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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
1,3-DIAMINOPROPANE1,3-DiaminopropaneME236172428-0.5975.0920
1-AMINOCYCLOPROPANE-1-CARBOXYLATE1-Aminocyclopropanecarboxylic acidME236173535-0.77102.0550
2-hydroxyglutarate2-Hydroxyglutaric acidME23616443-1.55149.0434
2-hydroxyglutarate+Na-ME236165--1.54171.0257
2-hydroxyglutarate-water_R1-ME236166--1.54131.0335
2-hydroxyglutarate-water_R2-ME236167--1.61131.0336
2-Phenylglycine2-PhenylglycineME2361683866-7.83152.0699
3,4-DIHYDROXY-L-PHENYLALANINEDOPAME2361696047-2.32198.0749
3-HYDROXYKYNURENINEHydroxykynurenineME23616289-3.19225.0858
3-UREIDOPROPIONATEUreidopropionic acidME236163111-1.24133.0611
4-AMINOBUTANOATE (GABA)_R1gamma-Aminobutyric acidME236155119-0.92104.0707
4-AMINOBUTANOATE (GABA)_R2gamma-Aminobutyric acidME236156119-0.80104.0707
4-GUANIDINOBUTANOATE4-Guanidinobutanoic acidME236157500-1.59146.0918
4-HYDROXY-L-PHENYLGLYCINE_R14-HydroxyphenylglycineME23615836143-0.96168.0641
4-HYDROXY-L-PHENYLGLYCINE_R24-HydroxyphenylglycineME23615936143-0.77168.0642
4-IMIDAZOLEACETIC ACIDImidazoleacetic acidME23616096215-0.97127.0498
5,6-DIHYDROURACILDihydrouracilME236161649-1.33115.0500
5-AMINOLEVULINIC ACID_R15-Amino-levulinic acidME236145137-0.74132.0650
5-AMINOLEVULINIC ACID_R25-Amino-levulinic acidME236146137-0.84132.0650
5-AMINOLEVULINIC ACID_R35-Amino-levulinic acidME236147137-0.98132.0650
5-hydroxyindoleacetic acid5-Hydroxyindoleacetic acidME2361481826-6.53192.0646
5-HYDROXY-L-TRYPTOPHAN_R15-Hydroxy-tryptophanME236149144-6.82221.0908
5-HYDROXY-L-TRYPTOPHAN_R25-Hydroxy-tryptophanME236150144-6.73221.0907
5-HYDROXY-L-TRYPTOPHAN_R35-Hydroxy-tryptophanME236151144-6.91221.0911
5-Hydroxymethyl-2-furaldehyde-ME236152237332-0.76127.0386
5-Hydroxy-N-formylkynurenine5-Hydroxy-N-formylkynurenineME236153440744-11.17253.0810
5-OXO-L-PROLINEPyroglutamic acidME2361547405-1.81130.0495
6C-SUGAR ALCOHOL-ME236140--0.74205.0672
6-DEOXY-HEXOSE_R1-ME236141--0.95187.0568
6-DEOXY-HEXOSE_R2-ME236142--0.87187.0569
6-Quinolincarboxylic Acid1-NitronaphthaleneME2361436849-7.96174.0543
7-(b-Hydroxyethyl)theophylline-ME2361441892-7.79225.0980
Acetaminophen/Paracetamol_R1AcetaminophenME2359851983-7.06152.0697
Acetaminophen/Paracetamol_R2AcetaminophenME2359861983-7.11152.0699
ADENOSINEAdenosineME23598760961-5.67268.1027
AGMATINE SULFATEAgmatineME235988199-0.67131.1287
ALANINE/SARCOSINEAlanine/SarcosineME235989--0.7490.0551
ALDO/KETO-HEXOSEHexoseME235990--0.74203.0516
ALDOPENTOSEAldopentoseME235991--0.91173.0418
ALLANTOINAllantoinME235992204-0.82159.0506
AllopurinolAllopurinolME2359932094-6.15137.0453
