Return to study ST000248 main page

Analysis: ESI positive ion mode

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
1-AMINOCYCLOPROPANE-1-CARBOXYLATE1-Aminocyclopropanecarboxylic acidME100939535C012340.96102.0557
3'-CMP3'-CMPME1009386131C058221.65324.0591
4-AMINOBUTANOATEgamma-Aminobutyric acidME100935119C003340.82104.0712
4-IMIDAZOLEACETIC ACIDImidazoleacetic acidME10093696215C028351.06127.0505
5-OXO-L-PROLINEPyroglutamic acidME1009377405C018791.94130.0502
AdenineAdenineME100880190C001471.69136.0621
AdenosineAdenosineME10088160961C002126.00268.1041
ADENOSINE 5'-MONOPHOSPHATEAMPME1008826083C000201.78348.0701
AGMATINE SULFATEAgmatineME100883199C001790.78131.1294
ALPHA-AMINOADIPATEAminoadipic acidME100884469C009560.79162.0761
ArginineArginineME1008856322C000620.78175.1192
BETAINEBetaineME100886247C007190.87118.0867
Caffeine-D3-ME10088713001298-7.98198.1065
CMPCMPME1008886131C000551.13324.0591
Creatine-D3-ME100889--0.97135.0960
CreatinineCreatinineME100890588C007911.04114.0666
CYTIDINECytidineME1008916175C004751.84244.0929
CYTOSINECytosineME100892597C003800.95112.0509
D-(-)-ARABINOSEArabinoseME10089366308-0.83173.0422
D-(+)-GLUCOSAMINEGlucosamineME100894441477C083490.78180.0869
D-GLUCOSAMINE 6-PHOSPHATEGlucosamine 6-phosphateME100895440997C003520.71260.0531
D-GLUCOSE-6-PHOSPHATEGlucose 6-phosphateME1008965958C000920.71261.0373
DIETHANOLAMINEDiethanolamineME1008978113C067720.80106.0868
GlutamineGlutamineME1008985961C003030.78147.0765
GLYCEROLGlycerolME100899753C001160.84115.0370
GMPGMPME1009006804C001442.04364.0652
GUANINEGuanineME100901764C002421.68152.0567
GuanosineGuanosineME1009026802C003876.38284.0987
HYPOXANTHINEHypoxanthineME100903790C002622.17137.0460
L-HISTIDINOLL-HistidinolME100904165271C008600.76142.0976
L-IsoleucineIsoleucineME1009056306C164342.48132.1021
L-METHIONINEMethionineME1009066137C000731.54150.0585
L-ORNITHINEOrnithineME1009076262C000770.69133.0974
LysoPC(20:4(8Z,11Z,14Z,17Z))LPC 20:4ME10090853480469-13.65544.3376
MANNOSEMannoseME10090918950C001590.78203.0528
N-ACETYL-D-GALACTOSAMINEN-Acetyl-D-galactosamineME10091235717C011320.88244.0793
N-ACETYLNEURAMINATEN-Acetyl-alpha-neuraminic acidME100913439197C002700.82310.1132
N-ACETYLPUTRESCINEN-AcetylputrescineME100914122356C027141.29131.1182
NICOTINAMIDENiacinamideME100915936C001531.78123.0557
N-METHYL-D-ASPARTIC ACIDN-Methyl-D-aspartic acidME10091622880C122690.80148.0605
NORLEUCINENorleucineME10091721236C019332.92132.1021
PhenylalaninePhenylalanineME1009186140C020576.53166.0866
Phenylalanine-HCOOH-ME100919-C02057-COOH6.53120.0811
PHOSPHOCHOLINECholine phosphateME100920135437-0.78184.0736
ProlineProlineME100921145742C164350.91116.0711
PUTRESCINEPutrescineME1009221045C001340.7389.1080
