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Analysis: Reversed phase POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
16:0-18:0 PC (M+H)+PC 16:0_18:0ME20272118631368-25.571761.5944
16:0-18:0 PC (M+NA)+PC 16:0_18:0ME20272218631368-25.608761.5963
16:0 LYSO PC (M+H)+LPC 16:0ME202719460602-22.28495.3326
16:0 LYSO PC (M+NA)+LPC 16:0ME202720460602-22.257495.3283
18:0 LYSO-PE (M+H)+LPE 18:0ME2027239547068-22.67481.3177
18:0 LYSO-PE (M+NA)+LPE 18:0ME2027249547068-22.667481.3194
1-METHYLURIC ACID (M+H)+1-Methyluric acidME20271569726-2.213182.0437
1-METHYLXANTHINE (M+H)+1-MethylxanthineME20271680220-2.48166.0483
1-METHYLXANTHINE (M+NA)+1-MethylxanthineME20271780220-2.491166.0473
1-PHENYLETHANOL (M+H)+[-H2O]1-PhenylethanolME2027187409-2.749122.073
20:0 LYSO PC (M+H)+LPC 20:0ME20272924779473-23.002551.396
20:0 LYSO PC (M+NA)+LPC 20:0ME20273024779473-22.968551.3981
25-HYDROXYCHOLESTEROL (M+H)+[-H2O]25-HydroxycholesterolME20273165094-22.836402.3431
2-DEOXY-D-GLUCOSE (M+NA)+2-Deoxy-glucoseME202728439268-0.673164.0661
2'-DEOXYGUANOSINE #2 (M+H)+DeoxyguanosineME202725187790-2.052267.0973
2'-DEOXYINOSINE (2M+NA)+DeoxyinosineME20272665058-2.096252.0873
2'-DEOXYINOSINE (M+NA)+DeoxyinosineME20272765058-2.094252.0872
3-AMINOISOBUTYRIC ACID (M+H)+[-H2O]3-Aminoisobutanoic acidME20273264956-1.754103.0634
3-HYDROXYBENZALDEHYDE (M+H)+[-H2O]3-HydroxybenzaldehydeME202733101-4.845122.0365
3-HYDROXYKYNURENINE (M+H)+HydroxykynurenineME20273411811-1.244224.0763
3-METHYLADENINE (M+NA)+3-MethyladenineME2027351673-1.068149.0679
3-METHYLXANTHINE (M+H)+3-MethylxanthineME20273670639-2.48166.0522
4-ACETAMIDOBUTANOIC ACID (M+H)+4-Acetamidobutanoic acidME20273718189-1.69145.0733
4-ACETAMIDOBUTANOIC ACID (M+NA)+4-Acetamidobutanoic acidME20273818189-1.761145.073
4-PYRIDOXIC ACID (M+H)+4-Pyridoxic acidME2027396723-1.965183.0536
5'-DEOXYADENOSINE (M+H)+5'-DeoxyadenosineME202740439182-2.572251.103
5-HYDROXYINDOLEACETIC ACID (M+H)+5-Hydroxyindoleacetic acidME2027421826-4.163191.0614
5-HYDROXYINDOLEACETIC ACID (M+NA)+5-Hydroxyindoleacetic acidME2027431826-4.117191.06
5-HYDROXYTRYPTOPHAN (M+H)+5-Hydroxy-tryptophanME202744439280-1.734220.0811
5'-METHYLTHIOADENOSINE (M+H)+5'-MethylthioadenosineME202741439176-4.477297.0912
5-OXOPROLINE (M+H)+Pyroglutamic acidME2027457405-1.178129.0413
5-VALEROLACTONE (M+H)+5-ValerolactoneME20274610953-2.143100.0524
ACETYLCARNITINE (M+H)+CAR 2:0ME20274718230-0.903203.1152
ADENOSINE 5'-MONOPHOSPHATE (2M+H)+AMPME2027486083-0.926347.059
ADENOSINE 5'-MONOPHOSPHATE (M+H)+AMPME2027496083-0.923347.0616
ADIPIC ACID (M+H)+Adipic acidME202750196-3.583146.0555
ADIPIC ACID (M+NA)+Adipic acidME202751196-3.577146.0573
AGMATINE (M+H)+AgmatineME202752199-0.504130.1209
ALANINE (M+H)+AlanineME2027535950-1.02389.0471
ALLANTOIN (M+H)+AllantoinME202754439714-0.717158.0414
ALLOPREGNANOLONE (M+H)+[-H2O]3alpha-Hydroxy-5alpha-pregnan-20-oneME20275592787-20.846318.2508
ALPHA-KETO-GLUTARIC ACID (M+H)+[-H2O]2-Oxoglutaric acidME20275651-1.021146.0207
ALPHA-TOCOPHEROL (M+H)+alpha-TocopherolME20275714985-24.601430.3809
ASPARTIC ACID (M+H)+Aspartic acidME2027585960-0.58133.0375
AZELAIC ACID (M+NA)+Azelaic acidME2027592266-10.742188.1083
BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (M+NA)+AnserineME202760112072-0.67240.1175
BIOTIN (M+H)+BiotinME20276111966127-6.342244.0884
BIOTIN (M+NA)+BiotinME20276211966127-6.321244.0888
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+H)+bis(2-Ethylhexyl)phthalic acidME2027638343-23.108390.2785
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+NA)+bis(2-Ethylhexyl)phthalic acidME2027648343-23.103390.2781
BIURET (M+H)+BiuretME2027657913-0.721103.0382
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (M+NA)+-ME20276646891735-23.196643.5002
CALCIDIOL (M+H)+[-H2O]25-Hydroxyvitamin D3ME2027675283731-22.622400.3295
CARNITINE (M+H)+CarnitineME20276810917-0.648161.1027
CARNOSINE (M+H)+CarnosineME202769439224-0.559226.1074
CARNOSINE (M+NA)+CarnosineME202770439224-0.652226.1105
CHOLESTEROL (M+H)+[-H2O]CholesterolME2027715997-24.685386.3554
CHOLINE PHOSPHATE (M+H)+Choline phosphateME2027721014-0.699183.0673
CITRAMALIC ACID (M+H)+[-H2O]Citramalic acidME202773441696-1.294148.0351
CITRULLINE (M+H)+CitrullineME2027749750-0.665175.0929
CITRULLINE (M+NA)+CitrullineME2027759750-0.659175.0963
CMP (M+H)+CMPME2027766131-0.68323.0469
CREATININE (M+NA)+CreatinineME202777588-0.65113.0599
CYSTATHIONINE (M+H)+CystathionineME202778439258-0.63222.0671
CYSTATHIONINE (M+H)+[-H2O]CystathionineME202779439258-0.629222.0667
CYSTATHIONINE (M+NA)+CystathionineME202780439258-0.573222.066
CYSTINE (M+H)+CystineME2027816857538-0.581240.0213
CYSTINE (M+NA)+CystineME2027826857538-0.618240.0263
CYTIDINE (2M+H)+CytidineME2027836175-0.823243.0863
CYTOSINE (M+NA)+CytosineME202784597-0.719111.0418
DECANOIC ACID (2M+NA)+Capric acidME2027862969-22.744172.1443
DEOXYCYTIDINE (2M+H)+DeoxycytidineME20278713711-1.012227.0919