ALPHA-AMINOADIPATE/N-METHYL-L-GLUTAMATE-ME235994--0.90162.0756
Anthranilate2-Aminobenzoic acidME235995227-8.67120.0441
ASPARTATE_R1Aspartic acidME2359965960-0.72134.0444
ASPARTATE_R2Aspartic acidME2359975960-0.85134.0444
BOC-D-Phenylalanine_R1-ME235998--11.46166.0856
BOC-D-Phenylalanine_R2-ME235999--11.46288.1192
BOC-L-Tyrosine-ME236000117439-10.04182.0804
BUTYROBETAINE3-DehydroxycarnitineME236001725C011811.27146.1170
ButyrylcarnitineCAR(4:0)ME236002213144-7.49232.1530
C5-SUGAR ALCOHOL-ME236003--0.71175.0574
Caffeine-D3-ME23600413001298-7.92198.1057
CARNOSINE_R1CarnosineME236005439224-0.71227.1127
CARNOSINE_R2CarnosineME236006439224-0.84227.1126
CholineCholineME236007305-0.84104.1070
Citrate+Na-ME236011--1.93215.0152
Citrate+NH3-ME236012--1.93210.0599
Citrate source fragment (+H and + NH3)-ME236008--1.94129.0192
Citrate source fragment (+NH3)_R1-ME236009--1.93175.0230
Citrate source fragment (+NH3)_R2-ME236010--1.93157.0127
CITRULLINECitrullineME2360139750-0.78176.1024
CMPCMPME2360146131-1.04324.0575
CREATINECreatineME236015586-1.00132.0764
Creatine-D3_R1-ME236016--0.90135.0951
Creatine-D3_R2-ME236017--0.90157.0772
CYTIDINECytidineME2360186175-1.58244.0919
CYTIDINE 2',3'-CYCLIC MONO-PHOS-PHATE-ME23601953481030-1.08306.0471
CYTIDINE 5'-DIPHOSPHOCHOLINECytidine 5'-diphosphocholineME23602013804-0.90489.1125
CYTOSINE_R1CytosineME236021597-0.86112.0504
CYTOSINE_R2CytosineME236022597-1.04112.0504
D-(+)-GALACTOSAMINEGalactosamineME23602324154-0.68202.0677
D-GLUCOSAMINE 6-PHOSPHATEGlucosamine 6-phosphateME236025440997-0.73260.0517
Dimer of Lactose-ME236026--0.79707.2189
DL-5-HYDROXYLYSINE5-HydroxylysineME2360271029-0.63163.1070
DOPAMINEDopamineME236028681-2.87154.0851
D-(+)-RAFFINOSERaffinoseME236024439242-0.87527.1557
D-RiboseRiboseME23602910975657-0.84173.0414
ErgothioneineErgothioneineME2360305351619-1.09231.0993
ETHANOLAMINE PHOSPHATEPhosphoethanolamineME2360311015-0.70142.0258
Formyl-5-hydroxykynurenamineFormyl-5-hydroxykynurenamineME236032440743-11.17209.0910
Formylkynurenine_R1N-Formyl-L-kynurenineME236033910-10.71237.0859
Formylkynurenine_R2N-Formyl-L-kynurenineME236034910-10.63237.0860
GLUCONIC ACID/D-GULONIC ACID GAMA-LACTONE_R1-ME236035--0.76219.0466
GLUCONIC ACID/D-GULONIC ACID GAMA-LACTONE_R2-ME236036--0.90219.0469
GLUCOSAMINE/MANNOSAMINE-ME236037--0.74180.0860
GLUCOSE/FRUCTOSE-PHOSPHATE-ME236038--0.75283.0173
GLUTARATEGlutaric acidME236039743-4.67155.0308
GLYCEROLGlycerolME236040753-0.77115.0381
Glycerophosphocholinesn-Glycero-3-phosphocholineME23604171920-0.77258.1089
GLYCINEGlycineME236042750-0.7176.0397
Glycyl-L-leucineGly-LeuME23604392843-6.51189.1224
GUANIDINOACETATEGuanidoacetic acidME236044763-0.80118.0605
