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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
10-HYDROXYDECANOIC ACID (M-H)-10-Hydroxydecanoic acidME2009896991989-13.54188.1407
16:0-18:0 PC (M+CL)-PC 16:0_18:0ME20099118631368-25.5761.5797
16:0 LYSO PC (M+CL)-LPC 16:0ME200990460602-22.36495.3365
18:0 LYSO-PE (M-H)-LPE 18:0ME2009929547068-22.69481.3164
1-HYDROXY-2-NAPHTHOIC ACID (M-H)-1-Hydroxy-2-naphthoateME2009876844-15.74188.0472
1-METHYLURIC ACID (M-H)-1-Methyluric acidME20098869726-2.23182.0431
2'-DEOXYGUANOSINE #2 (M-H)-DeoxyguanosineME200993187790-2.11267.0962
2'-DEOXYINOSINE (M+CL)-DeoxyinosineME20099465058-2.13252.0876
2'-DEOXYINOSINE (M-H)-DeoxyinosineME20099565058-2.1252.0872
2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)-2-Hydroxy-3-methylbutyric acidME200996853180-3.43118.0626
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (M-H)-2-Hydroxy-4-(methylthio)butanoic acidME20099711427-3.31150.0352
2-METHYLMALEIC ACID #2 (M-H)-Citraconic acidME200998643798-2.33130.0269
2-METHYLMALEIC ACID (M-H)-Citraconic acidME200999643798-1.84130.0266
3-(4-HYDROXYPHENYL)LACTIC ACID (M-H)-Hydroxyphenyllactic acidME201000440177-3.81182.0575
3-METHOXY-4-HYDROXYMANDELIC ACID (M-H)-Vanillylmandelic acidME201001736172-2.01198.0557
3-METHYL-2-OXOPENTANOIC ACID (M-H)-3-Methyl-2-oxovaleric acidME201002440877-4.23130.0625
3-METHYLXANTHINE (M-H)-3-MethylxanthineME20100370639-2.37166.0459
3-PHOSPHOGLYCERIC ACID (M-H)-3-Phosphoglyceric acidME201004439183-0.79185.9935
3-SULFINO-L-ALANINE (M-H)-3-Sulfino-alanineME201005109-0.73153.0092
4-ACETAMINOPHEN SULFATE (M-H)-Paracetamol sulfateME20100683939-2.3231.0199
4-COUMARIC ACID (M-H)-cis-p-Coumaric acidME201007637542-7164.0471
4-HYDROXYBENZOIC ACID (M-H)-4-Hydroxybenzoic acidME201008135-4.14138.0314
4-HYDROXYPHENYLACETIC ACID (M-H)-4-Hydroxyphenylacetic acidME201009127-4.67152.0467
5-HYDROXYTRYPTOPHAN (M-H)-5-Hydroxy-tryptophanME201010439280-1.8220.0845
ACETAMINOPHEN (TN TYLENOL) (M-H)-AcetaminophenME2010111983-3.11151.0625
ARACHIDIC ACID (M-H)-Arachidic acidME20101210467-23.63312.3028
ARACHIDONIC ACID (M-H)-Arachidonic acidME201013444899-22.76304.241
ASPARTIC ACID (M-H)-Aspartic acidME2010145960-0.69133.0374
AZELAIC ACID (M-H)-Azelaic acidME2010152266-10.68188.1048
BEHENIC ACID (M-H)-Behenic acidME2010168215-24.11340.3341
BENZOIC ACID #2 (M-H)-Benzoic acidME201017243-8.23122.0365
BILIVERDIN (M-H)-BiliverdinME2010185280353-18.61582.249
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (M+CL)--ME20101946891735-23.24643.5089
CHOLIC ACID (M+CL)-Cholic acidME201020221493-20.28408.2874
CHOLIC ACID (M-H)-Cholic acidME201021221493-20.29408.2847
CIS-11-EICOSENOIC ACID (M-H)-cis-Gondoic acidME2010225282768-23.3310.2875
CITRULLINE (M-H)-CitrullineME2010239750-0.68175.0951