DEOXYCYTIDINE (M+H)+DeoxycytidineME20278813711-0.926227.0924
DEOXYURIDINE (M+NA)+DeoxyuridineME20278913712-1.66228.0726
D-GLUCOSAMINE 6-SULFATE (M+H)+[-H2O]Glucosamine 6-sulfateME2027853330962-0.584259.0378
DIHYDROOROTIC ACID (M+H)+Dihydroorotic acidME2027901149667-0.907158.0349
DIPALMITOYL PHOSPHATIDYLETHANOLAMINE (M+H)+PE 16:0/16:0ME202791445468-24.717691.5231
DIPALMITOYL PHOSPHATIDYLETHANOLAMINE (M+NA)+PE 16:0/16:0ME202792445468-24.719691.5251
DODECENOYLCARNITINE (*) II M+CAR 12:1ME20279353481671-16.656342.2642
EICOSANOYLCARNITINE (*) (M+H)+CAR 20:0ME20279453477833-22.039455.3955
EICOSATRIENOYLCARNITINE (*) M+CAR 20:3ME20279587076458-21.171422.3201
EICOSENOYLCARNITINE (*) (M+H)+CAR 20:1ME20279671464507-21.824453.3785
ELAIDIC ACID (M+H)+Elaidic acidME202797637517-22.94282.2569
EPIBRASSINOLIDE [ISTD] (M+H)+24-epi-BrassinolideME202798115196-19.981480.3463
EPIBRASSINOLIDE [ISTD] (M+NA)+24-epi-BrassinolideME202799115196-19.981480.3465
ETHANOLAMINE (M+NA)+EthanolamineME202800700-0.57161.0537
ETHYLMALONIC ACID (M+NA)+Ethylmalonic acidME20280111756-2.617132.0416
FLUCYTOSINE (M+H)+FlucytosineME2028023366-0.667129.0355
GAMMA-BUTYROLACTONE (M+H)+gamma-ButyrolactoneME2028037302-2.06886.0367
GAMMA-L-GLUTAMYL-L-CYSTEINE (M+H)+gamma-GlutamylcysteineME202804123938-0.953250.0625
GAMMA-LINOLENIC ACID (M+NA)+gamma-Linolenic acidME2028055280933-22.858278.2231
GLUCOSAMINE 6-PHOSPHATE (M+H)+[-H2O]Glucosamine 6-phosphateME202806439217-0.582259.042
GLUCOSE (M+NA)+GlucoseME2028075793-0.732180.0639
GLUTAMIC ACID (M+H)+Glutamic acidME20280833032-0.721147.0536
GLUTAMIC ACID (M+H)+[-H2O]Glutamic acidME20280933032-0.581147.0509
GLUTAMINE (M+NA)+GlutamineME2028105961-0.575146.0671
GLUTARIC ACID (M+NA)+Glutaric acidME202811743-2.061132.0424
GLUTATHIONE OXIDIZED (M+H)+GlutathioneME20281265359-1.371612.1473
GLYCEROL MYRISTATE (M+H)+[-H2O]MG 14:0ME20281379050-22.116302.2415
GLYCEROL MYRISTATE (M+NA)+MG 14:0ME20281479050-22.156302.2448
GUANINE (M+H)+GuanineME202815764-0.904151.0473
GUANOSINE 5'-PHOSPHATE (M+H)+GMPME2028176804-0.978363.0579
GUANOSINE (M+H)+GuanosineME2028166802-1.831283.0927
HIPPURIC ACID (M+H)+Hippuric acidME202818464-4.85179.059
HIPPURIC ACID (M+NA)+Hippuric acidME202819464-4.848179.059
HISTAMINE (M+H)+HistamineME202820774-0.492111.0799
HISTAMINE (M+NA)+HistamineME202821774-0.564111.0815
HOMOGENTISIC ACID (M+H)+Homogentisic acidME202822780-2.083168.0397
HOMOVANILLIC ACID (M+H)+Homovanillic acidME2028231738-5.783182.0574
HYPOXANTHINE (M+H)+HypoxanthineME202824790-1.106136.0383
INOSINE 5'-PHOSPHATE (M+H)+IMPME2028278582-0.969348.0497
INOSINE (M+H)+InosineME2028256021-1.838268.0817
INOSINE (M+NA)+InosineME2028266021-1.741268.0814
ISOLEUCINE (M+NA)+IsoleucineME2028286306-1.482131.0937
KYNURENIC ACID (M+H)+Kynurenic acidME2028293845-5.019189.0433
KYNURENIC ACID (M+NA)+Kynurenic acidME2028303845-5.019189.0416
KYNURENINE (M+H)+KynurenineME202831161166-2.162208.0847
L-ALLOTHREONINE (M+H)+[-H2O]AllothreonineME20283299289-0.737119.0569
LANTHIONINE (M+H)+LanthionineME202838102950-0.607208.0485
LANTHIONINE (M+NA)+LanthionineME202839102950-0.574208.0482
L-ARGININE (M+H)+ArginineME2028336322-0.586174.1119
LAUROYLCARNITINE (M+H)+CAR 12:0ME202840168381-17.782343.2714
LEUCINE (M+H)+LeucineME2028416106-1.528131.0946
LEUKOTRIENE B4 (M+H)+LTB4ME2028425280492-20.796336.2286
LEUKOTRIENE B4 (M+H)+[-H2O]LTB4ME2028435280492-20.651336.2247
LEUKOTRIENE B4 (M+NA)+LTB4ME2028445280492-20.604336.2303
L-HISTIDINE (M+H)+HistidineME2028346274-0.555155.0689
L-HISTIDINE (M+NA)+HistidineME2028356274-0.576155.0694
LINOLEOYLCARNITINE (*) (M+H)+CAR 18:2ME2028456450015-20.837423.3355
LITHOCHOLIC ACID (M+NA)+Lithocholic acidME2028469903-22.29376.2936
L-METHIONINE SULFOXIMINE (M+NA)+Methionine sulfoximineME20283689034-0.649180.0568
L-TRYPTOPHAN-15N2 [ISTD] (M+H)+TryptophanME20283716217285-3.577206.0847
LYSINE (M+H)+LysineME2028475962-0.509146.1057
LYSINE (M+NA)+LysineME2028485962-0.545146.105
MALIC ACID (M+NA)+Malic acidME202849222656-0.733134.0232
METHIONINE (M+H)+MethionineME2028506137-0.96149.0506
METHYL BETA-D-GALACTOSIDE (M+NA)+Methyl beta-D-galactosideME20285194214-0.813194.0782
METHYL JASMONATE (M+H)+Methyl jasmonateME2028525281929-16.092224.1405
METHYL JASMONATE (M+NA)+Methyl jasmonateME2028535281929-16.096224.1421
MYRISTOYLCARNITINE (*) (M+H)+CAR 14:0ME2028543413344-19.733371.3038
N-ACETYL-ASPARTIC ACID (M+H)+N-Acetylaspartic acidME20285665065-0.963175.047
N-ACETYL-ASPARTIC ACID (M+H)+[-H2O]N-Acetylaspartic acidME20285765065-0.959175.0461
N-ACETYL-ASPARTIC ACID (M+NA)+N-Acetylaspartic acidME20285865065-0.977175.0476
N-ACETYL-D-GLUCOSAMINE (M+H)+N-Acetyl-D-glucosamineME202859446101-0.679221.0856
N-ACETYL-D-GLUCOSAMINE (M+H)+[-H2O]N-Acetyl-D-glucosamineME202860446101-0.586221.089
N-ACETYL-D-GLUCOSAMINE (M+NA)+N-Acetyl-D-glucosamineME202861446101-0.625221.0866
N-ACETYL-DL-METHIONINE (M+H)+[-H2O]N-AcetylmethionineME202863448580-4.101191.0609
