TG(20:4(8Z11Z14Z17Z)15:020:5(5Z8Z11Z14Z17Z))","C58H94O6","886.70504074","M+H+NH4","ISgroup_10_1005_87",7393185.9,0.87
"HMDB55615",0,0,"5_1",474.9227,764.7,"Multiple",474.92256,0.29,"TG(20:4(8Z11Z14Z17Z)18:2(9Z12Z)o-18:0)","C60H106O5","906.804026502","M+ACN+2H","ISgroup_5_963_93",25923515.2,0.923
"HMDB55625",0,0,"5_1",474.9227,764.7,"Multiple",474.92256,0.29,"TG(20:4(8Z11Z14Z17Z)20:2n6o-18:0)","C60H106O5","906.804026502","M+ACN+2H","ISgroup_5_963_93",25923515.2,0.923
"HMDB55748",0,0,"2_1",453.39775,1054.1,"Multiple",453.40146,8.18,"TG(20:5(5Z8Z11Z14Z17Z)18:2(9Z12Z)o-18:0)","C60H104O5","904.788376438","M+2H","ISgroup_2_1543_40",25525867.8,0.398
"HMDB55756",0,0,"2_1",453.39775,1054.1,"Multiple",453.40146,8.18,"TG(20:5(5Z8Z11Z14Z17Z)20:2n6o-18:0)","C60H104O5","904.788376438","M+2H","ISgroup_2_1543_40",25525867.8,0.398
"HMDB55823",0,0,"5_1",533.44314,1099.4,"Multiple",533.44587,5.12,"TG(22:5(7Z10Z13Z16Z19Z)24:022:6(4Z7Z10Z13Z16Z19Z))","C71H116O6","1064.877191444","M+2H","ISgroup_5_1510_45",310891151.9,0.443
"HMDB55846",0,0,"5_1",533.44314,1099.4,"Multiple",533.44587,5.12,"TG(22:5(7Z10Z13Z16Z19Z)24:1(15Z)22:5(7Z10Z13Z16Z19Z))","C71H116O6","1064.877191444","M+2H","ISgroup_5_1510_45",310891151.9,0.443
"HMDB55924",0,0,"5_1",474.9227,764.7,"Multiple",474.92256,0.29,"TG(22:6(4Z7Z10Z13Z16Z19Z)18:2(9Z12Z)o-18:0)","C62H106O5","930.804026502","M+H+NH4","ISgroup_5_963_93",25923515.2,0.923
"HMDB55928",0,0,"5_1",474.9227,764.7,"Multiple",474.92256,0.29,"TG(22:6(4Z7Z10Z13Z16Z19Z)20:2n6o-18:0)","C62H106O5","930.804026502","M+H+NH4","ISgroup_5_963_93",25923515.2,0.923
"HMDB55984",0,0,"2_1",326.79835,762.3,"Multiple",326.79736,3.03,"DG(15:00:020:0)","C38H74O5","610.553625478","M+ACN+2H","ISgroup_2_1003_80",307736.2,0.798
"HMDB56000",0,0,"2_1",326.79835,762.3,"Multiple",326.79736,3.03,"DG(15:00:022:2n6)","C40H74O5","634.553625478","M+H+NH4","ISgroup_2_1003_80",307736.2,0.798
"HMDB56048",0,0,"2_1",326.79835,762.3,"Multiple",326.79736,3.03,"DG(18:00:018:2n6)","C40H74O5","634.553625478","M+H+NH4","ISgroup_2_1003_80",307736.2,0.798
"HMDB56050",0,0,"2_1",326.79835,762.3,"Multiple",326.79736,3.03,"DG(18:00:020:2n6)","C40H74O5","634.553625478","M+H+NH4","ISgroup_2_1003_80",307736.2,0.798
"HMDB56110",0,0,"5_1",363.31018,974.4,"Multiple",363.30756,7.21,"DG(22:00:022:6n3)","C47H80O5","724.60057567","M+2H","ISgroup_5_1328_32",10622799.3,0.31
"HMDB56133",0,0,"5_1",377.326,1018.1,"Multiple",377.32321,7.39,"DG(24:00:022:6n3)","C49H84O5","752.631875798","M+2H","ISgroup_5_1385_33",25130779.9,0.326
"HMDB56260",0,0,"5_1",363.31018,974.4,"Multiple",363.30756,7.21,"DG(22:1n90:022:5n6)","C47H80O5","724.60057567","M+2H","ISgroup_5_1328_32",10622799.3,0.31
"HMDB56265",0,0,"5_1",363.31018,974.4,"Multiple",363.30756,7.21,"DG(22:1n90:022:5n3)","C47H80O5","724.60057567","M+2H","ISgroup_5_1328_32",10622799.3,0.31
"HMDB56275",0,0,"5_1",377.326,1018.1,"Multiple",377.32321,7.39,"DG(24:1n90:022:5n6)","C49H84O5","752.631875798","M+2H","ISgroup_5_1385_33",25130779.9,0.326
"HMDB56279",0,0,"5_1",363.31018,974.4,"Multiple",363.30756,7.21,"DG(24:1n90:020:5n3)","C47H80O5","724.60057567","M+2H","ISgroup_5_1328_32",10622799.3,0.31
"HMDB56280",0,0,"5_1",377.326,1018.1,"Multiple",377.32321,7.39,"DG(24:1n90:022:5n3)","C49H84O5","752.631875798","M+2H","ISgroup_5_1385_33",25130779.9,0.326
"HMDB56343",0,0,"5_1",363.31018,974.4,"Multiple",363.30756,7.21,"DG(22:2n60:022:4n6)","C47H80O5","724.60057567","M+2H","ISgroup_5_1328_32",10622799.3,0.31