CORTISOL (M+CL)-CortisolME2010245754-13.75362.213
CORTISONE (M+CL)-CortisoneME201025222786-13.35360.1946
DECANOIC ACID (M-H)-Capric acidME2010272969-19.83172.1456
DEHYDROASCORBIC ACID (M+CL)-Dehydroascorbic acidME201028440667-0.69174.0154
DEOXYCHOLIC ACID (M+CL)-Deoxycholic acidME201029222528-21.71392.2855
DEOXYCHOLIC ACID (M-H)-Deoxycholic acidME201030222528-21.71392.2918
DETHIOBIOTIN (2M-H)-DethiobiotinME201031445027-8.39214.128
D-GLUCOSE 6-PHOSPHATE (M-H)-Glucose 6-phosphateME2010265958-0.69260.031
DOCOSAHEXAENOIC ACID (M-H)-Docosahexaenoic acidME201032445580-22.74328.241
EPIBRASSINOLIDE [ISTD] (M+CL)-24-epi-BrassinolideME201033115196-19.8480.3442
ERUCIC ACID (M-H)-cis-Erucic acidME2010345281116-23.68338.3186
FLAVIN ADENINE DINUCLEOTIDE (M-H)-FADME201035643975-6.4785.1582
GENTISURIC ACID (2M-H)--ME201036161488-4.11211.0504
GLUCONIC ACID (M-H)-Gluconic acidME20103710690-0.7196.0579
GLUCOSE (M+CL)-GlucoseME2010385793-0.69180.0647
GLUCURONIC ACID (M-H)-Glucuronic acidME20103994715-0.68194.0412
GLUTAMIC ACID (M-H)-Glutamic acidME20104033032-0.69147.0531
GLUTARIC ACID (M-H)-Glutaric acidME201041743-2.04132.0419
GLUTATHIONE (OXIDIZED) (M-H)-GlutathioneME20104265359-1.38612.1563
GLYCINE (M-H)-GlycineME201043750-0.6875.032
GLYCOCHOLIC ACID (2M-H)-Glycocholic acidME20104410140-18.83465.3103
GLYCOCHOLIC ACID (M-H)-Glycocholic acidME20104510140-18.83465.3083
GLYCOLITHOCHOLIC ACID (M-H)-Glycolithocholic acidME201046115245-21.59433.3188
HEPTADECANOIC ACID (M-H)-Margaric acidME20104710465-23.06270.2557
HEXACOSANOIC ACID (M-H)-Cerotic acidME20104810469-25.61396.396
HOMOVANILLIC ACID (2M-H)-Homovanillic acidME2010491738-5.68182.0581
HYODEOXYCHOLIC ACID (M-H)-Hyodeoxycholic acidME2010505283820-22.85392.2956
IBUPROFEN CARBOXYLIC ACID (M-H)--ME20105110444113-12.94236.1049
INDOLE-3-ACETIC ACID (M-H)-Indoleacetic acidME201052802-8.35175.0628
INOSINE 5'-DIPHOSPHATE (M-H)+[-H2O]IDPME2010546831-0.62428.0167
INOSINE (M-H)-InosineME2010536021-1.85268.0847
KYNURENIC ACID (M-H)-Kynurenic acidME2010553845-4.96189.0424
KYNURENINE (M-H)-KynurenineME201056161166-2.22208.0832
L-[15N]ANTHRANILIC ACID [ISTD] (M-H)-2-Aminobenzoic acidME201060227-5.34138.0446
L-ARGININE (M-H)-ArginineME2010576322-0.67174.1115
LAURIC ACID (M-H)-Lauric acidME2010613893-21.79200.1773
LEUKOTRIENE B4 (M-H)-LTB4ME2010625280492-20.87336.2291
L-HISTIDINE (M-H)-HistidineME2010586274-0.67155.0694
LIGNOCERIC ACID (M-H)-Lignoceric acidME20106311197-24.76368.3653
LINOLEIC ACID (M-H)-Linoleic acidME2010645280450-22.78280.2409
L-TRYPTOPHAN-15N2 [ISTD] (M-H)-TryptophanME20105916217285-3.61206.0848
LYSINE (M-H)-LysineME2010655962-0.64146.1052
MANNITOL (M-H)-MannitolME2010676251-0.67182.0789
M-HYDROXYMANDELIC ACID (M-H)-3-Hydroxymandelic acidME20106686957-2.05168.0405