N-ACETYL-D-TRYPTOPHAN (M+H)+N-Acetyl-D-tryptophanME202862439917-8.031246.1013
N-ACETYL-GLUTAMIC ACID (M+H)+N-Acetylglutamic acidME202864185-1.334189.0617
N-ACETYL-GLUTAMIC ACID (M+NA)+N-Acetylglutamic acidME202865185-1.308189.0601
N-ACETYL-L-LEUCINE (M+H)+N-AcetylleucineME20286675619-7.244173.1053
N-ACETYL-L-LEUCINE (M+NA)+N-AcetylleucineME20286775619-7.245173.1061
N-ACETYL-L-PHENYLALANINE (M+H)+N-AcetylphenylalanineME20286874839-7.763207.0912
N-ACETYL-L-PHENYLALANINE (M+NA)+N-AcetylphenylalanineME20286974839-7.8207.0914
N-ACETYLNEURAMINIC ACID (M+H)+N-Acetylneuraminic acidME202870444885-0.676309.1062
N-ACETYLSEROTONIN (M+H)+N-AcetylserotoninME202871903-5.018218.1071
N-ACETYLSEROTONIN (M+NA)+N-AcetylserotoninME202872903-5.012218.1094
NAD (M+H)+NAD+ME2028785893-0.997663.1023
N-CYCLOHEXYLFORMAMIDE (M+H)+N-CyclohexylformamideME20287313017-7.987127.0993
N-CYCLOHEXYLFORMAMIDE (M+NA)+N-CyclohexylformamideME20287413017-7.989127.0999
NICOTINAMIDE MONONUCLEOTIDE (M+H)+Nicotinamide ribotideME20287914180-0.66334.0505
NICOTINIC ACID (M+H)+Nicotinic acidME202880938-1.003123.0299
N-METHYL-ASPARTIC ACID (M+NA)+N-Methyl-D-aspartic acidME2028754376-0.604147.0558
N-OLEOYLGLYCINE (M+H)+N-Oleoyl glycineME2028766436908-22.579339.2749
N-OLEOYLGLYCINE (M+NA)+N-Oleoyl glycineME2028776436908-22.569339.2775
NONANOIC ACID (M+NA)+Pelargonic acidME2028818158-13.283158.1315
N(PAI)-METHYL-L-HISTIDINE (M+H)+3-MethylhistidineME20285564969-0.544169.0855
OCTACOSANOIC ACID (M+H)+Montanic acidME20288210470-23.338424.4259
OCTOPAMINE (M+H)+OctopamineME202883440266-0.675153.0796
OLEAMIDE (M+H)+OleamideME2028845283387-22.622281.2664
OLEIC ACID (M+H)+Oleic acidME202885445639-22.534282.2543
OLEIC ACID (M+NA)+Oleic acidME202886445639-22.531282.257
OLEOYLCARNITINE (*) (M+H)+CAR 18:1ME2028906441392-21.387425.3515
OLEOYL-GLYCEROL (M+H)+MG 18:1ME2028875319879-22.687356.2933
OLEOYL-GLYCEROL (M+H)+[-H2O]MG 18:1ME2028885319879-22.68356.2909
OLEOYL-GLYCEROL (M+NA)+MG 18:1ME2028895319879-22.717356.2935
OPHTHALMIC ACID (M+H)+Ophthalmic acidME2028917018721-1.209289.1266
ORNITHINE (M+H)+OrnithineME2028926262-0.521132.0895
PALMITOLEYLCARNITINE (*) M+CAR 16:1ME20289371464547-20.277398.3285
PALMITOYLCARNITINE (M+H)+CAR 16:0ME20289411953816-21.171399.3349
PANTOTHENIC ACID (M+H)+Pantothenic acidME2028956613-3.299219.111
PANTOTHENIC ACID (M+NA)+Pantothenic acidME2028966613-3.316219.1113
PHENETHYLAMINE (M+H)+PhenylethylamineME2028971001-2.723121.0881
PHENYLALANINE (M+H)+PhenylalanineME2028986140-2.449165.0788
PIMELIC ACID (M+H)+[-H2O]Pimelic acidME202899385-5.582160.0764
PIMELIC ACID (M+NA)+Pimelic acidME202900385-5.777160.0746
PROCOLLAGEN 5-HYDROXY-L-LYSINE (M+H)+-ME20290183228-0.599162.1004
PROCOLLAGEN 5-HYDROXY-L-LYSINE (M+H)+[-H2O]-ME20290283228-0.663162.1022
PROLINE (M+H)+ProlineME202903145742-0.712115.0617
PROPIONYLCARNITINE (*) (M+H)+CAR 3:0ME202904107738-1.594217.1306
PURINE (M+H)+PurineME2029051044-1.306120.0436
PUTRESCINE (M+H)+PutrescineME2029061045-0.48188.1006
PYRIDOXAL (M+H)+[-H2O]PyridoxalME2029071050-0.96167.0594
RAFFINOSE (M+K)+RaffinoseME202908439242-0.645504.1657
RAFFINOSE (M+NA)+RaffinoseME202909439242-0.646504.1678
RIBOFLAVIN (M+H)+RiboflavinME202910493570-7.687376.1403
RIBOFLAVIN (M+NA)+RiboflavinME202911493570-7.69376.1406
SARCOSINE (M+H)+SarcosineME2029121088-0.7489.0466
SELENOMETHIONINE (M+H)+SelenomethionineME202913105024-1.282196.9921
SERINE (M+H)+SerineME202914617-0.954105.0411
SEROTONIN (M+H)+SerotoninME2029155202-1.635176.0955
SN-GLYCERO-3-PHOSPHOCHOLINE (M+H)+sn-Glycero-3-phosphocholineME202916439285-0.671257.1015
SPERMIDINE (M+H)+SpermidineME2029171102-0.478145.1579
SPHINGANINE (M+H)+SphinganineME202918644260-20.695301.2986
SPHINGOSINE (M+H)+SphingosineME2029195280335-20.254299.2814
SPHINGOSINE (M+H)+[-H2O]SphingosineME2029205280335-20.253299.2851
STACHYOSE (M+K)+StachyoseME202921439531-0.647666.2195
STACHYOSE (M+NA)+StachyoseME202922439531-0.739666.2212
STEAROYLCARNITINE (*) (M+H)+CAR 18:0ME20292352922056-21.735427.3667
SUBERIC ACID (M+H)+Suberic acidME20292410457-8.345174.0894
SUBERIC ACID (M+H)+[-H2O]Suberic acidME20292510457-8.345174.0892
SUCROSE (M+NA)+SucroseME2029265988-0.652342.115
SULFADIMETHOXINE (M+H)+SulfadimethoxineME2029275323-9.418310.075
SULFADIMETHOXINE (M+NA)+SulfadimethoxineME2029285323-9.417310.0748
TAUROLITHOCHOLIC ACID (2M+NA)+Taurolithocholic acidME202929439763-21.871483.2966
TAUROLITHOCHOLIC ACID (M+NA)+Taurolithocholic acidME202930439763-21.693483.3028
TETRADECENOYLCARNITINE (*) M+CAR 14:1ME20293122833575-18.818370.2965
THEOBROMINE (M+NA)+TheobromineME2029325429-3.416180.0637
THIAMIN M+ThiamineME2029331130-0.677265.1094
THREONINE (M+H)+[-H2O]ThreonineME2029346288-0.826119.0571
THROMBOXANE B2 (M+H)+TXB2ME2029355283137-16.839370.2404
THYMIDINE (M+H)+ThymidineME2029365789-2.784242.093
THYMIDINE (M+NA)+ThymidineME2029375789-2.778242.0933
THYMINE (M+H)+ThymineME2029381135-1.7126.0431
TRYPTOPHAN (M+H)+TryptophanME2029396305-3.578204.0891