"HMDB56464",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(16:016:022:5(4Z7Z10Z13Z16Z)22:5(4Z7Z10Z13Z16Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB56465",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(16:016:022:5(4Z7Z10Z13Z16Z)22:5(7Z10Z13Z16Z19Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB56466",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(16:016:022:5(4Z7Z10Z13Z16Z)22:6(4Z7Z10Z13Z16Z19Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB56474",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(16:016:022:5(7Z10Z13Z16Z19Z)22:5(4Z7Z10Z13Z16Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB56475",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(16:016:022:5(7Z10Z13Z16Z19Z)22:5(7Z10Z13Z16Z19Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB56476",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(16:016:022:5(7Z10Z13Z16Z19Z)22:6(4Z7Z10Z13Z16Z19Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB56484",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(16:016:022:6(4Z7Z10Z13Z16Z19Z)22:5(4Z7Z10Z13Z16Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB56485",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(16:016:022:6(4Z7Z10Z13Z16Z19Z)22:5(7Z10Z13Z16Z19Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB56571",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(16:016:1(9Z)22:5(4Z7Z10Z13Z16Z)22:5(4Z7Z10Z13Z16Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB56572",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(16:016:1(9Z)22:5(4Z7Z10Z13Z16Z)22:5(7Z10Z13Z16Z19Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB56575",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(16:016:1(9Z)22:5(7Z10Z13Z16Z19Z)22:5(4Z7Z10Z13Z16Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB56576",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(16:016:1(9Z)22:5(7Z10Z13Z16Z19Z)22:5(7Z10Z13Z16Z19Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB56721",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(16:018:2(9Z12Z)18:2(9Z12Z)22:6(4Z7Z10Z13Z16Z19Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB56734",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(16:018:2(9Z12Z)22:6(4Z7Z10Z13Z16Z19Z)18:2(9Z12Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB56778",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(16:022:5(4Z7Z10Z13Z16Z)16:022:5(4Z7Z10Z13Z16Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB56779",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(16:022:5(4Z7Z10Z13Z16Z)16:022:5(7Z10Z13Z16Z19Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB56780",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(16:022:5(4Z7Z10Z13Z16Z)16:022:6(4Z7Z10Z13Z16Z19Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB56787",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(16:022:5(4Z7Z10Z13Z16Z)16:1(9Z)22:5(4Z7Z10Z13Z16Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB56788",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(16:022:5(4Z7Z10Z13Z16Z)16:1(9Z)22:5(7Z10Z13Z16Z19Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB56807",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(16:022:5(4Z7Z10Z13Z16Z)22:5(4Z7Z10Z13Z16Z)16:0)","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB56809",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(16:022:5(4Z7Z10Z13Z16Z)22:5(4Z7Z10Z13Z16Z)16:1(9Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB56817",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(16:022:5(4Z7Z10Z13Z16Z)22:5(7Z10Z13Z16Z19Z)16:0)","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB56819",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(16:022:5(4Z7Z10Z13Z16Z)22:5(7Z10Z13Z16Z19Z)16:1(9Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB56827",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(16:022:5(4Z7Z10Z13Z16Z)22:6(4Z7Z10Z13Z16Z19Z)16:0)","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB56831",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(16:022:5(7Z10Z13Z16Z19Z)16:022:5(7Z10Z13Z16Z19Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB56832",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(16:022:5(7Z10Z13Z16Z19Z)16:022:6(4Z7Z10Z13Z16Z19Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB56839",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(16:022:5(7Z10Z13Z16Z19Z)16:1(9Z)22:5(4Z7Z10Z13Z16Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB56840",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(16:022:5(7Z10Z13Z16Z19Z)16:1(9Z)22:5(7Z10Z13Z16Z19Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB56859",