MYRISTIC ACID (M-H)-Myristic acidME20106811005-22.5228.209
MYRISTOLEIC ACID (M-H)-Myristoleic acidME2010695281119-22.12226.1931
N-ACETYL-DL-METHIONINE (M-H)-N-AcetylmethionineME201071448580-4.01191.061
N-ACETYL-D-TRYPTOPHAN (M-H)-N-Acetyl-D-tryptophanME201070439917-7.93246.0993
N-ACETYL-L-CYSTEINE (M-H)-N-AcetylcysteineME20107212035-3.34324.0452
N-ACETYL-L-LEUCINE (M-H)-N-AcetylleucineME20107375619-7.07173.1049
N-ACETYL-L-PHENYLALANINE (M-H)-N-AcetylphenylalanineME20107474839-7.63207.0891
N-ACETYLNEURAMINIC ACID (M-H)-N-Acetylneuraminic acidME201075444885-0.74309.1061
NERVONIC ACID (M-H)-Nervonic acidME2010775281120-24.18366.3502
NICOTINAMIDE HYPOXANTHINE DINUCLEOTIDE (M-H)-Nicotinamide purin-6-ol-dinucleotideME201078440334-1.09664.0888
N-OLEOYLGLYCINE (M-H)-N-Oleoyl glycineME2010766436908-22.58339.2736
OLEIC ACID (M-H)-Oleic acidME201079445639-22.98282.2565
OMEGA-HYDROXYDODECANOIC ACID (M-H)-12-Hydroxy lauric acidME20108079034-17216.1717
ORNITHINE (M-H)-OrnithineME2010816262-0.64132.0893
OXALIC ACID (M-H)-Oxalic acidME201082971-0.7289.9949
OXALOACETIC ACID (M-H)-[-H2O]Oxaloacetic acidME201083970-0.62132.0035
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M-H)-p-AcetamidophenylglucuronideME20108483944-2.26327.0967
PALMITIC ACID (M-H)-Palmitic acidME201085985-22.9256.2408
PALMITOLEIC ACID (M-H)-Palmitoleic acidME201086445638-22.63254.2249
PANTOTHENIC ACID (M+CL)-Pantothenic acidME2010876613-3.22219.1101
PANTOTHENIC ACID (M-H)-Pantothenic acidME2010886613-3.22219.1103
PHENYLALANINE (M-H)-PhenylalanineME2010896140-2.51165.079
PHENYLPYRUVIC ACID (M-H)-Phenylpyruvic acidME201090997-5.3164.0468
PHTHALIC ACID (M-H)-Phthalic acidME2010911017-4.77166.0265
PHYTANIC ACID (M-H)-Phytanic acidME20109210380830-23.3312.297
PIMELIC ACID (M-H)-Pimelic acidME201093385-5.64160.0729
PROCOLLAGEN 5-HYDROXY-L-LYSINE (M-H)--ME20109483228-0.58162.0976
PROSTAGLANDIN E2 (M+CL)-PGE2ME2010955280360-16.78352.2225
PROSTAGLANDIN E2 (M+CL)-[-H2O]PGE2ME2010965280360-16.84352.2188
PROSTAGLANDIN E2 (M-H)-PGE2ME2010975280360-16.75352.2244
PROSTAGLANDIN E2 (M-H)-[-H2O]PGE2ME2010985280360-16.74352.2251
RIBOSE 5-PHOSPHATE (M-H)-Ribose 5-phosphateME201099439167-0.76230.02
SALICYLATE #2 (M-H)-Salicylic acidME201100338-8.13138.0315
SEBACIC ACID (M-H)-Sebacic acidME2011015192-12.9202.1206
SERINE (M-H)-SerineME201102617-0.67105.0425
STACHYOSE (M+CL)-StachyoseME201103439531-0.76666.2104
STEARIC ACID (M-H)-Stearic acidME2011045281-23.23284.2721
SUBERIC ACID (M-H)-Suberic acidME20110510457-8.18174.0887
TAURINE (M-H)-TaurineME2011061123-0.67125.0145
THEOPHYLLINE (M-H)-TheophyllineME2011072153-4.46180.0637
THYMIDINE (M+CL)-ThymidineME2011085789-2.77242.0906
THYMIDINE (M-H)-ThymidineME2011095789-2.76242.0905
THYMINE (M-H)-ThymineME2011101135-1.76126.0429