SPERMIDINESpermidineME1009231102C003150.71146.1654
SPERMINESpermineME1009241103C007500.75203.2233
ThreonineThreonineME1009256288C001880.78120.0659
TRANS-CINNAMATEtrans-Cinnamic acidME100926444539C004239.89149.0597
TryptophanTryptophanME1009276305C008067.79205.0973
Tryptophan-2,3,3-D3TryptophanME100928--7.79208.1161
Tryptophan-2,3,3-D3-NH3TryptophanME100929--7.79191.0895
TyrosineTyrosineME1009306057C015363.74182.0813
UMPUMPME1009316030C001051.28325.0434
URACILUracilME1009321174C001061.52113.0350
URIDINEUridineME1009336029C002993.04267.0589
UROCANATEUrocanic acidME1009341549103-2.23139.0505


Analysis: ESI negative ion mode

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
10,16-Dihydroxyhexadecanoic acid_R1-ME100962441449C0828512.39287.2223
10,16-Dihydroxyhexadecanoic acid_R2-ME100963441449C0828512.88287.2223
10,16-Dihydroxyhexadecanoic acid_R3-ME100964441449C0828511.99287.2224
10-Oxodecanoate10-Oxodecanoic acidME10096819734156C0221712.46185.1176
12-Hydroxydodecanoic acid_R112-Hydroxy lauric acidME10096979034C0831712.77215.1643
12-Hydroxydodecanoic acid_R212-Hydroxy lauric acidME10097079034C0831711.03215.1643
13(S)-HPOT_R113S-HpOTrEME1009715497123C0478513.65309.2072
13(S)-HPOT_R213S-HpOTrEME1009725497123C0478513.98309.2072
1-(4-carboxybutanamido)-1'-(dimethylcarbamoyl)ferr...-ME100960--11.64385.0879
14-Dihydroxycornestin-ME1009735281160C0848312.74307.1163
16-Dehydroprogesterone-ME100974101964C0320714.98311.2019
16-Hydroxypalmitate_R1Juniperic acidME10097510466C1821813.38271.2280
16-Hydroxypalmitate_R2Juniperic acidME10097610466C1821815.19271.2280
1,6-Naphthalenedisulfonic acid-ME10096110676C161931.30286.9696
16-Oxo-palmitate-ME10097715931626C1961415.25269.2120
1-Deoxy-D-altro-heptulose 7-phosphate1-Deoxy-D-altro-heptulose 7-phosphateME10097815942876C043590.71273.0379
1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-ph...PE 16:0_18:1ME10097959834030C1387716.61716.5206
1-Hydroxy-2-naphthoate1-Hydroxy-2-naphthoateME1009806844C032031.30187.0412
1-Naphthalenesulfonic acidNaphthalene-1-sulfonic acidME1009816812C162018.78207.0111
(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid_R...(1R,2R)-3-Oxo-2-pentyl-cyclopentanehexanoic acidME10094116061079-14.17267.1966
(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid_R...(1R,2R)-3-Oxo-2-pentyl-cyclopentanehexanoic acidME10094216061079-14.02267.1967
(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid_R...(1R,2R)-3-Oxo-2-pentyl-cyclopentanehexanoic acidME10094316061079-14.46267.1966
2,2-Dimethyl-3-[4-(acetyloxy)phenyl]-4-ethyl-2H-1-...-ME100982256418C1505013.07379.1555
2,3-Dihydroxycyclopentaneundecanoic acid-ME100983243756C1498711.56285.2072
2,3-Dihydroxy-p-cumate-ME10098454675852C0658011.79195.0655