TRYPTOPHAN (M+NA)+TryptophanME2029406305-3.577204.0904
TYROSINE (M+H)+TyrosineME2029416057-1.307181.0737
TYROSINE (M+NA)+TyrosineME2029426057-1.292181.0735
URACIL (M+H)+UracilME2029431174-0.921112.026
URIC ACID (M+H)+Uric acidME2029441175-0.999168.0281
URIDINE-5-MONOPHOSPHATE (M+H)+UMPME2029476030-0.843324.0364
URIDINE (M+H)+UridineME2029456029-1.358244.0676
URIDINE (M+NA)+UridineME2029466029-1.362244.0696
URSODIOL (M+NA)+Ursodeoxycholic acidME20294831401-21.681392.287
VALINE (M+H)+ValineME2029496287-0.86117.0776
XANTHINE (M+H)+XanthineME2029501188-1.265152.0324
XANTHOSINE (M+H)+XanthosineME20295164959-2.317284.0766
XANTHOSINE (M+NA)+XanthosineME20295264959-2.315284.0764
XANTHURENIC ACID (M+H)+Xanthurenic acidME2029535699-4.613205.0382
XANTHURENIC ACID (M+NA)+Xanthurenic acidME2029545699-4.623205.0383
ZEATIN [ISTD] (M+H)+trans-ZeatinME202955449093-3.863219.1128


Analysis: Reversed phase NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
18:0 LYSO-PE (M-H)-LPE 18:0ME2029589547068-22.651481.3184
1-METHYLURIC ACID (2M-H)-1-Methyluric acidME20295669726-2.184182.0463
1-METHYLURIC ACID (M-H)-1-Methyluric acidME20295769726-2.18182.0423
2'-DEOXYINOSINE (M+CL)-DeoxyinosineME20295965058-2.067252.0871
2-METHYLMALEIC ACID (M-H)-Citraconic acidME202960643798-1.834130.0268
3-HYDROXY-3-METHYLGLUTARIC ACID (M-H)-3-Hydroxymethylglutaric acidME2029611662-1.525162.0523
3-METHYL-2-OXOPENTANOIC ACID (M-H)-3-Methyl-2-oxovaleric acidME202962440877-4.411130.0632
3-PHOSPHOGLYCERIC ACID (M-H)-3-Phosphoglyceric acidME202963439183-0.765185.9947
3-SULFINO-L-ALANINE (M-H)-3-Sulfino-alanineME202964109-0.617153.0077
4-ACETAMIDOBUTANOIC ACID (M-H)-4-Acetamidobutanoic acidME20296518189-1.803145.0732
4-HYDROXYBENZOIC ACID (M-H)-4-Hydroxybenzoic acidME202966135-4.056138.0315
4-METHYL-2-OXOPENTANOIC ACID (M-H)-KetoleucineME20296770-4.826130.0633
4-NITROPHENOL (M-H)-4-NitrophenolME202968980-7.041139.0266
4-PYRIDOXIC ACID (M-H)-4-Pyridoxic acidME2029696723-1.85183.0527
5-AMINOPENTANOIC ACID (M-H)-5-Aminopentanoic acidME202971138-0.708117.0776
5'-METHYLTHIOADENOSINE (M+CL)-5'-MethylthioadenosineME202970439176-4.43297.0906
ADENOSINE 5'-MONOPHOSPHATE (2M-H)+AMPME2029726083-0.928347.0613
ADENOSINE 5'-MONOPHOSPHATE (M-H)-AMPME2029736083-0.925347.0623
ADIPIC ACID (M-H)-Adipic acidME202974196-3.579146.0577
ALLANTOIN (M-H)-AllantoinME202975439714-0.633158.0431
ALPHA-KETO-GLUTARIC ACID (M-H)-2-Oxoglutaric acidME20297651-0.91146.0217
ARACHIDIC ACID (M-H)-Arachidic acidME20297710467-23.597312.3034
ARACHIDONIC ACID (M-H)-Arachidonic acidME202978444899-22.699304.2414
ASPARAGINE (M-H)-AsparagineME2029796267-0.577132.0539
ASPARTIC ACID (M-H)-Aspartic acidME2029805960-0.593133.0374
AZELAIC ACID (M-H)-Azelaic acidME2029812266-10.796188.1047
BEHENIC ACID (M-H)-Behenic acidME2029828215-24.119340.335
BENZOIC ACID (M-H)-Benzoic acidME202983243-4.926122.0366
CIS-11-EICOSENOIC ACID (M-H)-cis-Gondoic acidME2029845282768-23.271310.2876
CYSTINE (M-H)-CystineME2029856857538-0.591240.0249
DEHYDROASCORBIC ACID (M-H)-L-Dehydroascorbic acidME202988440667-0.714174.0172
DEOXYURIDINE (M+CL)-DeoxyuridineME20298913712-1.531228.076
D-GLUCOSAMINE (M+CL)-GlucosamineME202986439213-0.588179.0794
D-GLUCOSE 6-PHOSPHATE (M-H)-Glucose 6-phosphateME2029875958-0.639260.0315
DOCOSAHEXAENOIC ACID (M-H)-Docosahexaenoic acidME202990445580-22.689328.2422
DUMP (M-H)-dUMPME20299165063-0.983308.0419
EPIBRASSINOLIDE [ISTD] (M+CL)-24-epi-BrassinolideME202992115196-19.904480.3463
FUMARIC ACID (M-H)-Fumaric acidME202993444972-1.219116.011
GLUCARIC ACID (M-H)-Glucaric acidME20299433037-0.654210.0386
GLUCONIC ACID (M-H)-Gluconic acidME20299510690-0.639196.0586
GLUCOSE (M+CL)-GlucoseME2029965793-0.619180.0643
GLUCURONIC ACID (M+CL)-Glucuronic acidME20299794715-0.629194.0439
GLUCURONIC ACID (M-H)-Glucuronic acidME20299894715-0.62194.042
GLUTAMIC ACID (M-H)-Glutamic acidME20299933032-0.627147.0536
GLUTAMINE (M-H)-GlutamineME2030005961-0.614146.0698
GLUTARIC ACID (M-H)-Glutaric acidME203001743-2.018132.0419
GLYCINE (M-H)-GlycineME203002750-0.58475.0334
GUANOSINE (M-H)-GuanosineME2030036802-1.798283.0922
HEPTADECANOIC ACID (M-H)-Margaric acidME20300410465-23.01270.2557
HEXACOSANOIC ACID (M-H)-Cerotic acidME20300510469-25.791396.3975
HOMOSERINE (M-H)-HomoserineME20300612647-0.588119.0579
HYODEOXYCHOLIC ACID (M-H)-Hyodeoxycholic acidME2030075283820-22.865392.2959
INOSINE (M+CL)-InosineME2030086021-1.808268.082
INOSINE (M-H)-InosineME2030096021-1.814268.0816
ISOCITRIC ACID (M-H)-Isocitric acidME2030105318532-0.77192.0271
ISOLEUCINE (M-H)-IsoleucineME2030116306-1.489131.0942
KYNURENIC ACID (M-H)-Kynurenic acidME2030123845-4.984189.0422
L-[15N]ANTHRANILIC ACID [ISTD] (M-H)-2-Aminobenzoic acidME203015227-5.313138.0445
LAURIC ACID (M-H)-Lauric acidME2030163893-21.775200.178
L-HISTIDINE (M-H)-HistidineME2030136274-0.574155.0696
LIGNOCERIC ACID (M-H)-Lignoceric acidME20301711197-24.828368.3662