HEXOSE-6-PHOSPHATEHexose 6-phosphateME236045--0.74261.0356
HEXOSE-DISACCHARIDE_R1-ME236046--0.80365.1035
HEXOSE-DISACCHARIDE_R2-ME236047--0.87365.1036
HISTAMINEHistamineME236048774-0.62112.0868
HYPOXANTHINEHypoxanthineME236049790-2.01137.0453
IsobutyrylcarnitineCAR(3:0(2Me))ME23605010177002-7.41232.1530
ISOCITRIC ACID_R1Isocitric acidME2360511198-1.06215.0151
ISOCITRIC ACID_R2Isocitric acidME2360521198-1.20215.0151
Isocytosine2-Amino-4-hydroxypyrimidineME23605366950-1.58112.0504
Kynurenic AcidKynurenic acidME2360543845-7.76190.0491
LactoseLactoseME23605784571-0.79343.1216
Lactose+K-ME236058--0.80381.0774
L-ALLOTHREONINEAllothreonineME23605999289-0.73142.0472
L-ARGININEArginineME2360606322-0.70175.1182
L-ASPARAGINEAsparagineME2360616267-0.71133.0606
L-CARNITINECarnitineME23606210917-0.96162.1117
L-CYSTATHIONINE_R1CystathionineME236063439258-0.69223.0735
L-CYSTATHIONINE_R2CystathionineME236064439258-0.85223.0734
L-CYSTEINECysteineME2360655862-0.76122.0268
L-CystineCystineME23606667678-0.69241.0303
Leu Pro_R1Leu-ProME236067--7.30229.1536
Leu Pro_R2Leu-ProME236068--7.17229.1536
L-GLUTAMINEGlutamineME2360695961-0.73147.0757
L-HISTIDINEHistidineME2360706274-0.69156.0762
L-IsoleucineIsoleucineME2360716306-2.22132.1015
L-KYNURENINEKynurenineME236072161166-6.54209.0911
LL-2,6-DIAMINOHEPTANEDIOATE_R12,6-Diaminopimelic acidME236073439283-0.69191.1015
LL-2,6-DIAMINOHEPTANEDIOATE_R22,6-Diaminopimelic acidME236074439283-0.83191.1017
L-(+)-Lactic Acid_R1Lactic acidME236055612-0.7991.0391
L-(+)-Lactic Acid_R2Lactic acidME236056612-0.9491.0392
L-LEUCINELeucineME236075857-2.53132.1015
L-Leucine 13C6LeucineME236076--2.54138.1215
L-LYSINELysineME2360775962-0.63147.1122
L-METHIONINEMethionineME2360786137-1.40150.0576
L-PROLINEProlineME236079145742-0.88116.0704
L-SERINESerineME2360805951-0.70106.0498
Methionine SulfoxideMethionine sulfoxideME236081847-0.78166.0526
METHYL BETA-D-GALACTOSIDEMethyl beta-D-galactosideME23608294214-1.03217.0665
N-Acetyl-ArginineN-AcetylarginineME23608467427-1.58217.1286
N-ACETYL-DL-GLUTAMIC ACIDN-Acetylglutamic acidME236085185-2.20190.0701
N-ACETYL-DL-SERINEN-AcetylserineME236086352294-1.08148.0600
N-ACETYLGLYCINEN-AcetylglycineME23608710972-1.19140.0313
N-ACETYL-HEXOSAMINE-ME236088--0.85244.0778
N-ACETYL-L-ASPARTIC ACIDN-Acetylaspartic acidME23608965065-1.46176.0545
N-ACETYLNEURAMINATEN-Acetylneuraminic acidME236090439197-0.82310.1116
N-ACETYLPUTRESCINEN-AcetylputrescineME236091122356-1.11131.1174
N-ALPHA-ACETYL-L-LYSINEN(2)-AcetyllysineME23609292907-1.06189.1223
N-BOC-L-Aspartic Acid_R1-ME236093--8.55134.0443
N-BOC-L-Aspartic Acid_R2-ME236094--8.55256.0779