THYROTROPIN RELEASING HORMONE (M+CL)-Thyrotropin releasing hormoneME201111638678-1.48362.1698
TRICOSANOIC ACID (M-H)-Tricosylic acidME20111217085-24.41354.3491
TRIDECANOIC ACID (M-H)-Tridecylic acidME20111312530-22.19214.1927
TRYPTOPHAN (2M-H)-TryptophanME2011146305-3.61204.0881
TRYPTOPHAN (M-H)-TryptophanME2011156305-3.61204.089
URIDINE-5-MONOPHOSPHATE (M-H)-UMPME2011166030-0.81324.0417
XANTHOSINE 5'-PHOSPHATE (M-H)-XMPME20111873323-1.03364.0449
XANTHOSINE (M-H)-XanthosineME20111764959-2.32284.0759
ZEATIN [ISTD] (M+CL)-trans-ZeatinME201119449093-3.93219.1121
ZEATIN [ISTD] (M-H)-trans-ZeatinME201120449093-3.93219.1113


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_18:0ME20112418631368-25.39761.5839
16:0-18:0 PC (M+NA)+PC 16:0_18:0ME20112518631368-25.41761.5859
16:0 LYSO PC (M+H)+LPC 16:0ME201122460602-22.32495.3333
16:0 LYSO PC (M+NA)+LPC 16:0ME201123460602-22.32495.3337
18:0 LYSO-PE (2M+NA)+LPE 18:0ME2011269547068-22.72481.3236
18:0 LYSO-PE (M+H)+LPE 18:0ME2011279547068-22.71481.3198
18:0 LYSO-PE (M+NA)+LPE 18:0ME2011289547068-22.72481.3213
1-METHYLXANTHINE (M+H)+1-MethylxanthineME20112180220-2.43166.0475
20:0 LYSO PC (M+NA)+LPC 20:0ME20112924779473-22.94551.3943
25-HYDROXYCHOLESTEROL (M+H)+[-H2O]25-HydroxycholesterolME20113065094-22.85402.3523
3-HYDROXYLAUROYLCARNITINE (*) (M+H)+CAR 12:0;OHME20113171464535-15.98359.2659
3-METHYLXANTHINE (M+H)+3-MethylxanthineME20113270639-2.43166.0522
5-HYDROXYTRYPTOPHAN (M+H)+5-Hydroxy-tryptophanME201134439280-1.76220.0868
5'-METHYLTHIOADENOSINE (M+H)+5'-MethylthioadenosineME201133439176-4.45297.0915
5-OXOPROLINE (M+H)+Pyroglutamic acidME2011357405-1.18129.0402
6-HYDROXYNICOTINIC ACID (M+H)+6-Hydroxynicotinic acidME20113672924-1.84139.0258
ACETAMINOPHEN (TN TYLENOL) (M+H)+AcetaminophenME2011371983-3.05151.061
ACETYLCARNITINE (M+H)+CAR 2:0ME20113818230-0.98203.1132
ADENOSINE 5'-MONOPHOSPHATE (M+H)+AMPME2011396083-0.98347.0627
ALPHA-TOCOPHEROL (M+H)+alpha-TocopherolME20114014985-24.44430.3793
AZELAIC ACID (M+H)+[-H2O]Azelaic acidME2011412266-10.58188.1062
AZELAIC ACID (M+NA)+Azelaic acidME2011422266-10.58188.1055
BILIVERDIN (M+H)+BiliverdinME2011435280353-18.54582.251
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+H)+bis(2-Ethylhexyl)phthalic acidME2011448343-23.12390.2785
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+NA)+bis(2-Ethylhexyl)phthalic acidME2011458343-23.12390.2782
CADAVERINE (M+H)+CadaverineME201146273-0.56102.1157
CAFFEINE (M+H)+CaffeineME2011472519-5.86194.0841
CARNITINE (M+H)+CarnitineME20114810917-0.69161.103
CARNOSINE (M+H)+CarnosineME201149439224-0.67226.1063
CHOLESTEROL (M+H)+[-H2O]CholesterolME2011505997-24.52386.355
CHOLINE M+CholineME201151305-0.67104.1079
CITRIC ACID (M+NA)+Citric acidME201152311-1.04192.0259
CITRULLINE (M+NA)+CitrullineME2011539750-0.7175.0953