LINOLEIC ACID (M-H)-Linoleic acidME2030185280450-22.72280.2411
L-TRYPTOPHAN-15N2 [ISTD] (M-H)-TryptophanME20301416217285-3.54206.084
LYSINE (M-H)-LysineME2030195962-0.507146.1052
METHYL BETA-D-GALACTOSIDE (M+CL)-Methyl beta-D-galactosideME20302094214-0.698194.0786
MYRISTIC ACID (M-H)-Myristic acidME20302111005-22.447228.2092
MYRISTOLEIC ACID (M-H)-Myristoleic acidME2030225281119-22.108226.1937
N-ACETYL-ASPARTIC ACID (M-H)-N-Acetylaspartic acidME20302465065-0.955175.0482
N-ACETYL-D-GLUCOSAMINE (M+CL)-N-Acetyl-D-glucosamineME203025446101-0.661221.0906
N-ACETYL-DL-METHIONINE (M-H)-N-AcetylmethionineME203026448580-4.049191.0616
N-ACETYL--GLUTAMIC ACID (M-H)-N-Acetylglutamic acidME203023185-1.286189.064
N-ACETYL-L-ALANINE (M-H)-N-AcetylalanineME20302788064-1.465131.0581
N-ACETYL-L-LEUCINE (M-H)-N-AcetylleucineME20302875619-7.19173.1047
N-ACETYLNEURAMINIC ACID (M-H)-N-Acetylneuraminic acidME203029444885-0.607309.107
N-METHYL-GLUTAMIC ACID (M-H)-N-Methyl-glutamic acidME203030439377-0.702161.0673
OLEIC ACID (M-H)-Oleic acidME203031445639-22.914282.2572
OROTIC ACID (M-H)-Orotic acidME203032967-0.704156.017
OXALOACETIC ACID (M-H)-[-H2O]Oxaloacetic acidME203033970-0.515132.0034
PALMITIC ACID (M-H)-Palmitic acidME203034985-22.837256.241
PALMITOLEIC ACID (M-H)-Palmitoleic acidME203035445638-22.58254.2256
PANTOTHENIC ACID (M+CL)-Pantothenic acidME2030366613-3.289219.1111
PANTOTHENIC ACID (M-H)-Pantothenic acidME2030376613-3.282219.1099
PHENYLALANINE (M-H)-PhenylalanineME2030386140-2.455165.0787
PROPENOIC ACID (M-H)-Propenoic acidME2030396581-1.23672.0217
PYRUVIC ACID (M-H)-Pyruvic acidME2030401060-0.72488.0163
RAFFINOSE (M+CL)-RaffinoseME203041439242-0.671504.1711
RIBOFLAVIN (M+CL)-RiboflavinME203042493570-7.639376.1396
RIBOSE (M+CL)-RiboseME2030435779-0.662150.053
SALICYLIC ACID (M-H)-Salicylic acidME203044338-3.748138.0316
SERINE (M-H)-SerineME203045617-0.572105.043
SN-GLYCERO-3-PHOSPHOCHOLINE (M+CL)-sn-Glycero-3-phosphocholineME203046439285-0.611257.0995
STACHYOSE (M+CL)-StachyoseME203047439531-0.674666.2248
STEARIC ACID (M-H)-Stearic acidME2030485281-23.176284.2723
SUBERIC ACID (M-H)-Suberic acidME20304910457-8.308174.0889
SUCCINIC ACID (M-H)-Succinic acidME2030501110-1.308118.0268
SUCROSE (M+CL)-SucroseME2030515988-0.647342.1168
TAURINE (M-H)-TaurineME2030521123-0.589125.0149
THYMIDINE (M+CL)-ThymidineME2030535789-2.724242.091
THYMIDINE (M-H)-ThymidineME2030545789-2.727242.0903
TRANS-ACONITIC ACID (M-H)-trans-Aconitic acidME203055444212-1.216174.0162
TRYPTOPHAN (2M-H)-TryptophanME2030566305-3.546204.0885
TRYPTOPHAN (M-H)-TryptophanME2030576305-3.545204.0901
TYROSINE (M-H)-TyrosineME2030586057-1.278181.0733
UDP-N-ACETYL-D-GALACTOSAMINE (M-H)-UDP-N-acetylgalactosamineME20305923724461-0.912607.082
URIC ACID (M-H)-Uric acidME2030601175-0.978168.0273
URIDINE-5-MONOPHOSPHATE #2 (M-H)-UMPME2030636030-0.847324.0391
URIDINE-5-MONOPHOSPHATE (M-H)-UMPME2030646030-0.817324.0421
URIDINE (M+CL)-UridineME2030616029-1.353244.0706
URIDINE (M-H)-UridineME2030626029-1.386244.0699
XANTHINE (M-H)-XanthineME2030651188-1.247152.033
XANTHOSINE (M-H)-XanthosineME20306664959-2.338284.0764
XANTHURENIC ACID (M-H)-Xanthurenic acidME2030675699-4.593205.0377
ZEATIN [ISTD] (M+CL)-trans-ZeatinME203068449093-3.82219.1126
ZEATIN [ISTD] (M-H)-trans-ZeatinME203069449093-3.817219.1122


Analysis: C18 NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
CerP 34:1; [M-H]-@5.95CerP 34:1;O2ME203081--5.95-
CL 64:3; [M-2H](2-)@8.90CL 64:3ME203070--8.9-
CL 64:4; [M-2H](2-)@8.62CL 64:4ME203071--8.62-
CL 66:4; [M-2H](2-)@8.93CL 66:4ME203072--8.93-
CL 66:5; [M-2H](2-)@8.69CL 66:5ME203073--8.69-
CL 68:4; [M-2H](2-)@9.19CL 68:4ME203074--9.19-
CL 68:5; [M-2H](2-)@8.99CL 68:5ME203075--8.99-
CL 70:4; [M-2H](2-)@9.43CL 70:4ME203076--9.43-
CL 70:5; [M-2H](2-)@9.27CL 70:5ME203077--9.27-
CL 70:6; [M-2H](2-)@9.05CL 70:6ME203078--9.05-
CL 70:7; [M-2H](2-)@8.84CL 70:7ME203079--8.84-
CL 72:7; [M-2H](2-)@9.10CL 72:7ME203080--9.1-
FFA(16:0)Palmitic acidME203082----
FFA(18:0)Stearic acidME2030835281---
FFA(18:1)Octadecenoic acidME203084----
FFA(18:2)Octadecadienoic acidME203085----
FFA(20:0)Arachidic acidME20308610467---
FFA(20:1)Heneicosenoic acidME203087----
FFA(20:2)Eicosadienoic acidME203088----
FFA(20:4) Arachidonic acidArachidonic acidME203089----
FFA(22:0)Behenic acidME2030908215---
FFA(22:1)Docosenoic acidME203091----
FFA(22:2)Docosadienoic acidME203092----
FFA(22:3)Docosatrienoic acidME203093----
FFA(24:0)Lignoceric acidME20309411197---
FFA(24:1)Tetracosenoic acidME203095----
FFA(24:2)Tetracosadienoic acidME203096----
FFA(24:3)Tetracosatrienoic acidME20309752921854---
lysoPE 16:0; [M-H]-@1.64LPE 16:0ME203226--1.64-
lysoPE 16:1; [M-H]-@1.17LPE 16:1ME203227--1.17-
lysoPE 17:0; [M-H]-@2.05LPE 17:0ME20322852925149-2.05-
lysoPE 18:0; [M-H]-@2.49LPE 18:0ME203229--2.49-
lysoPE 18:1; [M-H]-@1.82LPE 18:1ME203230--1.82-
lysoPE 18:2; [M-H]-@1.35LPE 18:2ME203231--1.35-