N-BOC-L-tert-Leucine-ME2360952734668-10.91132.1014
N-BOC-L-Tryptophan-ME23609683169-11.48205.0963
NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINEN-6-TrimethyllysineME236097440120-0.71189.1588
NICOTINAMIDENiacinamideME236098936-1.60123.0551
NICOTINAMIDE MONONUCLEOTIDENicotinamide ribotideME23609914180-1.08335.0622
N-METHYL-D-ASPARTIC ACIDN-Methyl-D-aspartic acidME23610022880-0.76148.0599
N(PAI)-METHYL-L-HISTIDINE3-MethylhistidineME23608364969-0.72170.0916
ORNITHINEOrnithineME2361016262-0.63133.0967
OrthophosphatePhosphoric acidME2361021061-0.7798.9842
Pantothenic AcidPantothenic acidME2361036613-6.67220.1170
PEG n5Pentaethylene glycolME23610462551-7.09261.1297
PhenylalaninePhenylalanineME2361056140-6.29166.0854
Phenylalanine-HCOOH-ME236106--6.32120.0805
PHOSPHOCHOLINE_R1Choline phosphateME2361081014-0.73184.0726
PHOSPHOCHOLINE_R2Choline phosphateME2361091014-0.91184.0719
PHOSPHO(ENOL)PYRUVIC ACIDPhosphoenolpyruvic acidME2361071005-0.99168.9890
PICOLINIC ACIDPicolinic acidME2361101018-1.33124.0388
PIPECOLATE/L-PIPECOLIC ACID_R1Pipecolic acidME236111439227-1.22130.0859
PIPECOLATE/L-PIPECOLIC ACID_R2Pipecolic acidME236112439227-1.28130.0859
ProprionylcarnitineCAR DC3:0ME236113107738-6.75218.1378
PUTRESCINEPutrescineME2361141045-0.6089.1076
PYRIDOXALPyridoxalME2361151050-1.87168.0643
RIBOFLAVINRiboflavinME236116493570-8.02377.1438
(R)-MALATED-Malic acidME23617092824-1.12157.0104
SEROTONIN-NH3SerotoninME2361195202-6.91160.0751
SEROTONIN_R1SerotoninME2361175202-6.84177.1015
SEROTONIN_R2SerotoninME2361185202-6.92177.1015
SN-GLYCEROL 3-PHOSPHATEsn-Glycero-3-phosphateME236120439162-0.74173.0204
(S)-NICOTINENicotineME23617189594-5.87163.1223
Source Fragment TRP-ME236121--7.68118.0650
StachydrineStachydrineME236122115244-1.04144.1014
STACHYOSEStachyoseME236123439531-0.94689.2084
SUCCINATESuccinic acidME2361241110-2.30141.0151
TAURINETaurineME2361251123-0.72126.0217
THIAMINEThiamineME2361261130C003781.32265.1105
THREONINE/HOMOSERINEThreonine/HomoserineME236127--0.73120.0652
THYMINEThymineME2361281135-3.29127.0492
TrigonellineTrigonellineME2361295570-0.94138.0536
TryptophanTryptophanME2361306305-7.69205.0964
Tryptophan-2,3,3-D3TryptophanME236131--7.69208.1152
Tryptophan-2,3,3-D3-NH3TryptophanME236132--7.68191.0889
Tryptophan-NH3TryptophanME236133--7.69188.0698
TYRAMINETyramineME2361345610-4.48138.0908
URACILUracilME2361351174-1.38113.0345
URATEUric acidME2361361175-1.81169.0347
URIDINEUridineME2361376029-2.81267.0575
URIDINE-5-MONOPHOSPHATEUMPME2361386030-1.23325.0415
Xanthurenic AcidXanthurenic acidME2361395699-7.52206.0440


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