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(16:022:5(7Z10Z13Z16Z19Z)22:5(4Z7Z10Z13Z16Z)16:0)","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB56861",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(16:022:5(7Z10Z13Z16Z19Z)22:5(4Z7Z10Z13Z16Z)16:1(9Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB56869",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(16:022:5(7Z10Z13Z16Z19Z)22:5(7Z10Z13Z16Z19Z)16:0)","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB56871",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(16:022:5(7Z10Z13Z16Z19Z)22:5(7Z10Z13Z16Z19Z)16:1(9Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB56879",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(16:022:5(7Z10Z13Z16Z19Z)22:6(4Z7Z10Z13Z16Z19Z)16:0)","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB56899",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(16:022:6(4Z7Z10Z13Z16Z19Z)18:2(9Z12Z)18:2(9Z12Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB56904",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(16:022:6(4Z7Z10Z13Z16Z19Z)22:5(4Z7Z10Z13Z16Z)16:0)","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB56908",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(16:022:6(4Z7Z10Z13Z16Z19Z)22:5(7Z10Z13Z16Z19Z)16:0)","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB56960",0,0,"6_1",754.06897,757.9,"Unique",754.06926,0.38,"CL(18:018:018:018:0)","C81H158O17P2","1465.097426654","M+ACN+2H","ISgroup_6_1042_7",485109.7,0.069
"HMDB56962",0,0,"6_1",753.06451,816.3,"Multiple",753.06144,4.08,"CL(18:018:018:018:1(11Z))","C81H156O17P2","1463.08177659","M+ACN+2H","ISgroup_6_1157_7",1694698.8,0.065
"HMDB56963",0,0,"6_1",753.06451,816.3,"Multiple",753.06144,4.08,"CL(18:018:018:018:1(9Z))","C81H156O17P2","1463.08177659","M+ACN+2H","ISgroup_6_1157_7",1694698.8,0.065
"HMDB56980",0,0,"6_1",753.06451,816.3,"Multiple",753.06144,4.08,"CL(18:018:018:1(11Z)18:0)","C81H156O17P2","1463.08177659","M+ACN+2H","ISgroup_6_1157_7",1694698.8,0.065
"HMDB56990",0,0,"6_1",753.06451,816.3,"Multiple",753.06144,4.08,"CL(18:018:018:1(9Z)18:0)","C81H156O17P2","1463.08177659","M+ACN+2H","ISgroup_6_1157_7",1694698.8,0.065
"HMDB57016",0,0,"5_1",766.52485,788.1,"Multiple",766.53251,9.99,"CL(18:018:020:4(5Z8Z11Z14Z)22:5(4Z7Z10Z13Z16Z))","C87H152O17P2","1531.050476462","M+2H","ISgroup_5_999_53",4880812.7,0.525
"HMDB57017",0,0,"5_1",766.52485,788.1,"Multiple",766.53251,9.99,"CL(18:018:020:4(5Z8Z11Z14Z)22:5(7Z10Z13Z16Z19Z))","C87H152O17P2","1531.050476462","M+2H","ISgroup_5_999_53",4880812.7,0.525
"HMDB57025",0,0,"5_1",766.52485,788.1,"Multiple",766.53251,9.99,"CL(18:018:022:5(4Z7Z10Z13Z16Z)20:4(5Z8Z11Z14Z))","C87H152O17P2","1531.050476462","M+2H","ISgroup_5_999_53",4880812.7,0.525
"HMDB57035",0,0,"5_1",766.52485,788.1,"Multiple",766.53251,9.99,"CL(18:018:022:5(7Z10Z13Z16Z19Z)20:4(5Z8Z11Z14Z))","C87H152O17P2","1531.050476462","M+2H","ISgroup_5_999_53",4880812.7,0.525
"HMDB57220",0,0,"5_1",766.52485,788.1,"Multiple",766.53251,9.99,"CL(18:018:2(9Z12Z)18:2(9Z12Z)22:5(4Z7Z10Z13Z16Z))","C87H152O17P2","1531.050476462","M+2H","ISgroup_5_999_53",4880812.7,0.525
"HMDB57221",0,0,"5_1",766.52485,788.1,"Multiple",766.53251,9.99,"CL(18:018:2(9Z12Z)18:2(9Z12Z)22:5(7Z10Z13Z16Z19Z))","C87H152O17P2","1531.050476462","M+2H","ISgroup_5_999_53",4880812.7,0.525
"HMDB57227",0,0,"5_1",766.52485,788.1,"Multiple",766.53251,9.99,"CL(18:018:2(9Z12Z)22:5(4Z7Z10Z13Z16Z)18:2(9Z12Z))","C87H152O17P2","1531.050476462","M+2H","ISgroup_5_999_53",4880812.7,0.525
"HMDB57231",0,0,"5_1",766.52485,788.1,"Multiple",766.53251,9.99,"CL(18:018:2(9Z12Z)22:5(7Z10Z13Z16Z19Z)18:2(9Z12Z))","C87H152O17P2","1531.050476462","M+2H","ISgroup_5_999_53",4880812.7,0.525
"HMDB57238",0,0,"5_1",766.52485,788.1,"Multiple",766.53251,9.99,"CL(18:020:4(5Z8Z11Z14Z)18:022:5(4Z7Z10Z13Z16Z))","C87H152O17P2","1531.050476462","M+2H","ISgroup_5_999_53",4880812.7,0.525
"HMDB57239",0,0,"5_1",766.52485,788.1,"Multiple",766.53251,9.99,"CL(18:020:4(5Z8Z11Z14Z)18:022:5(7Z10Z13Z16Z19Z))","C87H152O17P2","1531.050476462","M+2H","ISgroup_5_999_53",4880812.7,0.525