2,3-DimethylmaleateDimethyl maleateME1009853032309C009220.79143.0336
2,4-Dichlorobenzoate2,4-Dichlorobenzoic acidME1009864294268C0667011.46188.9507
2,4-Dinitrophenol2,4-DinitrophenolME1009871493C0249611.23183.0037
2,5-Dioxopentanoate_R1-ME10098821872870C004333.87129.0180
2,5-Dioxopentanoate_R2-ME10098921872870C004330.83129.0180
2-Aceto-2-hydroxybutanoate_R1-ME10099021C006597.18145.0496
2-Aceto-2-hydroxybutanoate_R2-ME10099121C006593.97145.0494
2-Chloro-1,4-naphthoquinone2-Chloro-1,4-naphthoquinoneME10099213891C037538.50190.9904
2-Dehydro-D-xylonate-ME100993439852C029282.36163.0237
2-deoxy-D-galactose (fructose/glucose)-ME100994--1.01163.0602
(2E)-hexenedioylcarnitine-ME100944--11.92286.1300
2-Ethylhexyl phthalate_R1Monoethylhexyl phthalic acidME100995-C0334313.66277.1442
2-Ethylhexyl phthalate_R2Monoethylhexyl phthalic acidME100996-C0334312.81277.1442
2-Ethylhexyl phthalate_R3Monoethylhexyl phthalic acidME100997-C0334314.71277.1442
2-hydroxy-10-undecenoic acid_R1-ME1010035312742-12.73199.1334
2-hydroxy-10-undecenoic acid_R2-ME1010045312742-11.45199.1334
2-Hydroxy-2,4-pentadienoate_R1-ME10100554675827C005960.79113.0230
2-Hydroxy-2,4-pentadienoate_R2-ME10100654675827C005966.01113.0229
2-hydroxy enanthoic acid_R12-Hydroxy enanthoic acidME1009982750949-8.38145.0857
2-hydroxy enanthoic acid_R22-Hydroxy enanthoic acidME1009992750949-8.75145.0857
2-hydroxy hendecanoic acid_R1-ME1010005282899-12.14201.1489
2-hydroxy hendecanoic acid_R2-ME1010015282899-11.74201.1489
2-hydroxy pelargonic acid-ME1010025282897-10.61173.1173
2-hydroxy-pentadecanoic acid_R1-ME1010075282903-12.37257.2117
2-hydroxy-pentadecanoic acid_R2-ME1010085282903-13.65257.2118
2-HYDROXYPHENYLACETIC ACID2-Hydroxyphenylacetic acidME10100911914C019837.81151.0390
2-hydroxy-tridecanoic acid_R1-ME1010105282901-12.99229.1802
2-hydroxy-tridecanoic acid_R2-ME1010115282901-11.49229.1802
2-hydroxy-tridecanoic acid_R3-ME1010125282901-13.41229.1802
2-Isopropylmaleate_R1IsopropylmaleateME1010135280533C026317.71157.0495
2-Isopropylmaleate_R2IsopropylmaleateME1010145280533C026316.99157.0495
2-Isopropylmaleate_R3IsopropylmaleateME1010155280533C026318.37157.0495
2-Isopropylmaleate_R4IsopropylmaleateME1010165280533C0263110.91157.0495
2-Methylaminoadenosine-ME101017439946C0321811.65295.1169
2-methyl-dodecanedioic acid_R1-ME1010189543654-11.62243.1601
2-methyl-dodecanedioic acid_R2-ME1010199543654-11.31243.1601
2''-O-Galloylisovitexin-ME10102044257729-11.28583.1101
2-Oxo-3-hydroxy-4-phosphobutanoate2-Oxo-3-hydroxy-4-phosphobutanoic acidME10102125245610C060548.42212.9786
2-Oxobutanoate_R13-Methyl pyruvic acidME10102258C001090.79101.0231
2-Oxobutanoate_R23-Methyl pyruvic acidME10102358C001096.41101.0230
2-Oxooctadecanoic acid2-Oxo-octadecanoic acidME101024439332C0086914.03297.2430