lysoPE 18:3; [M-H]-@1.02LPE 18:3ME203232--1.02-
lysoPE 20:3; [M-H]-@1.64LPE 20:3ME203233--1.64-
lysoPE 20:4; [M-H]-@1.33LPE 20:4ME203234--1.33-
lysoPE 22:5; [M-H]-@1.54LPE 22:5ME203235--1.54-
lysoPE 22:6; [M-H]-@1.32LPE 22:6ME203236--1.32-
N-(hexadecanoyl)-sphing-4-enine; [M-H]-@6.87Cer 18:1;O2/16:0ME2030985283564-6.87-
PC 28:0; [M-Ac-H]-@5.40PC 28:0ME203099--5.4-
PC 28:1; [M-Ac-H]-@4.81PC 28:1ME203100--4.81-
PC 30:0; [M-Ac-H]-@6.10PC 30:0ME203101--6.1-
PC 30:1; [M-Ac-H]-@5.59PC 30:1ME203102--5.59-
PC 30:2; [M-Ac-H]-@5.02PC 30:2ME203103--5.02-
PC 31:2; [M-Ac-H]-@5.40PC 31:2ME203104--5.4-
PC 32:0; [M-Ac-H]-@6.83PC 32:0ME203105--6.83-
PC 32:1; [M-Ac-H]-@6.27PC 32:1ME203106--6.27-
PC 32:2; [M-Ac-H]-@5.73PC 32:2ME203107--5.73-
PC 32:3; [M-Ac-H]-@5.26PC 32:3ME203108--5.26-
PC 32:4; [M-Ac-H]-@4.82PC 32:4ME203109--4.82-
PC 33:0; [M-Ac-H]-@7.05PC 33:0ME203110--7.05-
PC 33:1; [M-Ac-H]-@6.60PC 33:1ME203111--6.6-
PC 33:2; [M-Ac-H]-@6.10PC 33:2ME203112--6.1-
PC 34:1; [M-Ac-H]-@6.91PC 34:1ME203113--6.91-
PC 34:2; [M-Ac-H]-@6.33PC 34:2ME203114--6.33-
PC 34:3; [M-Ac-H]-@5.91PC 34:3ME203115--5.91-
PC 34:4; [M-Ac-H]-@5.56PC 34:4ME203116--5.56-
PC 34:5; [M-Ac-H]-@5.27PC 34:5ME203117--5.27-
PC 34:6; [M-Ac-H]-@4.72PC 34:6ME203118--4.72-
PC 35:1; [M-Ac-H]-@7.31PC 35:1ME203119--7.31-
PC 35:2; [M-Ac-H]-@6.75PC 35:2ME203120--6.75-
PC 36:1; [M-Ac-H]-@7.58PC 36:1ME203121--7.58-
PC 36:2; [M-Ac-H]-@6.98PC 36:2ME203122--6.98-
PC 36:3; [M-Ac-H]-@6.53PC 36:3ME203123--6.53-
PC 36:5; [M-Ac-H]-@5.84PC 36:5ME203124--5.84-
PC 36:6; [M-Ac-H]-@5.43PC 36:6ME203125--5.43-
PC 37:3; [M-Ac-H]-@6.88PC 37:3ME203126--6.88-
PC 37:4; [M-Ac-H]-@6.66PC 37:4ME203127--6.66-
PC 38:1; [M-Ac-H]-@8.27PC 38:1ME203128--8.27-
PC 38:2; [M-Ac-H]-@7.75PC 38:2ME203129--7.75-
PC 38:3; [M-Ac-H]-@7.31PC 38:3ME203130--7.31-
PC 38:4; [M-Ac-H]-@6.99PC 38:4ME203131--6.99-
PC 38:5; [M-Ac-H]-@6.47PC 38:5ME203132--6.47-
PC 38:6; [M-Ac-H]-@6.12PC 38:6ME203133--6.12-
PC 38:7; [M-Ac-H]-@5.67PC 38:7ME203134--5.67-
PC 40:1; [M-Ac-H]-@8.89PC 40:1ME203135--8.89-
PC 40:2; [M-Ac-H]-@8.44PC 40:2ME203136--8.44-
PC 40:4; [M-Ac-H]-@7.56PC 40:4ME203137--7.56-
PC 40:5; [M-Ac-H]-@7.22PC 40:5ME203138--7.22-
PC 40:6; [M-Ac-H]-@6.88PC 40:6ME203139--6.88-
PC 40:7; [M-Ac-H]-@6.37PC 40:7ME203140--6.37-
PC 42:1; [M-Ac-H]-@9.45PC 42:1ME203141--9.45-
PC 42:2; [M-Ac-H]-@9.04PC 42:2ME203142--9.04-
PE 30:0; [M-H]-@6.20PE 30:0ME203143--6.2-
PE 30:1; [M-H]-@5.60PE 30:1ME203144--5.6-
PE 30:2; [M-H]-@5.08PE 30:2ME203145--5.08-
PE 32:0; [M-H]-@6.81PE 32:0ME203146--6.81-
PE 32:1; [M-H]-@6.25PE 32:1ME203147--6.25-
PE 32:2; [M-H]-@5.76PE 32:2ME203148--5.76-
PE 32:3; [M-H]-@5.32PE 32:3ME203149--5.32-
PE 33:0; [M-H]-@7.01PE 33:0ME203150--7.01-
PE 33:2; [M-H]-@6.06PE 33:2ME203151--6.06-
PE 34:1; [M-H]-@6.88PE 34:1ME203152--6.88-
PE 34:2; [M-H]-@6.43PE 34:2ME203153--6.43-
PE 34:3; [M-H]-@5.96PE 34:3ME203154--5.96-
PE 34:4; [M-H]-@5.52PE 34:4ME203155--5.52-
PE 34:5; [M-H]-@5.15PE 34:5ME203156--5.15-
PE 35:1; [M-H]-@7.14PE 35:1ME203157--7.14-
PE 35:2; [M-H]-@6.74PE 35:2ME203158--6.74-
PE 35:3; [M-H]-@6.27PE 35:3ME203159--6.27-
PE 35:4; [M-H]-@6.09PE 35:4ME203160--6.09-
PE 36:0; [M-H]-@7.96PE 36:0ME203161--7.96-
PE 36:1; [M-H]-@7.45PE 36:1ME203162--7.45-
PE 36:2; [M-H]-@7.02PE 36:2ME203163--7.02-
PE 36:3; [M-H]-@6.58PE 36:3ME203164--6.58-
PE 36:4; [M-H]-@6.28PE 36:4ME203165--6.28-
PE 36:5; [M-H]-@5.88PE 36:5ME203166--5.88-
PE 36:6; [M-H]-@5.50PE 36:6ME203167--5.5-
PE 37:1; [M-H]-@7.66PE 37:1ME203168--7.66-
PE 37:2; [M-H]-@7.33PE 37:2ME203169--7.33-
PE 37:4; [M-H]-@6.72PE 37:4ME203170--6.72-
PE 38:1; [M-H]-@8.01PE 38:1ME203171--8.01-
PE 38:2; [M-H]-@7.60PE 38:2ME203172--7.6-
PE 38:3; [M-H]-@7.29PE 38:3ME203173--7.29-
PE 38:5; [M-H]-@6.55PE 38:5ME203174--6.55-
PE 38:6; [M-H]-@6.16PE 38:6ME203175--6.16-
PE 38:7; [M-H]-@5.66PE 38:7ME203176--5.66-
PE 40:1; [M-H]-@8.52PE 40:1ME203177--8.52-
PE 40:4; [M-H]-@7.58PE 40:4ME203178--7.58-
PE 40:5; [M-H]-@7.18PE 40:5ME203179--7.18-
PE 40:7; [M-H]-@6.45PE 40:7ME203180--6.45-
PE 40:8; [M-H]-@6.03PE 40:8ME203181--6.03-
PE 42:1; [M-H]-@9.00PE 42:1ME203182--9-
PG 32:0; [M-H]-@5.76PG 32:0ME203183--5.76-
PG 32:1; [M-H]-@5.22PG 32:1ME203184--5.22-
PG 32:2; [M-H]-@4.71PG 32:2ME203185--4.71-
PG 33:0; [M-H]-@6.02PG 33:0ME203186--6.02-
PG 34:1; [M-H]-@5.86PG 34:1ME203187--5.86-
PG 34:2; [M-H]-@5.34PG 34:2ME203188--5.34-
PG 34:3; [M-H]-@4.89PG 34:3ME203189--4.89-
PG 36:0; [M-H]-@6.90PG 36:0ME203190--6.9-
PG 36:2; [M-H]-@5.98PG 36:2ME203191--5.98-
PG 36:3; [M-H]-@5.51PG 36:3ME203192--5.51-
PG 36:4; [M-H]-@5.18PG 36:4ME203193--5.18-
PG 36:5; [M-H]-@4.87PG 36:5ME203194--4.87-
PG 36:6; [M-H]-@4.46PG 36:6ME203195--4.46-
PG 38:5; [M-H]-@5.55PG 38:5ME203196--5.55-
PG 38:6; [M-H]-@5.14PG 38:6ME203197--5.14-
PI 32:1; [M-H]-@5.01PI 32:1ME203198--5.01-
PI 34:1; [M-H]-@5.71PI 34:1ME203199--5.71-
PI 34:2; [M-H]-@5.15PI 34:2ME203200--5.15-
PI 34:3; [M-H]-@4.67PI 34:3ME203201--4.67-