"HMDB57265",0,0,"5_1",766.52485,788.1,"Multiple",766.53251,9.99,"CL(18:020:4(5Z8Z11Z14Z)22:5(4Z7Z10Z13Z16Z)18:0)","C87H152O17P2","1531.050476462","M+2H","ISgroup_5_999_53",4880812.7,0.525
"HMDB57269",0,0,"5_1",766.52485,788.1,"Multiple",766.53251,9.99,"CL(18:020:4(5Z8Z11Z14Z)22:5(7Z10Z13Z16Z19Z)18:0)","C87H152O17P2","1531.050476462","M+2H","ISgroup_5_999_53",4880812.7,0.525
"HMDB57294",0,0,"5_1",766.52485,788.1,"Multiple",766.53251,9.99,"CL(18:022:5(4Z7Z10Z13Z16Z)18:2(9Z12Z)18:2(9Z12Z))","C87H152O17P2","1531.050476462","M+2H","ISgroup_5_999_53",4880812.7,0.525
"HMDB57297",0,0,"5_1",766.52485,788.1,"Multiple",766.53251,9.99,"CL(18:022:5(4Z7Z10Z13Z16Z)20:4(5Z8Z11Z14Z)18:0)","C87H152O17P2","1531.050476462","M+2H","ISgroup_5_999_53",4880812.7,0.525
"HMDB57342",0,0,"5_1",766.52485,788.1,"Multiple",766.53251,9.99,"CL(18:022:5(7Z10Z13Z16Z19Z)18:2(9Z12Z)18:2(9Z12Z))","C87H152O17P2","1531.050476462","M+2H","ISgroup_5_999_53",4880812.7,0.525
"HMDB57345",0,0,"5_1",766.52485,788.1,"Multiple",766.53251,9.99,"CL(18:022:5(7Z10Z13Z16Z19Z)20:4(5Z8Z11Z14Z)18:0)","C87H152O17P2","1531.050476462","M+2H","ISgroup_5_999_53",4880812.7,0.525
"HMDB57435",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(16:1(9Z)16:022:5(4Z7Z10Z13Z16Z)22:5(4Z7Z10Z13Z16Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB57436",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(16:1(9Z)16:022:5(4Z7Z10Z13Z16Z)22:5(7Z10Z13Z16Z19Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB57439",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(16:1(9Z)16:022:5(7Z10Z13Z16Z19Z)22:5(4Z7Z10Z13Z16Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB57440",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(16:1(9Z)16:022:5(7Z10Z13Z16Z19Z)22:5(7Z10Z13Z16Z19Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB57673",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(16:1(9Z)18:2(9Z12Z)18:2(9Z12Z)22:5(4Z7Z10Z13Z16Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB57674",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(16:1(9Z)18:2(9Z12Z)18:2(9Z12Z)22:5(7Z10Z13Z16Z19Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB57675",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(16:1(9Z)18:2(9Z12Z)18:2(9Z12Z)22:6(4Z7Z10Z13Z16Z19Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB57680",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(16:1(9Z)18:2(9Z12Z)22:5(4Z7Z10Z13Z16Z)18:2(9Z12Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB57684",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(16:1(9Z)18:2(9Z12Z)22:5(7Z10Z13Z16Z19Z)18:2(9Z12Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB57688",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(16:1(9Z)18:2(9Z12Z)22:6(4Z7Z10Z13Z16Z19Z)18:2(9Z12Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB57740",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(16:1(9Z)22:5(4Z7Z10Z13Z16Z)18:2(9Z12Z)18:2(9Z12Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB57747",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(16:1(9Z)22:5(4Z7Z10Z13Z16Z)22:5(4Z7Z10Z13Z16Z)16:0)","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB57757",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(16:1(9Z)22:5(4Z7Z10Z13Z16Z)22:5(7Z10Z13Z16Z19Z)16:0)","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB57784",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(16:1(9Z)22:5(7Z10Z13Z16Z19Z)18:2(9Z12Z)18:2(9Z12Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB57791",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(16:1(9Z)22:5(7Z10Z13Z16Z19Z)22:5(4Z7Z10Z13Z16Z)16:0)","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB57801",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(16:1(9Z)22:5(7Z10Z13Z16Z19Z)22:5(7Z10Z13Z16Z19Z)16:0)","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB57825",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(16:1(9Z)22:6(4Z7Z10Z13Z16Z19Z)18:2(9Z12Z)18:2(9Z12Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB58002",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(