2S-Hydroxytetradecanoic acid_R1-ME101025656737C1379014.02243.1961
2S-Hydroxytetradecanoic acid_R2-ME101026656737C1379012.03243.1961
3-(2-Hydroxyphenyl)propanoate_R13-(2-Hydroxyphenyl)propanoic acidME1010276930705C0119811.77165.0548
3-(2-Hydroxyphenyl)propanoate_R23-(2-Hydroxyphenyl)propanoic acidME1010286930705C0119812.27165.0548
3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-i...9,17-Dioxo-1,2,3,4,10,19-hexanorandrostan-5-oic acidME10103515944652C201999.83237.1128
3,4-Dihydroxyphenylethyleneglycol3,4-DihydroxyphenylglycolME10102991528C055768.10169.0496
3,5,6,7,2',3',4'-Heptahydroxyflavone-ME10103014376433-10.66333.0224
3,5-Dinitroguaiacol-ME10103114345197C1710111.35213.0147
3,6-dioxo-decanoic acid_R13,6-Dioxo-decanoic acidME1010325312880-9.23199.0967
3,6-dioxo-decanoic acid_R23,6-Dioxo-decanoic acidME1010335312880-9.47199.0967
3,6-dioxo-decanoic acid_R33,6-Dioxo-decanoic acidME1010345312880-9.58199.0967
3'-Bromo-6'-hydroxy-2',4,4'-trimethoxychalcone_R1-ME10103611111982-1.28391.0159
3'-Bromo-6'-hydroxy-2',4,4'-trimethoxychalcone_R2-ME10103711111982-2.03391.0160
3'-CMP3'-CMPME1010386131C058221.65322.0441
3E,5E-tridecadienoic acid_R13E,5E-Tridecadienoic acidME1010395312396-11.79209.1542
3E,5E-tridecadienoic acid_R23E,5E-Tridecadienoic acidME1010405312396-11.13209.1541
3-Hydroxy-2-methylpyridine-4,5-dicarboxylate3-Hydroxy-2-methylpyridine-4,5-dicarboxylateME10104154683777C0460410.43196.0245
3-Hydroxyanthranilate3-Hydroxyanthranilic acidME10104286C0063214.25152.0342
3-hydroxy-dodecanedioic acid_R13-Hydroxy-dodecanedioic acidME10104316663321-8.95245.1394
3-hydroxy-dodecanedioic acid_R23-Hydroxy-dodecanedioic acidME10104416663321-9.89245.1394
3-Methyl-2-oxobutanoic acid_R1Ketoisovaleric acidME10104549C001414.59115.0386
3-Methyl-2-oxobutanoic acid_R2Ketoisovaleric acidME10104649C001417.11115.0386
3-Oxododecanoic acid_R13-Oxododecanoic acidME101047439717C0236712.01213.1489
3-Oxododecanoic acid_R23-Oxododecanoic acidME101048439717C0236711.25213.1489
3S-bromobutanoic acid-ME101049637089-0.72164.9559
4,4'-Diaminostilbene dihydrochloride_R1-ME10105011954176C1545213.01281.0625
4,4'-Diaminostilbene dihydrochloride_R2-ME10105111954176C1545212.53281.0625
4,7-dioxo-octanoic acid-ME101052244084-8.88171.0654
4-Chlorophenoxyacetate-ME1010533794534C0708812.22185.0000
4-COUMARATE4-Hydroxycinnamic acidME101054637542C067388.29163.0390
4-GUANIDINOBUTANOATE4-Guanidinobutanoic acidME101055500C010351.87144.0765
4-Heptyloxyphenol_R14-HeptyloxyphenolME10105625641C1423611.13207.1383
4-Heptyloxyphenol_R24-HeptyloxyphenolME10105725641C1423612.33207.1383
4-Heptyloxyphenol_R34-HeptyloxyphenolME10105825641C1423611.77207.1383
4-Hydroxybenzoate_R14-Hydroxybenzoic acidME101059135C0015610.13137.0230