PI 36:2; [M-H]-@5.84PI 36:2ME203202--5.84-
PI 36:3; [M-H]-@5.31PI 36:3ME203203--5.31-
PI 36:4; [M-H]-@5.00PI 36:4ME203204--5-
PI 36:5; [M-H]-@4.67PI 36:5ME203205--4.67-
PI 38:3; [M-H]-@6.05PI 38:3ME203206--6.05-
PI 38:4; [M-H]-@5.88PI 38:4ME203207--5.88-
PI 38:5; [M-H]-@5.31PI 38:5ME203208--5.31-
PI 38:6; [M-H]-@4.91PI 38:6ME203209--4.91-
plasmenyl-PE 32:1; [M-H]-@6.66PE P-32:1ME203237--6.66-
plasmenyl-PE 34:0; [M-H]-@7.33PE P-34:0ME203238--7.33-
plasmenyl-PE 34:1; [M-H]-@7.14PE P-34:1ME203239--7.14-
plasmenyl-PE 34:2; [M-H]-@6.77PE P-34:2ME203240--6.77-
plasmenyl-PE 34:3; [M-H]-@6.42PE P-34:3ME203241--6.42-
plasmenyl-PE 36:2; [M-H]-@7.31PE P-36:2ME203242--7.31-
plasmenyl-PE 36:3; [M-H]-@7.02PE P-36:3ME203243--7.02-
plasmenyl-PE 36:4; [M-H]-@6.70PE P-36:4ME203244--6.7-
plasmenyl-PE 36:5; [M-H]-@6.33PE P-36:5ME203245--6.33-
plasmenyl-PE 38:1; [M-H]-@8.35PE P-38:1ME203246--8.35-
plasmenyl-PE 38:2; [M-H]-@7.97PE P-38:2ME203247--7.97-
plasmenyl-PE 38:3; [M-H]-@7.56PE P-38:3ME203248--7.56-
plasmenyl-PE 38:4; [M-H]-@7.33PE P-38:4ME203249--7.33-
plasmenyl-PE 38:5; [M-H]-@6.86PE P-38:5ME203250--6.86-
plasmenyl-PE 40:4; [M-H]-@7.83PE P-40:4ME203251--7.83-
plasmenyl-PE 40:6; [M-H]-@7.25PE P-40:6ME203252--7.25-
plasmenyl-PE 42:5; [M-H]-@7.93PE P-42:5ME203253--7.93-
plasmenyl-PE 42:6; [M-H]-@7.82PE P-42:6ME203254--7.82-
PS 32:1; [M-H]-@5.14PS 32:1ME203210--5.14-
PS 32:2; [M-H]-@4.60PS 32:2ME203211--4.6-
PS 34:1; [M-H]-@5.83PS 34:1ME203212--5.83-
PS 34:2; [M-H]-@5.26PS 34:2ME203213--5.26-
PS 34:3; [M-H]-@4.80PS 34:3ME203214--4.8-
PS 36:1; [M-H]-@6.40PS 36:1ME203215--6.4-
PS 36:2; [M-H]-@5.98PS 36:2ME203216--5.98-
PS 36:3; [M-H]-@5.48PS 36:3ME203217--5.48-
PS 36:4; [M-H]-@5.01PS 36:4ME203218--5.01-
PS 36:5; [M-H]-@4.74PS 36:5ME203219--4.74-
PS 38:4; [M-H]-@5.96PS 38:4ME203220--5.96-
PS 38:5; [M-H]-@5.45PS 38:5ME203221--5.45-
PS 38:6; [M-H]-@4.95PS 38:6ME203222--4.95-
PS 40:10; [M-H]-@4.02PS 40:10ME203223--4.02-
PS 40:8; [M-H]-@4.88PS 40:8ME203224--4.88-
PS 40:9; [M-H]-@4.46PS 40:9ME203225--4.46-


Analysis: C18 POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
CE(16:1); [M+NH4]+@10.67CE 16:1ME203255--10.67-
CE(18:1); [M+NH4]+@10.90CE 18:1ME2032565283632-10.9-
CE(18:2); [M+NH4]+@10.68CE 18:2ME2032575287939-10.68-
CE(18:3); [M+NH4]+@10.45CE 18:3ME2032586436907-10.45-
CE(20:4); [M+NH4]+@11.31CE 20:4ME2032596479222-11.31-
CE(20:5); [M+NH4]+@10.33CE 20:5ME20326010372299-10.33-
CE(22:6); [M+NH4]+@10.47CE 22:6ME20326114274978-10.47-
DG 26:1; [M+NH4]+@5.56DG 26:1ME203262--5.56-
DG 28:1; [M+NH4]+@6.25DG 28:1ME20326356936297-6.25-
DG 28:2; [M+NH4]+@5.74DG 28:2ME20326453477973-5.74-
DG 30:0; [M+NH4]+@7.39DG 30:0ME203265--7.39-
DG 30:1; [M+NH4]+@6.88DG 30:1ME203266--6.88-
DG 30:2; [M+NH4]+@6.39DG 30:2ME203267--6.39-
DG 31:1; [M+NH4]+@7.13DG 31:1ME203268--7.13-
DG 31:2; [M+NH4]+@6.72DG 31:2ME203269--6.72-
DG 32:0; [M+NH4]+@7.93DG 32:0ME203270--7.93-
DG 32:1; [M+NH4]+@7.44DG 32:1ME203271--7.44-
DG 32:2; [M+NH4]+@7.11DG 32:2ME203272--7.11-
DG 32:3; [M+NH4]+@6.62DG 32:3ME203273--6.62-
DG 33:1; [M+NH4]+@7.67DG 33:1ME203274--7.67-
DG 33:2; [M+NH4]+@7.32DG 33:2ME203275--7.32-
DG 34:0; [M+NH4]+@8.40DG 34:0ME203276--8.4-
DG 34:2; [M+NH4]+@7.58DG 34:2ME203277--7.58-
DG 34:3; [M+NH4]+@7.18DG 34:3ME203278--7.18-
DG 34:4; [M+NH4]+@6.80DG 34:4ME203279--6.8-
DG 34:5; [M+NH4]+@6.51DG 34:5ME203280--6.51-
DG 35:1; [M+NH4]+@8.20DG 35:1ME203281--8.2-
DG 35:2; [M+NH4]+@7.85DG 35:2ME203282--7.85-
DG 35:3; [M+NH4]+@7.45DG 35:3ME203283--7.45-
DG 36:0; [M+NH4]+@8.86DG 36:0ME203284--8.86-
DG 36:1; [M+NH4]+@8.46DG 36:1ME203285--8.46-
DG 36:2; [M+NH4]+@8.10DG 36:2ME203286--8.1-
DG 36:3; [M+NH4]+@7.67DG 36:3ME203287--7.67-
DG 36:4; [M+NH4]+@7.38DG 36:4ME203288--7.38-
DG 36:5; [M+NH4]+@7.02DG 36:5ME203289--7.02-
DG 36:6; [M+NH4]+@6.73DG 36:6ME203290--6.73-
DG 37:1; [M+NH4]+@8.68DG 37:1ME203291--8.68-
DG 38:1; [M+NH4]+@8.90DG 38:1ME203292--8.9-
DG 38:2; [M+NH4]+@8.56DG 38:2ME203293--8.56-
DG 38:4; [M+NH4]+@7.98DG 38:4ME203294--7.98-
DG 38:5; [M+NH4]+@7.63DG 38:5ME203295--7.63-
DG 38:6; [M+NH4]+@7.28DG 38:6ME203296--7.28-
DG 38:7; [M+NH4]+@6.89DG 38:7ME203297--6.89-
DG 40:2; [M+NH4]+@9.00DG 40:2ME203298--9-
DG 40:6; [M+NH4]+@7.72DG 40:6ME203299--7.72-
DG 40:8; [M+NH4]+@7.18DG 40:8ME203300--7.18-
lysoPC 14:0; [M+H]+@1.21LPC 14:0ME203399--1.21-
lysoPC 16:0; [M+H]+@1.62LPC 16:0ME203400--3.2-
lysoPC 16:0; [M+H]+@3.20LPC 16:0ME203401--3.2-
lysoPC 18:0; [M+H]+@2.51LPC 18:0ME203402--2.51-
lysoPC 18:1; [M+Na]+@2.48LPC 18:1ME203403--2.48-
lysoPC 18:2; [M+H]+@1.37LPC 18:2ME203404--1.37-
lysoPC 19:0; [M+H]+@3.00LPC 19:0ME20340524779472-3-
lysoPC 20:0; [M+H]+@3.47LPC 20:0ME20340624779473-3.47-
lysoPC 20:1; [M+H]+@2.73LPC 20:1ME203407--2.73-
lysoPC 20:3; [M+Na]+@1.60LPC 20:3ME203408--1.6-
lysoPC 24:0; [M+H]+@5.41LPC 24:0ME20340924779481-5.41-
lysoPE 18:0; [M+H]+@2.54LPE 18:0ME203410--2.54-
lysoPE 20:0; [M+H]+@3.50LPE 20:0ME203411--3.5-