18:1(11Z)18:1(11Z)20:4(5Z8Z11Z14Z)20:4(5Z8Z11Z14Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB58068",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(18:1(11Z)18:1(9Z)20:4(5Z8Z11Z14Z)20:4(5Z8Z11Z14Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB58145",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(18:1(11Z)20:4(5Z8Z11Z14Z)18:1(11Z)20:4(5Z8Z11Z14Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB58155",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(18:1(11Z)20:4(5Z8Z11Z14Z)18:1(9Z)20:4(5Z8Z11Z14Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB58166",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(18:1(11Z)20:4(5Z8Z11Z14Z)20:4(5Z8Z11Z14Z)18:1(11Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB58167",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(18:1(11Z)20:4(5Z8Z11Z14Z)20:4(5Z8Z11Z14Z)18:1(9Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB58437",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(18:1(9Z)18:1(11Z)20:4(5Z8Z11Z14Z)20:4(5Z8Z11Z14Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB58491",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(18:1(9Z)18:1(9Z)20:4(5Z8Z11Z14Z)20:4(5Z8Z11Z14Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB58558",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(18:1(9Z)20:4(5Z8Z11Z14Z)18:1(9Z)20:4(5Z8Z11Z14Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB58569",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(18:1(9Z)20:4(5Z8Z11Z14Z)20:4(5Z8Z11Z14Z)18:1(11Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB58570",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(18:1(9Z)20:4(5Z8Z11Z14Z)20:4(5Z8Z11Z14Z)18:1(9Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB58703",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(18:2(9Z12Z)16:018:2(9Z12Z)22:6(4Z7Z10Z13Z16Z19Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB58716",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(18:2(9Z12Z)16:022:6(4Z7Z10Z13Z16Z19Z)18:2(9Z12Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB58724",0,0,"5_1",766.52485,788.1,"Multiple",766.53251,9.99,"CL(18:2(9Z12Z)18:018:2(9Z12Z)22:5(4Z7Z10Z13Z16Z))","C87H152O17P2","1531.050476462","M+2H","ISgroup_5_999_53",4880812.7,0.525
"HMDB58725",0,0,"5_1",766.52485,788.1,"Multiple",766.53251,9.99,"CL(18:2(9Z12Z)18:018:2(9Z12Z)22:5(7Z10Z13Z16Z19Z))","C87H152O17P2","1531.050476462","M+2H","ISgroup_5_999_53",4880812.7,0.525
"HMDB58731",0,0,"5_1",766.52485,788.1,"Multiple",766.53251,9.99,"CL(18:2(9Z12Z)18:022:5(4Z7Z10Z13Z16Z)18:2(9Z12Z))","C87H152O17P2","1531.050476462","M+2H","ISgroup_5_999_53",4880812.7,0.525
"HMDB58735",0,0,"5_1",766.52485,788.1,"Multiple",766.53251,9.99,"CL(18:2(9Z12Z)18:022:5(7Z10Z13Z16Z19Z)18:2(9Z12Z))","C87H152O17P2","1531.050476462","M+2H","ISgroup_5_999_53",4880812.7,0.525
"HMDB58746",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(18:2(9Z12Z)16:1(9Z)18:2(9Z12Z)22:5(4Z7Z10Z13Z16Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB58747",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(18:2(9Z12Z)16:1(9Z)18:2(9Z12Z)22:5(7Z10Z13Z16Z19Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB58748",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(18:2(9Z12Z)16:1(9Z)18:2(9Z12Z)22:6(4Z7Z10Z13Z16Z19Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB58753",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(18:2(9Z12Z)16:1(9Z)22:5(4Z7Z10Z13Z16Z)18:2(9Z12Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB58757",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(18:2(9Z12Z)16:1(9Z)22:5(7Z10Z13Z16Z19Z)18:2(9Z12Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB58761",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(18:2(9Z12Z)16:1(9Z)22:6(4Z7Z10Z13Z16Z19Z)18:2(9Z12Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB58826",0,0,"5_1",766.52485,788.1,"Multiple",766.53251,9.99,"CL(18:2(9Z12Z)18:2(9Z12Z)22:5(4Z7Z10Z13Z16Z)18:0)","C87H152O17P2","1531.050476462","M+2H","ISgroup_5_999_53",4880812.7,0.525