4-Hydroxybenzoate_R24-Hydroxybenzoic acidME101060135C001568.08137.0231
4-Hydroxyphenylacetatep-Hydroxyphenylacetic acidME101061127C0064211.16151.0390
4-Imidazolone-5-propanoate-ME101062128C036801.38155.0449
4-keto pentadecanoic acid-ME1010635282993-12.75255.1959
4'-Methoxychalcone-ME101064641818-0.80237.0912
4-METHYL-2-OXO-PENTANOIC ACIDKetoleucineME10106570C002337.25129.0545
4-Nitrophenol4-NitrophenolME101066980C0087010.48138.0184
4-Pyridoxate4-Pyridoxic acidME1010676723C008476.05182.0448
4-Pyridoxolactone4-PyridoxolactoneME101068151228C009716.56164.0342
5-Acetylamino-6-formylamino-3-methyluracil5-Acetylamino-6-formylamino-3-methyluracilME101069108214C163650.79225.0613
5-Amino-6-(5'-phosphoribosylamino)uracil-ME101070439462C012688.99353.0485
5-Guanidino-2-oxopentanoate2-OxoarginineME101071558C037711.19172.0716
5-hydroperoxy-7-[3,5-epidioxy-2-(2-octenyl)-cyclop...-ME1010725282868-13.02353.2001
5-Hydroxyindoleacetylglycine5-HydroxyindoleacetylglycineME101073440806C058328.28247.0738
5-Hydroxypentanoate_R15-Hydroxyvaleric acidME1010745459830C028044.36117.0543
5-Hydroxypentanoate_R25-Hydroxyvaleric acidME1010755459830C028046.05117.0543
5-O-Methylembelin5-O-MethylembelinME101076171489C1037313.90307.1945
5-Oxo-1,2-campholide_R15-Oxo-1,2-campholideME101077439864C0295210.68181.0859
5-Oxo-1,2-campholide_R25-Oxo-1,2-campholideME101078439864C0295211.26181.0858
5-Oxo-1,2-campholide_R35-Oxo-1,2-campholideME101079439864C0295210.39181.0859
5-oxo-7-octenoic acid_R15-Oxo-7-octenoic acidME1010805312943-9.97155.0701
5-oxo-7-octenoic acid_R25-Oxo-7-octenoic acidME1010815312943-10.32155.0701
5-oxo-7-octenoic acid_R35-Oxo-7-octenoic acidME1010825312943-8.53155.0701
5-OXO-L-PROLINEPyroglutamic acidME1010837405C018791.93128.0340
5''-Phosphoribostamycin-ME10108470678656C1800416.37533.1822
6-(2-Chloroallylthio)purine-ME1010853247797C153971.30224.9989
6-BenzylaminopurineCytokinin BME10108662389C1126313.32224.0925
6-Paradol-ME10108794378C1048213.36277.1805
(6S,9R)-Vomifoliol_R1(6S,9R)-VomifoliolME1009455280462C0176012.57223.1331
(6S,9R)-Vomifoliol_R2(6S,9R)-VomifoliolME1009465280462C0176011.80223.1332
7-oxo-11E-Tetradecenoic acid-ME10108844256505-13.74239.1650
8-Amino-7-oxononanoate-ME101089173C010928.34186.1124
8-Azaadenosine_R18-AzaadenosineME10109096410C112659.22267.0847
8-Azaadenosine_R28-AzaadenosineME10109196410C1126510.77267.0870
8-Epiiridotrial glucoside8-Epiiridotrial glucosideME101092155942C116529.13343.1398
9,12,13-TriHOME_R19,12,13-TriHOMEME1010939858729C1483311.15329.2333
9,12,13-TriHOME_R29,12,13-TriHOMEME1010949858729C1483311.77329.2333
9-Hydroxybenzo[a]pyrene-4,5-oxide-ME101095115064C148540.83283.0777
9-Oxononanoic acid9-Oxo-nonanoic acidME10109675704C1632210.10171.1015