2,3-dihydroxyisovalerate2,3-Dihydroxyisovaleric acidME23617421933884-1.39133.0502
2-AMINOETHYL DIHYDROGEN PHOSPHATE_R1PhosphoethanolamineME2361751015-0.7140.0112
2-AMINOETHYL DIHYDROGEN PHOSPHATE_R2PhosphoethanolamineME2361761015-0.82140.0111
2-hydroxyglutarate2-Hydroxyglutaric acidME23617743-1.53147.0294
2-Hydroxyhippuric acidSalicyluric acidME23617810253-7.3194.0452
3,4-DIHYDROXY-L-PHENYLALANINEDOPAME2361796047-2.33196.061
3-HYDROXY-3-METHYLGLUTARATE3-Hydroxymethylglutaric acidME2361801662-3.01161.0449
3-METHOXY-L-TYROSINE3-MethoxytyrosineME2361819307-6.02210.0769
3-methyladipic acid3-Methyladipic acidME23618212292-7.88159.0662
3-SULFINO-L-ALANINE_R13-Sulfino-alanineME2361831549098-0.75152.0018
3-SULFINO-L-ALANINE_R23-Sulfino-alanineME2361841549098-0.81152.0017
3-UREIDOPROPIONATEUreidopropionic acidME236185111-1.23131.0457
4-ACETAMIDOBUTANOATE4-Acetamidobutanoic acidME23618618189-3.75144.0659
4-GUANIDINOBUTANOATE4-Guanidinobutanoic acidME236187500-1.58144.0773
5-AMINOLEVULINIC ACID5-Amino-levulinic acidME236188137-0.8130.0504
5-HYDROXY-L-TRYPTOPHAN5-Hydroxy-tryptophanME236189144-6.85219.0766
6-Hydroxycaproic acid_R16-Hydroxy caproic acidME23619014490-7.94131.071
6-Hydroxycaproic acid_R26-Hydroxy caproic acidME23619114490-7.87131.071
6-Hydroxycaproic acid_R36-Hydroxy caproic acidME23619214490-7.8131.0711
6-PHOSPHOGLUCONIC ACID6-Phosphogluconic acidME23619391493-0.88275.0198
ALDOPENTOSEAldopentoseME236194--0.79149.0455
ALLANTOINAllantoinME236195204-0.81157.0361
Arachidonic Acid (20:4)Arachidonic acidME236196444899-15.92303.2318
ASCORBIC ACID-2HVitamin CME23619754670067-0.89173.0091
ASPARAGINEAsparagineME2361986267-0.7131.0457
ASPARTATEAspartic acidME23619983887-0.74132.0299
BOC-L-Tyrosine_R1-ME236200--10.02206.045
BOC-L-Tyrosine_R2-ME236201--10.02280.1179
C12H22O11-DISACCHARIDE-(6C/6C; GLC-GLC/GLC-FRC/GAL...-ME236202--0.82341.1075
C5-SUGAR ALCOHOL-ME236203--0.76151.0606
C6H12O6-HEXOSE/KETOSE/INOSITOL-ME236204--0.73179.0554
CARNOSINECarnosineME236205439224-0.71225.0985
CITRAMALATECitramalic acidME2362061081-2.23147.0294
CITRATECitric acidME236207311-1.92191.019
CITRULLINECitrullineME2362089750-0.78174.0866
CMPCMPME2362096131-1.04322.0432
Creatine-D3-ME236210--0.9133.0805
CYTIDINE 2',3'-CYCLIC MONO-PHOS-PHATE-ME23621153481030-1.07304.0331
D-GLUCOSAMINE 6-PHOSPHATEGlucosamine 6-phosphateME236212440997-0.72258.0375
D-GLUCURONIC ACID/D-GLUCURONOLACTONE/D-(+)-GALACTU...-ME236213--0.77193.0346
DIHYDROXYACETONE PHOSPHATEDihydroxyacetone phosphateME236214668-0.73168.99
DISACCHARIDE (6C/6C)/2-alpha-D-glucosyl-D-glucose-ME236215--0.79377.0841
D-MANNOSAMINE-ME236216440049-0.68178.0714
DOPAMINEDopamineME236217681-2.85152.0709