"HMDB58827",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(18:2(9Z12Z)18:2(9Z12Z)22:5(4Z7Z10Z13Z16Z)16:1(9Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB58836",0,0,"5_1",766.52485,788.1,"Multiple",766.53251,9.99,"CL(18:2(9Z12Z)18:2(9Z12Z)22:5(7Z10Z13Z16Z19Z)18:0)","C87H152O17P2","1531.050476462","M+2H","ISgroup_5_999_53",4880812.7,0.525
"HMDB58837",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(18:2(9Z12Z)18:2(9Z12Z)22:5(7Z10Z13Z16Z19Z)16:1(9Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB58845",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(18:2(9Z12Z)18:2(9Z12Z)22:6(4Z7Z10Z13Z16Z19Z)16:0)","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB58847",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(18:2(9Z12Z)18:2(9Z12Z)22:6(4Z7Z10Z13Z16Z19Z)16:1(9Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB58992",0,0,"5_1",766.52485,788.1,"Multiple",766.53251,9.99,"CL(20:4(5Z8Z11Z14Z)18:022:5(4Z7Z10Z13Z16Z)18:0)","C87H152O17P2","1531.050476462","M+2H","ISgroup_5_999_53",4880812.7,0.525
"HMDB58996",0,0,"5_1",766.52485,788.1,"Multiple",766.53251,9.99,"CL(20:4(5Z8Z11Z14Z)18:022:5(7Z10Z13Z16Z19Z)18:0)","C87H152O17P2","1531.050476462","M+2H","ISgroup_5_999_53",4880812.7,0.525
"HMDB59022",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(20:4(5Z8Z11Z14Z)18:1(11Z)20:4(5Z8Z11Z14Z)18:1(11Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB59023",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(20:4(5Z8Z11Z14Z)18:1(11Z)20:4(5Z8Z11Z14Z)18:1(9Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB59043",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(20:4(5Z8Z11Z14Z)18:1(9Z)20:4(5Z8Z11Z14Z)18:1(9Z))","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB59185",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(22:5(4Z7Z10Z13Z16Z)16:022:5(4Z7Z10Z13Z16Z)16:0)","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB59187",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(22:5(4Z7Z10Z13Z16Z)16:022:5(4Z7Z10Z13Z16Z)16:1(9Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB59195",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(22:5(4Z7Z10Z13Z16Z)16:022:5(7Z10Z13Z16Z19Z)16:0)","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB59197",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(22:5(4Z7Z10Z13Z16Z)16:022:5(7Z10Z13Z16Z19Z)16:1(9Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB59205",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(22:5(4Z7Z10Z13Z16Z)16:022:6(4Z7Z10Z13Z16Z19Z)16:0)","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB59240",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(22:5(4Z7Z10Z13Z16Z)16:1(9Z)22:5(7Z10Z13Z16Z19Z)16:0)","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB59400",0,0,"5_1",751.50265,666.4,"Multiple",751.50904,8.5,"CL(22:5(7Z10Z13Z16Z19Z)16:022:5(7Z10Z13Z16Z19Z)16:0)","C85H146O17P2","1501.00352627","M+2H","ISgroup_5_808_51",169238828.3,0.503
"HMDB59402",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(22:5(7Z10Z13Z16Z19Z)16:022:5(7Z10Z13Z16Z19Z)16:1(9Z))","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB59410",0,0,"2_1",750.49614,667.7,"Multiple",750.50121,6.76,"CL(22:5(7Z10Z13Z16Z19Z)16:022:6(4Z7Z10Z13Z16Z19Z)16:0)","C85H144O17P2","1498.987876206","M+2H","ISgroup_2_828_50",5903501.8,0.496
"HMDB59622",2,1e+05,"5_1",177.05475,510,"Multiple",177.05462,0.73,"4-Methylumbelliferone","C10H8O3","176.047344122","M+H","ISgroup_5_516_6",40920417.9,0.055
"HMDB59626",0,0,"10_1",160.05025,295.6,"Multiple",160.04868,9.81,"N-acetyl-alpha-D-galactosamine 1-phosphate","C8H16NO9P","301.056267627","M+H+NH4","ISgroup_10_125_6",91668458.7,0.05
"HMDB59642",0,0,"2_1",216.19582,639.7,"Multiple",216.19782,9.25,"4-beta-Hydroxymethyl-4-alpha-methyl-5-alpha-cholest-7-en-3-beta-ol","C29H50O2","430.381080844","M+2H","ISgroup_2_776_20",3469530.6,0.196
"HMDB59662",0,0,"10_1",214.10222,762.1,"Multiple",214.10042,8.41,"Q","C17H23N5O7","409.159748115","M+H+NH4","ISgroup_10_997_11",180527219.8,0.102
"HMDB59718",2,1e+05,"5_1",326.14632,892.1,"Multiple",326.14456,5.4,"Glucopyranosylmoranoline","C12H23NO9","325.137281339","M+H","ISgroup_5_1187_15",453622299.8,0.146