(9R,10R)-Dihydroxyoctadecanoic acid_R1-ME10094712235228C0831413.07315.2535
(9R,10R)-Dihydroxyoctadecanoic acid_R2-ME10094812235228C0831412.89315.2533
(9R,10R)-Dihydroxyoctadecanoic acid_R3-ME10094912235228C0831412.61315.2536
(9Z,12Z)-(8R)-Hydroxyoctadeca-9,12-dienoic acid8R-HODEME1009525281117C0831814.74295.2276
(9Z)-(7S,8S)-Dihydroxyoctadecenoic acid_R1(9Z)-(7S,8S)-Dihydroxyoctadecenoic acidME1009505281030C0735513.81313.2388
(9Z)-(7S,8S)-Dihydroxyoctadecenoic acid_R2(9Z)-(7S,8S)-Dihydroxyoctadecenoic acidME1009515281030C0735513.39313.2383
AbscisateAbscisic acidME1010975280896C0608212.05263.1290
Acrylic acidAcrylic acidME1010986581C005110.7971.0124
Adenine_R1AdenineME101099190C001471.77134.0459
Adenine_R2AdenineME101100190C001476.02134.0460
ADENOSINE 5'-MONOPHOSPHATEAMPME1011036083C000201.79346.0553
Adenosine_R1AdenosineME10110160961C002120.88266.0878
Adenosine_R2AdenosineME10110260961C002126.01266.0897
ADP_R1ADPME1011046022C000081.14426.0220
ADP_R2ADPME1011056022C0000813.88426.0264
ADP-riboseADP-riboseME101106192C003011.18558.0642
AL-321-ME101107194620C1730311.92354.1174
alpha,beta-Didehydrotryptophanalpha,beta-DidehydrotryptophanME1011085280990C067320.97201.0677
ALPHA-HYDROXYISOBUTYRIC ACID2-Hydroxyisobutyric acidME10110911671-2.33103.0386
alpha-Oxo-benzeneacetic acid-ME10111011915C021379.20149.0233
AmitroleAmitroleME1011111639C112611.0883.0349
AMP_R1AMPME1011126083C000202.86346.0553
AMP_R2AMPME1011136083C000205.92346.0553
AnisatinAnisatinME101114115121C092949.52327.1088
Antimony trichloride-ME10111524814C152350.86224.8030
Apiole_R1ApioleME10111610659C1042911.55221.0814
Apiole_R2ApioleME10111710659C104299.65221.0813
ArginineArginineME1011186322C000620.79173.1032
Artonol CArtonol CME10111910839101-12.51499.1713
Aspartic acidAspartic acidME1011205960C164330.74132.0290
Aspulvinone HAspulvinone HME10112125245780C0200812.51431.1832
Aucubin_R1AucubinME10112291458C097718.90345.1184
Aucubin_R2AucubinME10112391458C097718.50345.1184
Azelaic acidAzelaic acidME1011242266C082619.34187.0965
Bakkenolide A_R1Bakkenolide AME101125442173C0935014.33233.1545
Bakkenolide A_R2Bakkenolide AME101126442173C0935013.70233.1545
Bakkenolide A_R3Bakkenolide AME101127442173C0935014.06233.1545
BenzamideBenzamideME1011282331C098156.56120.0440
BENZOATEBenzoic acidME101131243C001808.72121.0281
Benzyl (2R,3S)-2-methyl-3-hydroxybutanoate-ME101132440386C0456111.77207.1021
beta-Cymaropyranosebeta-CymaropyranoseME101133441417C082346.85161.0808
Boscalid-ME101134213013C185470.71341.0254
BotrydialBotrydialME101135185781C0962212.30309.1710
Butopyronoxyl-ME10113610760C1914210.57225.1126
Calcium salicylate-ME101137517068C1960013.25313.0052
Catechin 5,7,3'-trimethyl ether-ME10113811067541-12.05331.1155