D-RIBOSE 5-PHOSPHATE/RIBULOSE 5-PHOSPHATERiboseME236218--0.72229.0108
D-SACCHARIC ACIDGlucaric acidME23621933037-0.73209.0295
Eicosapentaenoic AcidEicosapentaenoic acidME236220446284-15.29301.2161
Erythrose 4-PhosphateErythrose 4-phosphateME236221122357C002790.75198.9994
FERULATEtrans-Ferulic acidME236222445858-8.47193.0491
Fumaric Acid_R1Fumaric acidME236223-C001222115.003
Fumaric Acid_R2Fumaric acidME236224-C001221.95115.003
GLUCONIC ACID/D-GULONIC ACID GAMA-LACTONEGluconic acid/GulonolactoneME236225--0.76195.0503
GLUCOSE/FRUCTOSE_R1HexoseME236226-C00293/C014960.74215.032
GLUCOSE/FRUCTOSE_R2HexoseME2362275793-0.74217.0292
GLUTARATEGlutaric acidME236228743-4.68131.0348
GLUTATHIONEGlutathioneME236229124886-1.58306.0753
GlyceraldehydeGlyceraldehydeME236230751C021540.7289.0236
GLYCERIC ACIDGlyceric acidME236231439194-0.81105.018
GLYCEROL 2-PHOSPHATE/SN-GLYCEROL 3-PHOSPHATE-ME236232--0.73171.0055
GLYCOLATEGlycolic acidME236233757-0.8775.0079
GuanosineGuanosineME2362346802-6.26282.083
HOMOCYSTEINEHomocysteineME236235778-0.9134.0279
ISOCITRIC ACIDIsocitric acidME2362361198-1.13191.0189
Kynurenic AcidKynurenic acidME2362373845-7.74188.0345
L-2-PHOSPHOGLYCERIC ACID2-Phosphoglyceric acidME236238439278-0.88184.984
LACTATELactic acidME236239612-1.2289.0236
LACTATE-dimer-ME236240--1.23201.0369
L-ANSERINEAnserineME236241112072-0.84239.1139
L-ARGININEArginineME2362426322-0.69173.1037
L-CARNITINE_R1CarnitineME23624310917-1.14196.0721
L-CARNITINE_R2CarnitineME23624410917-1.02196.0725
L-CYSTATHIONINECystathionineME236245439258-0.7221.0593
L-CYSTEIC ACIDCysteic acidME23624672886-0.73167.9966
L-CYSTEINECysteineME2362475862-0.86120.0121
LEUCINE_R1LeucineME236248857-2.5130.0867
LEUCINE_R2LeucineME236249857-2.7130.0867
L-GLUTAMIC ACIDGlutamic acidME23625033032-0.76146.0453
L-GLUTAMINEGlutamineME2362515961-0.73145.0613
L-HISTIDINEHistidineME2362526274-0.69154.0616
L-ISOLEUCINEIsoleucineME2362536306-2.24130.0867
LL-2,6-DIAMINOHEPTANEDIOATE2,6-Diaminopimelic acidME236254439283-0.84189.0874
L-LYSINELysineME2362555962-0.67145.0977
L-METHIONINEMethionineME2362566137-1.39148.0432
L-Phenylalanine-13C6PhenylalanineME23625771309396-6.27170.0912
L-SERINESerineME2362585951-0.68104.0347
L-TYROSINETyrosineME2362596057-3.38180.0659
L-Tyrosine-13C6TyrosineME23626012144755-3.38186.0859
L-VALINEValineME2362616287-1.11116.071
LysoPC (18:1)LPC 18:1ME236262--13.75566.3438
LysoPE (16:0)LPE 16:0ME236263--13.48452.2762
LysoPE (18:1)LPE 18:1ME236264--13.46478.2919
MALATEMalic acidME23626592824-1.08133.0139
MannitolMannitolME2362666251-0.72181.0707
METHYL BETA-D-GALACTOSIDEMethyl beta-D-galactosideME23626794214-1.04193.0705