CYTIDINE 5'-DIPHOSPHOCHOLINE (M+H)+CDP-cholineME20115413804-0.6488.1048
DECANOIC ACID (2M+NA)+Capric acidME2011562969-22.78172.147
DEOXYCHOLIC ACID (M+NA)+Deoxycholic acidME201157222528-21.66392.2925
DESMOSTEROL (M+H)+[-H2O]DesmosterolME201158439577-24.13384.342
DETHIOBIOTIN (2M+H)+DethiobiotinME201159445027-8.32214.1282
DETHIOBIOTIN (M+H)+DethiobiotinME201160445027-8.16214.1318
D-GALACTOSAMINE (M+H)+GalactosamineME2011553034366-0.68179.0778
DGDP (M+H)+dGDPME201161439220-1.19427.027
EICOSADIENOYLCARNITINE (*) (M+H)+CAR 20:2ME20116271464509-21.57451.3727
ELAIDIC ACID (M+H)+Elaidic acidME201163637517-22.94282.2569
ETHANOLAMINE PHOSPHATE (M+H)+PhosphoethanolamineME2011641015-0.69141.0218
FLUCYTOSINE (M+H)+FlucytosineME2011653366-0.72129.0345
GAMMA-LINOLENIC ACID (M+NA)+gamma-Linolenic acidME2011665280933-22.87278.2235
GLUCOSE (M+NA)+GlucoseME2011675793-0.7180.0635
GLUTARYLCARNITINE (*) (M+H)+CAR DC5:0ME20116853481622-1.86275.1374
GLYCEROL MYRISTATE (M+NA)+MG 14:0ME20116979050-22.15302.2473
GLYCOCHENODEOXYCHOLIC ACID (M+H)+Glycochenodeoxycholic acidME2011709548796-20.54449.3144
GLYCOCHENODEOXYCHOLIC ACID (M+NA)+Glycochenodeoxycholic acidME2011719548796-20.53449.3143
GLYCOCHOLIC ACID (M+H)+Glycocholic acidME20117210140-18.75465.3091
GLYCOCHOLIC ACID (M+H)+[-H2O]Glycocholic acidME20117310140-18.75465.3092
GLYCOCHOLIC ACID (M+NA)+Glycocholic acidME20117410140-18.74465.3093
HEXANOYLCARNITINE (*) M+CAR 6:0ME2011753246939-7260.1881
HOMOSERINE (M+NA)+HomoserineME20117612647-0.67119.0578
HYPOXANTHINE (M+H)+HypoxanthineME201177790-1.13136.04
HYPOXANTHINE (M+NA)+HypoxanthineME201178790-1.07136.0366
IBUPROFEN CARBOXYLIC ACID (M+H)+[-H2O]-ME20117910444113-12.85236.1058
IBUPROFEN CARBOXYLIC ACID (M+NA)+-ME20118010444113-12.85236.1052
INDOLE-3-ACETIC ACID (M+H)+Indoleacetic acidME201181802-8.25175.064
INOSINE 5'-PHOSPHATE (M+H)+IMPME2011828582-1.01348.0497
ISOLEUCINE (M+H)+IsoleucineME2011836306-1.55131.0944
ISOLEUCINE (M+NA)+IsoleucineME2011846306-1.55131.0932
ISOVALERYLCARNITINE (*) (M+H)+CAR 4:0;3MeME201185169235-4.52245.1617
KYNURENIC ACID (M+H)+Kynurenic acidME2011863845-4.89189.0428
KYNURENINE (M+H)+KynurenineME201187161166-2.18208.0859
L-ARGININE (M+H)+ArginineME2011886322-0.67174.1125
L-ARGININE (M+NA)+ArginineME2011896322-0.65174.1124
LEUKOTRIENE B4 (M+NA)+LTB4ME2011935280492-20.81336.2334
LEVORPHANOL (M+H)+LevorphanolME2011945359272-7.21257.1731
L-HISTIDINE (M+H)+HistidineME2011906274-0.67155.0695
L-HISTIDINE (M+NA)+HistidineME2011916274-0.67155.069
L-TRYPTOPHAN-15N2 [ISTD] (M+H)+TryptophanME20119216217285-3.55206.0851
LUMICHROME (M+H)+LumichromeME2011955326566-10.84242.0826
LYSINE (M+H)+LysineME2011965962-0.58146.1056
LYSINE (M+NA)+LysineME2011975962-0.6146.1054
MALIC ACID (M+NA)+Malic acidME201198222656-0.83134.0198