CerP(d18:1/2:0)CerP 18:1;O2/2:0ME10113915199918-12.66420.2498
ChaparrinoneChaparrinoneME10114073154C0875712.30377.1575
Chinomethionat-ME10114117109C1451411.35232.9850
Chloroacetic acid-ME101142300C067551.8192.9734
Choline phosphateCholine phosphateME101143135437C005888.03183.0654
Chrysoidine free base_R1-ME10114410317C1461710.56211.0970
Chrysoidine free base_R2-ME10114510317C1461710.19211.0970
ChymostatinChymostatinME101146443119C1130812.72606.3019
CI Basic red 9-ME10114711292C192101.11322.1138
cis-1,2-Dihydro-3-ethylcatecholcis-1,2-Dihydro-3-ethylcatecholME101148441155C067278.03139.0752
cis-2,3-Dihydroxy-2,3-dihydro-p-cumate_R1-ME1011499543088C065799.52197.0811
cis-2,3-Dihydroxy-2,3-dihydro-p-cumate_R2-ME1011509543088C065799.09197.0811
cis-2-Carboxycyclohexyl-acetic acid_R1cis-2-Carboxycyclohexyl-acetic acidME101151656884C141128.57185.0812
cis-2-Carboxycyclohexyl-acetic acid_R2cis-2-Carboxycyclohexyl-acetic acidME101152656884C141129.04185.0812
CITRAMALATECitramalic acidME1011531081C008152.32147.0286
Clionamide-ME10115423424664C170922.04430.0385
CMPCMPME1011556131C000551.13322.0440
Coenzyme BCoenzyme BME1011565462265C046287.79342.0767
Coniferyl alcohol_R1Coniferyl alcoholME1011571549095C0059011.27179.0706
Coniferyl alcohol_R2Coniferyl alcoholME1011581549095C0059011.73179.0706
Copper gluconate_R1-ME10115910692C122782.04452.0208
Copper gluconate_R2-ME10116010692C122783.65452.0206
Creatine-D3-ME101161--0.97133.0798
Cucurbic acid_R1Cucurbic acidME1011625281159C0848212.23211.1334
Cucurbic acid_R2Cucurbic acidME1011635281159C0848212.60211.1334
Cyanuric acidCyanuric acidME1011647956C065541.15128.0089
Cycloheptanecarboxylic acidCycloheptanecarboxylic acidME10116515091C121049.01141.0908
Cys-GlyCys-GlyME10116665270C014191.00177.0331
CYTIDINECytidineME1011676175C004751.84242.0777
D-2-Hydroxyisocaproate_R1D-Leucic acidME101170439960C032647.74131.0701
D-2-Hydroxyisocaproate_R2D-Leucic acidME101171439960C032647.06131.0701
D-2-Hydroxyisocaproate_R3D-Leucic acidME101172439960C032647.18131.0701
D-(-)-3-PHOSPHOGLYCERIC ACID3-Phosphoglyceric acidME101168724C005970.72184.9846
D-Arabinono-1,4-lactoneD-Arabinono-1,4-lactoneME10117317723C006520.83147.0286
D-(-)-ARABINOSEArabinoseME10116966308-0.86149.0444
Decarbamoylsaxitoxin_R1-ME10117424941628C2002111.09255.1214
Decarbamoylsaxitoxin_R2-ME10117524941628C2002111.89255.1233
Decarbamoylsaxitoxin_R3-ME10117624941628C2002112.37255.1235
DehydrojuvabioneDehydrojuvabioneME10117785259C0965713.06263.1654
DehydrovomifoliolDehydrovomifoliolME101178688492C0253311.65221.1180
Deoxyribose_R12-Deoxy-riboseME1011795460005C018011.58133.0493
Deoxyribose_R22-Deoxy-riboseME1011805460005C018012.31133.0493
Depdecin_R1DepdecinME1011815283267-9.64227.0921