N-ACETYL-DL-GLUTAMIC ACIDN-Acetylglutamic acidME236268185-2.19188.0557
N-ACETYL-DL-SERINEN-AcetylserineME236269352294-1.02146.0451
N-ACETYL-D-MANNOSAMINEN-Acetyl-mannosamineME236270439281-0.8256.0585
N-ACETYLGLYCINEN-AcetylglycineME23627110972-1.2116.0347
N-ACETYL-HEXOSAMINE-ME236272--0.83220.0817
N-ACETYL-L-ALANINEN-AcetylalanineME23627388064-2.22130.0503
N-ACETYL-L-ASPARTIC ACIDN-Acetylaspartic acidME23627465065-1.48174.0408
N-ACETYLNEURAMINATEN-Acetylneuraminic acidME236275439197-0.81308.0957
NALPHA-ACETYL-L-LYSINEN(2)-AcetyllysineME23627692907-1.27187.108
N-BOC-L-Aspartic Acid_R1-ME236277--8.53232.0816
N-BOC-L-Aspartic Acid_R2-ME236278--8.53158.0088
N-BOC-L-tert-Leucine_R1-ME236279--10.88156.066
N-BOC-L-tert-Leucine_R2-ME236280--10.88230.1388
N-BOC-L-Tryptophan_R1-ME236281--11.47303.1337
N-BOC-L-Tryptophan_R2-ME236282--11.47229.0608
N-formyl-L-methionineN-FormylmethionineME236283439750-6.97176.0381
Nicotinamide ribotideNicotinamide ribotideME23628414180-1.09379.0522
NICOTINATENicotinic acidME236285938-1.39122.0241
N-METHYL-L-GLUTAMATE_R1N-Methyl-glutamic acidME236286439377-0.91160.0608
N-METHYL-L-GLUTAMATE_R2N-Methyl-glutamic acidME236287439377-0.84160.0616
NORADRENALINEXi-NorepinephrineME236288439260-0.99168.0659
Pantothenic AcidPantothenic acidME2362896613-6.64218.1024
PICOLINIC ACIDPicolinic acidME2362901018-1.34122.0242
ProlineProlineME236291145742C164350.86114.0554
PyruvatePyruvic acidME236292107735-0.9787.008
QUINATEQuinic acidME2362936508-0.84191.0552
Salicylic Acid-D4Salicylic acidME23629446782907-10141.049
SARCOSINE/BETA-ALANINE-ME236295--0.7488.0396
SEROTONINSerotoninME2362965202-6.92175.0866
SHIKIMATEShikimic acidME2362978742-1.07173.0457
STACHYOSEStachyoseME236298439531-0.99665.2121
SUBERIC ACIDSuberic acidME23629910457-7.74173.0812
SUCCINATESuccinic acidME2363001110-2.28117.0187
Succinic-2,2,3,3-D4 Acid-ME236301--2.25121.0439
Sulfoacetaldehyde_R1SulfoacetaldehydeME236302160226-0.71122.9754
Sulfoacetaldehyde_R2SulfoacetaldehydeME236303160226-0.76122.9754
TARTARIC ACIDTartaric acidME236304444305-0.82149.0085
TAURINETaurineME2363051123-0.68124.0067
THREONINE/HOMOSERINEThreonine/HomoserineME236306--0.72118.0505
TryptophanTryptophanME2363076305-7.67203.0819
Tryptophan-2,3,3-D3TryptophanME236308--7.67206.1005
UracilUracilME2363091174-1.31111.0197
URATE_R1Uric acidME2363101175-1.81167.0203
URATE_R2Uric acidME2363111175-1.98167.0201
URIDINEUridineME2363126029-2.79243.0611
Vanilloylglycine-ME2363133083688-7.71224.0552
Xanthurenic AcidXanthurenic acidME2363145699-7.5204.0294
Xylenesulfonate-ME23631511868-8.24185.0269


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