MANNITOL (M+NA)+MannitolME2011996251-0.7182.0779
METHIONINE (M+H)+MethionineME2012006137-1.02149.0487
N-ACETYL-DL-METHIONINE (M+H)+N-AcetylmethionineME201202448580-3.95191.0616
N-ACETYL-DL-METHIONINE (M+H)+[-H2O]N-AcetylmethionineME201203448580-3.94191.0618
N-ACETYL-DL-SERINE (M+H)+[-H2O]N-AcetylserineME20120465249-0.95147.0525
N-ACETYL-D-MANNOSAMINE (M+H)+N-Acetyl-mannosamineME20120153477792-0.76221.0883
N-ACETYL-L-LEUCINE (M+H)+N-AcetylleucineME20120575619-7173.105
N-ACETYL-L-PHENYLALANINE (M+H)+N-AcetylphenylalanineME20120674839-7.53207.0902
N-ACETYLNEURAMINIC ACID (M+H)+N-Acetylneuraminic acidME201207444885-0.74309.1103
NAD (M+H)+NADME2012085893-1.06663.1099
NICOTINIC ACID (M+H)+Nicotinic acidME201209938-1.06123.0297
OCTANOYLCARNITINE (*) (M+H)+CAR 8:0ME201210123701-11.73287.2098
OLEAMIDE (M+H)+OleamideME2012115283387-22.66281.272
OLEIC ACID (M+H)+Oleic acidME201212445639-22.54282.2556
OLEOYL-GLYCEROL (M+H)+MG 18:1ME2012135319879-22.71356.2932
OLEOYL-GLYCEROL (M+NA)+MG 18:1ME2012145319879-22.72356.2939
ORNITHINE (M+H)+OrnithineME2012156262-0.58132.0897
PANTOTHENIC ACID (M+H)+Pantothenic acidME2012166613-3.17219.1125
PROLINE (M+H)+ProlineME201217145742-0.64115.0637
PROLINE (M+NA)+ProlineME201218145742-0.6115.0634
PROSTAGLANDIN E2 (M+H)+PGE2ME2012195280360-16.71352.2235
PROSTAGLANDIN E2 (M+H)+[-H2O]PGE2ME2012205280360-16.66352.2284
PROSTAGLANDIN E2 (M+NA)+PGE2ME2012215280360-16.67352.2273
PURINE (M+H)+PurineME2012221044-1.32120.0437
PYRIDOXINE (M+H)+PyridoxineME2012231054-1.11169.0745
RAFFINOSE (M+NA)+RaffinoseME201224439242-0.73504.1667
SEBACIC ACID (M+H)+[-H2O]Sebacic acidME2012255192-12.82202.1209
SEBACIC ACID (M+NA)+Sebacic acidME2012265192-12.81202.1211
SPERMIDINE (M+H)+SpermidineME2012271102-0.55145.1577
STACHYOSE (M+K)+StachyoseME201228439531-0.73666.2235
STACHYOSE (M+NA)+StachyoseME201229439531-0.73666.2204
SUCROSE (M+NA)+SucroseME2012305988-0.72342.1144
TAUROCHENODEOXYCHOLIC ACID (M+H)+Taurochenodeoxycholic acidME201231387316-20.09499.2966
TAUROCHOLIC ACID (M+H)+[-H2O]Taurocholic acidME2012326675-18.08515.2923
THEOBROMINE (M+H)+TheobromineME2012335429-3.45180.0648
THYMIDINE (M+H)+ThymidineME2012345789-2.58242.0941
THYMINE (M+H)+ThymineME2012351135-1.72126.0429
TRYPTOPHAN (M+H)+TryptophanME2012366305-3.55204.0889
TRYPTOPHAN (M+NA)+TryptophanME2012376305-3.55204.0906
TYROSINE (M+H)+TyrosineME2012386057-1.33181.0708
UDP-N-ACETYL-D-GALACTOSAMINE (M+NA)+UDP-N-acetylgalactosamineME20123923724461-0.86607.0797
UROCANIC ACID (M+H)+Urocanic acidME201240736715-0.99138.0411
VALINE (M+H)+ValineME2012416287-0.91117.0779
XANTHINE (M+H)+XanthineME2012421188-1.25152.0312
XANTHOSINE (M+H)+XanthosineME20124364959-2.28284.0778
ZEATIN [ISTD] (M+H)+trans-ZeatinME201244449093-3.87219.1127


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