"HMDB59815",2,1e+05,"5_1",159.06547,365.9,"Multiple",159.06518,1.82,"Ethyl 5-oxotetrahydro-2-furancarboxylate","C7H10O4","158.057908808","M+H","ISgroup_5_238_7",22151998.4,0.065
"HMDB59935",0,0,"10_1",658.22324,1012.8,"Unique",658.22385,0.93,"Maltooctaose","C48H82O41","1314.433152126","M+2H","ISgroup_10_1469_23",6788884.5,0.223
"HMDB60017",2,1e+05,"5_1",303.07376,751.7,"Unique",303.07106,8.91,"Pyrogallol-2-O-glucuronide","C12H14O9","302.063782046","M+H","ISgroup_5_941_8",61119913.3,0.074
"HMDB60045",0,0,"5_1",178.12612,508.6,"Multiple",178.12759,8.25,"15-keto-PGF1alpha","C20H34O5","354.240624198","M+2H","ISgroup_5_514_13",29081289.6,0.126
"HMDB60103",2,1e+05,"5_1",337.23515,858.6,"Multiple",337.23734,6.49,"9-Deoxy-delta12-PGD2","C20H32O4","336.230059512","M+H","ISgroup_5_1129_24",29401790.1,0.235
"HMDB60104",2,1e+05,"5_1",337.23515,858.6,"Multiple",337.23734,6.49,"Prostaglandin C1","C20H32O4","336.230059512","M+H","ISgroup_5_1129_24",29401790.1,0.235
"HMDB60105",2,1e+05,"5_1",337.23515,858.6,"Multiple",337.23734,6.49,"1220-DiHETE","C20H32O4","336.230059512","M+H","ISgroup_5_1129_24",29401790.1,0.235
"HMDB60107",0,0,"5_1",178.12612,508.6,"Multiple",178.12759,8.25,"(5Z9E12S14Z)-81112-Trihydroxyicosa-5914-trienoate","C20H34O5","354.240624198","M+2H","ISgroup_5_514_13",29081289.6,0.126
"HMDB60110",0,0,"5_1",359.98071,771,"Unique",359.98329,7.17,"35-Diiodo-L-thyronine-beta-D-glucuronoside","C21H21I2NO10","700.925482737","M+H+NH4","ISgroup_5_970_99",115809267.9,0.981
"HMDB60262",2,1e+05,"5_1",130.05035,503.7,"Multiple",130.04987,3.69,"5-Oxoprolinate","C5H7NO3","129.042593095","M+H","ISgroup_5_507_6",73329969.6,0.05
"HMDB60297",2,1e+05,"11_1",639.11925,924,"Multiple",639.11919,0.09,"Luteolin 7-O-beta-D-glucuronosyl-(1-2)-beta-D-glucuronide","C27H26O18","638.111914028","M+H","ISgroup_11_754_12",5065998,0.119
"HMDB60313",0,0,"5_1",560.68047,1034.5,"Unique",560.685,8.08,"(6Z9Z12Z15Z18Z21Z)-3-Oxotetracosahexa-6912151821-enoyl-CoA","C45H68N7O18P3S","1119.355438633","M+2H","ISgroup_5_1403_69",432243.2,0.68
"HMDB60320",2,1e+05,"1_1",189.03764,503.8,"Multiple",189.03936,9.1,"(Z)-But-1-ene-124-tricarboxylate","C7H8O6","188.032087988","M+H","ISgroup_1_532_4",23576405.5,0.038
"HMDB60341",2,1e+05,"7_1",273.12589,733.9,"Multiple",273.12739,5.49,"1a11b-Dihydro-49-dimethylbenzaanthra34-boxirene","C20H16O","272.120115134","M+H","ISgroup_7_942_13",9716873.9,0.126
"HMDB60343",0,0,"7_1",336.59996,980,"Multiple",336.60181,5.5,"2-(S-Glutathionyl)acetyl glutathione","C22H34N6O13S2","654.162526584","M+H+NH4","ISgroup_7_1429_60",1718466.9,0.6
"HMDB60354",2,1e+05,"9_1",275.16451,1054.8,"Multiple",275.16417,1.24,"2-Polyprenyl-6-methoxy-14-benzoquinone","C17H22O3","274.15689457","M+H","ISgroup_9_1621_17",10989430.9,0.165
"HMDB60387",0,0,"5_1",304.06802,726.1,"Unique",304.06704,3.22,"4-Glutathionyl cyclophosphamide","C17H30Cl2N5O8PS","565.092975577","M+ACN+2H","ISgroup_5_907_7",155887309,0.068
"HMDB60388",2,1e+05,"9_1",275.16451,1054.8,"Multiple",275.16417,1.24,"4-Hydroxy-3-polyprenylbenzoate","C17H22O3","274.15689457","M+H","ISgroup_9_1621_17",10989430.9,0.165
"HMDB60419",2,1e+05,"7_1",273.12589,733.9,"Multiple",273.12739,5.49,"7-Hydroxymethyl-12-methylbenzaanthracene","C20H16O","272.120115134","M+H","ISgroup_7_942_13",9716873.9,0.126
"HMDB60422",2,1e+05,"7_1",273.12589,733.9,"Multiple",273.12739,5.49,"712-Dimethylbenzaanthracene 56-oxide","C20H16O","272.120115134","M+H","ISgroup_7_942_13",9716873.9,0.126
"HMDB60450",0,0,"5_1",208.55821,1119.7,"Multiple",208.55974,7.34,"Cephalosporin C","C16H21N3O8S","415.104935353","M+2H","ISgroup_5_1543_56",2048280.3,0.558
"HMDB60494",2,1e+05,"5_1",365.15331,668.2,"Unique",365.15546,5.89,"N-Acetylmuramoyl-Ala","C14H24N2O9","364.148180376","M+H","ISgroup_5_809_16",134407824.8,0.153
"HMDB60549",2,1e+05,"5_1",224.08421,734.8,"Unique",224.08367,2.41,"Norketamine","C12H14ClNO","223.076391782","M+H","ISgroup_5_917_9",1163722908.5,0.084