lysoPE 20:1; [M+H]+@2.68LPE 20:1ME203412--2.68-
lysoPE 20:5; [M+H]+@1.01LPE 20:5ME203413--1.01-
MG 17:0; [M+Li]+@3.20MG 17:0ME203301107036-3.2-
PC 32:2; [M+H]+@5.65PC 32:2ME203302--5.65-
PC 36:4; [M+H]+@6.10PC 36:4ME203303--6.1-
PC 36:8; [M+H]+@5.15PC 36:8ME203304--5.15-
PC 40:10; [M+H]+@5.66PC 40:10ME203305--5.66-
PE 28:0; [M+H]+@5.47PE 28:0ME203306--5.47-
PE 28:1; [M+H]+@4.90PE 28:1ME203307--4.9-
PE 31:1; [M+H]+@5.95PE 31:1ME203308--5.95-
PE 33:1; [M+H]+@6.53PE 33:1ME203309--6.53-
PE 38:4; [M+H]+@7.07PE 38:4ME203310--7.07-
plasmenyl-PC 18:0; [M+Na]+@1.71PC P-18:0ME203414--1.71-
plasmenyl-PE 36:1; [M+H]+@7.82PE P-36:1ME203415--7.82-
plasmenyl-PE 38:6; [M+H]+@6.66PE P-38:6ME203416--6.66-
plasmenyl-PE 40:5; [M+H]+@7.43PE P-40:5ME203417--7.43-
SM 30:0; [M]+@4.75SM 30:0;O2ME20331146891775-4.75-
SM 30:1; [M+Na]+@4.48SM 30:1;O2ME203312--4.48-
SM 32:0; [M]+@5.57SM 32:0;O2ME20331344260138-5.57-
SM 32:1; [M]+@5.44SM 32:1;O2ME20331411433862-5.44-
SM 33:1; [M+Na]+@5.64SM 33:1;O2ME20331552931139-5.64-
SM 33:2; [M]+@5.32SM 33:2;O2ME203316--5.32-
SM 34:1; [M]+@5.97SM 34:1;O2ME203317--5.97-
SM 34:2; [M]+@5.58SM 34:2;O2ME203318--5.58-
SM 35:2; [M+Na]+@5.86SM 35:2;O2ME203319--5.86-
SM 36:1; [M]+@6.77SM 36:1;O2ME20332044260139-6.77-
SM 36:2; [M]+@6.20SM 36:2;O2ME203321--6.2-
SM 37:1; [M]+@7.02SM 37:1;O2ME203322--7.02-
SM 38:1; [M]+@8.69SM 38:1;O2ME203323--8.69-
SM 40:0; [M]+@8.25SM 40:0;O2ME20332444260132-8.25-
SM 40:1; [M]+@7.09SM 40:1;O2ME203325--7.09-
SM 40:2; [M]+@7.64SM 40:2;O2ME203326--7.64-
SM 42:1; [M]+@8.54SM 42:1;O2ME20332744260133-8.54-
SM 42:2; [M+Na]+@8.02SM 42:2;O2ME203328--8.02-
SM 42:5; [M]+@6.62SM 42:5;O2ME203329--6.62-
TG 40:0; [M+NH4]+@9.48TG 40:0ME203330--9.48-
TG 40:1; [M+NH4]+@9.17TG 40:1ME203331--9.17-
TG 42:0; [M+NH4]+@9.75TG 42:0ME203332--9.75-
TG 42:1; [M+NH4]+@9.51TG 42:1ME203333--9.51-
TG 42:2; [M+NH4]+@9.18TG 42:2ME203334--9.18-
TG 44:1; [M+NH4]+@9.80TG 44:1ME203335--9.8-
TG 44:2; [M+NH4]+@9.51TG 44:2ME203336--9.51-
TG 46:0; [M+NH4]+@10.32TG 46:0ME203337--10.32-
TG 46:1; [M+NH4]+@10.03TG 46:1ME203338--10.03-
TG 46:2; [M+NH4]+@9.81TG 46:2ME203339--9.81-
TG 46:3; [M+NH4]+@9.57TG 46:3ME203340--9.57-
TG 48:0; [M+NH4]+@10.55TG 48:0ME203341--10.55-
TG 48:1; [M+NH4]+@10.30TG 48:1ME203342--10.3-
TG 48:2; [M+NH4]+@10.06TG 48:2ME203343--10.06-
TG 48:3; [M+NH4]+@9.87TG 48:3ME203344--9.87-
TG 49:1; [M+NH4]+@10.48TG 49:1ME203345--10.48-
TG 49:2; [M+NH4]+@10.25TG 49:2ME203346--10.25-
TG 49:3; [M+NH4]+@10.03TG 49:3ME203347--10.03-
TG 50:0; [M+NH4]+@10.80TG 50:0ME203348--10.8-
TG 50:1; [M+NH4]+@10.54TG 50:1ME203349--10.54-
TG 50:2; [M+NH4]+@10.35TG 50:2ME203350--10.35-
TG 50:3; [M+NH4]+@10.13TG 50:3ME203351--10.13-
TG 50:4; [M+NH4]+@9.93TG 50:4ME203352--9.93-
TG 50:5; [M+NH4]+@9.74TG 50:5ME203353--9.74-
TG 51:1; [M+NH4]+@10.71TG 51:1ME203354--10.71-
TG 51:2; [M+NH4]+@10.51TG 51:2ME203355--10.51-
TG 51:3; [M+NH4]+@10.31TG 51:3ME203356--10.31-
TG 51:4; [M+NH4]+@10.09TG 51:4ME203357--10.09-
TG 52:0; [M+NH4]+@11.05TG 52:0ME203358--11.05-
TG 52:1; [M+NH4]+@10.81TG 52:1ME203359--10.81-
TG 52:2; [M+NH4]+@10.57TG 52:2ME203360--10.57-
TG 52:3; [M+NH4]+@10.40TG 52:3ME203361--10.4-
TG 52:4; [M+NH4]+@10.19TG 52:4ME203362--10.19-
TG 52:5; [M+NH4]+@10.00TG 52:5ME203363--10-
TG 52:6; [M+NH4]+@9.84TG 52:6ME203364--9.84-
TG 52:7; [M+NH4]+@9.70TG 52:7ME203365--9.7-
TG 53:0; [M+NH4]+@11.14TG 53:0ME203366--11.14-
TG 53:1; [M+NH4]+@10.93TG 53:1ME203367--10.93-
TG 53:2; [M+NH4]+@10.75TG 53:2ME203368--10.75-
TG 53:3; [M+NH4]+@10.54TG 53:3ME203369--10.54-
TG 53:4; [M+NH4]+@10.33TG 53:4ME203370--10.33-
TG 53:5; [M+NH4]+@10.18TG 53:5ME203371--10.18-
TG 54:0; [M+NH4]+@11.27TG 54:0ME203372--11.27-
TG 54:1; [M+NH4]+@11.06TG 54:1ME203373--11.06-
TG 54:2; [M+NH4]+@10.84TG 54:2ME203374--10.84-
TG 54:3; [M+NH4]+@10.64TG 54:3ME203375--10.64-
TG 54:4; [M+NH4]+@10.45TG 54:4ME203376--10.45-
TG 54:5; [M+NH4]+@10.26TG 54:5ME203377--10.26-
TG 54:6; [M+NH4]+@10.07TG 54:6ME203378--10.07-
TG 54:7; [M+NH4]+@9.91TG 54:7ME203379--9.91-
TG 54:8; [M+NH4]+@9.78TG 54:8ME203380--9.78-
TG 55:1; [M+NH4]+@11.16TG 55:1ME203381--11.16-
TG 55:2; [M+NH4]+@10.98TG 55:2ME203382--10.98-
TG 56:0; [M+NH4]+@11.50TG 56:0ME203383--11.5-
TG 56:1; [M+NH4]+@11.30TG 56:1ME203384--11.3-
TG 56:2; [M+NH4]+@11.08TG 56:2ME203385--11.08-
TG 56:3; [M+NH4]+@10.90TG 56:3ME203386--10.9-
TG 56:4; [M+NH4]+@10.73TG 56:4ME203387--10.73-
TG 56:5; [M+NH4]+@10.55TG 56:5ME203388--10.55-
TG 56:6; [M+NH4]+@10.40TG 56:6ME203389--10.4-
TG 56:7; [M+NH4]+@10.23TG 56:7ME203390--10.23-
TG 56:8; [M+NH4]+@10.03TG 56:8ME203391--10.03-
TG 58:11; [M+NH4]+@9.77TG 58:11ME203393--9.77-
TG 58:1; [M+NH4]+@11.53TG 58:1ME203392--11.53-
TG 58:2; [M+NH4]+@11.31TG 58:2ME203394--11.31-
TG 58:3; [M+NH4]+@11.13TG 58:3ME203395--11.13-
TG 58:4; [M+NH4]+@10.94TG 58:4ME203396--10.94-
TG 58:8; [M+NH4]+@10.27TG 58:8ME203397--10.27-
TG 62:1; [M+NH4]+@12.10TG 62:1ME203398--12.1-


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