"HMDB60558",2,1e+05,"5_1",198.11108,524.4,"Multiple",198.11247,7.02,"Desglymidodrine","C10H15NO3","197.105193351","M+H","ISgroup_5_543_12",7900657.4,0.111
"HMDB60564",2,1e+05,"4_1",237.11298,774.2,"Multiple",237.11213,3.58,"Carboxy-ibuprofen","C13H16O4","236.104859","M+H","ISgroup_4_598_12",68390529.9,0.113
"HMDB60582",2,1e+05,"5_1",397.17913,667.9,"Multiple",397.1758,8.38,"Benazeprilat","C22H24N2O5","396.168521888","M+H","ISgroup_5_809_18",92649645.3,0.179
"HMDB60619",0,0,"5_1",183.07047,585.4,"Unique",183.06955,5.03,"Tazarotenic acid","C19H17NO2S","323.097999483","M+ACN+2H","ISgroup_5_661_8",12796234.9,0.07
"HMDB60622",0,0,"10_1",285.14564,739.3,"Multiple",285.14651,3.05,"Endoxifen O-glucuronide","C31H37NO8","551.251917165","M+H+NH4","ISgroup_10_958_15",326959665.7,0.146
"HMDB60656",2,1e+05,"10_1",207.15015,626.4,"Multiple",207.14919,4.63,"Monoethylglycinexylidide","C12H18N2O","206.141913208","M+H","ISgroup_10_754_16",2444599978.7,0.15
"HMDB60751",0,0,"11_1",230.08948,738,"Multiple",230.08972,1.04,"3-Amino-3-deoxythimidine glucuronide","C16H23N3O10","417.138343971","M+ACN+2H","ISgroup_11_392_9",36772521.3,0.089
"HMDB60797",0,0,"11_1",234.11762,738.5,"Multiple",234.11562,8.54,"6alpha9alpha-Difluoroprednisolone-17-butyrate","C25H32F2O6","466.216695166","M+2H","ISgroup_11_392_12",673591366.4,0.118
"HMDB60881",2,1e+05,"2_1",199.03922,595.3,"Multiple",199.03977,2.76,"Dechloroethyl cyclophosphamide","C5H12ClN2O2P","198.032491857","M+H","ISgroup_2_692_4",30551930.8,0.039
"HMDB60896",0,0,"10_1",354.15638,551.3,"Unique",354.15583,1.55,"N-Desmethylritonavir","C36H46N6O5S2","706.297109992","M+2H","ISgroup_10_610_16",7889537.8,0.156
"HMDB60970",0,0,"5_1",152.54526,1046.3,"Multiple",152.546,4.85,"norclobazam","C15H11ClN2O2","286.050905313","M+H+NH4","ISgroup_5_1417_55",6847597,0.545
"HMDB60975",0,0,"5_1",152.54526,1046.3,"Multiple",152.546,4.85,"nortemazepam","C15H11ClN2O2","286.050905313","M+H+NH4","ISgroup_5_1417_55",6847597,0.545
"HMDB61020",2,1e+05,"5_1",734.46899,667.9,"Multiple",734.46852,0.64,"N-desmethylclarithromycin","C37H67NO13","733.461241235","M+H","ISgroup_5_809_47",60968370.5,0.469
"HMDB61092",2,1e+05,"5_1",397.17913,667.9,"Multiple",397.18211,7.5,"fluticasone 17beta-carboxylic acid","C21H26F2O5","396.174830352","M+H","ISgroup_5_809_18",92649645.3,0.179
"HMDB61093",2,1e+05,"5_1",130.05035,503.7,"Multiple",130.04987,3.69,"dimethadione","C5H7NO3","129.042593095","M+H","ISgroup_5_507_6",73329969.6,0.05
"HMDB61121",0,0,"5_1",152.54526,1046.3,"Multiple",152.546,4.85,"3-Hydroxynordiazepam","C15H11ClN2O2","286.050905313","M+H+NH4","ISgroup_5_1417_55",6847597,0.545
"HMDB61122",2,1e+05,"1_1",266.17662,758,"Multiple",266.17507,5.82,"4-Hydroxy-alprenolol","C15H23NO3","265.167793607","M+H","ISgroup_1_1028_18",29207341.7,0.177
"HMDB61136",2,1e+05,"9_1",265.1158,502.3,"Multiple",265.11828,9.35,"di-Hydroxymelatonin","C13H16N2O4","264.11100701","M+H","ISgroup_9_529_12",99131198.4,0.116
"HMDB61159",0,0,"10_1",214.10222,762.1,"Multiple",214.10335,5.28,"N-Carbamoyl glucuronide lorcaserin","C21H28ClNO5","409.165600718","M+H+NH4","ISgroup_10_997_11",180527219.8,0.102
"HMDB61168",2,1e+05,"11_1",318.10226,782.9,"Unique",318.10529,9.53,"N2-Monodes-methylnizatidine","C11H19N5O2S2","317.098016257","M+H","ISgroup_11_479_11",6481245.9,0.102
"HMDB61175",0,0,"5_1",152.54526,1046.3,"Multiple",152.546,4.85,"p-Hydroxynordiazepam","C15H11ClN2O2","286.050905313","M+H+NH4","ISgroup_5_1417_55",6847597,0.545
testdata/recetox-xMSannotator/qc_solvent/expected_chemscore.Rds 0 → 100644 LFS
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testdata/recetox-xMSannotator/sourceforge/Stage3.csv
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testdata/recetox-xMSannotator/sourceforge/chemscoremat.Rds LFS
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testdata/recetox-xMSannotator/sourceforge/expected_chemscore.Rds 0 → 100644 LFS
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testdata/recetox-xMSannotator/sourceforge/global_cor_integ.Rda 0 → 100644 LFS
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