Depdecin_R2DepdecinME1011825283267-9.51227.0906
Dephospho-CoA3'-Dephospho-CoAME101183444485C008826.85686.1427
D-Erythrose_R1ErythroseME10118494176C017962.33119.0337
D-Erythrose_R2ErythroseME10118594176C017960.79119.0337
D-Erythrose_R3ErythroseME10118694176C017961.71119.0337
D-Erythrose_R4ErythroseME10118794176C017961.31119.0337
Dexamethasone sodium phosphate-ME10118816961C0817511.28515.1220
D-Glucono-1,5-lactoneGluconolactoneME1011897027C001980.83177.0396
DichloroacetateDichloroacetic acidME10119025975C111491.50126.9346
Dichotosin_R1DichotosinME10119144257198-12.02447.1654
Dichotosin_R2DichotosinME10119244257198-11.56447.1654
Dichotosin_R3DichotosinME10119344257198-12.36447.1654
Dihydro-4,4-dimethyl-2,3-furandione_R1-ME10119439C011257.87127.0387
Dihydro-4,4-dimethyl-2,3-furandione_R2-ME10119539C011257.47127.0387
Dihydro-4,4-dimethyl-2,3-furandione_R3-ME10119639C011257.08127.0387
Dihydrolipoate(R)-Dihydrolipoic acidME101197421C021470.85207.0503
Diisopropyl phthalate-ME10119811799C1446811.64249.1133
Dinoseb-ME1011996950C1430214.46239.0668
Dithranol-ME1012002202C0683111.83225.0550
D-LysopineD-lysopineME101201193187C040206.73217.1189
D-myo-Inositol 1,2-cyclic phosphateInositol cyclic phosphateME101202122331C042990.71241.0113
Dodecanedioic acidDodecanedioic acidME10120312736C0267811.11229.1440
D-RIBOSE 5-PHOSPHATERibose 5-phosphateME101204439167C001170.74229.0116
D-SORBITOLSorbitolME101205453C007940.77181.0708
EDTA_R1Edetic acidME1012066049C002840.98291.0836
EDTA_R2Edetic acidME1012076049C002849.97291.0824
Endothal-disodium-ME1012088519C1872413.76229.0091
Enhydrin_R1-ME1012095281441C0940511.47463.1610
Enhydrin_R2-ME1012105281441C0940510.77463.1610
Ethyl 3-(N-butylacetamido)propionate-ME101215104150C188309.56214.1441
Ethyl 3-oxohexanoateEthyl 3-oxohexanoateME101216238498C029758.94157.0860
Ethyl(E,Z)-decadienoate-ME1012195281162C0848612.87195.1379
Ethyl (R)-3-hydroxyhexanoate_R1Ethyl (R)-3-hydroxyhexanoateME101211440150C038649.40159.1014
Ethyl (R)-3-hydroxyhexanoate_R2Ethyl (R)-3-hydroxyhexanoateME101212440150C038649.63159.1014
Ethyl (R)-3-hydroxyhexanoate_R3Ethyl (R)-3-hydroxyhexanoateME101213440150C038649.96159.1014
Ethyl (R)-3-hydroxyhexanoate_R4Ethyl (R)-3-hydroxyhexanoateME101214440150C0386410.37159.1014
Ethyl tiglate_R1Ethyl tiglateME1012175281163C084878.88127.0751
Ethyl tiglate_R2Ethyl tiglateME1012185281163C084878.17127.0751
Euparotin acetate_R1Euparotin acetateME1012205281456C0943510.81417.1554
Euparotin acetate_R2Euparotin acetateME1012215281456C0943511.30417.1554
Euparotin acetate_R3Euparotin acetateME1012225281456C0943511.47417.1555
FenamiphosFenamiphosME10122331070C186590.82302.1005
Ferimzone_R1FerimzoneME1012249013425C1857911.79253.1445
Ferimzone_R2FerimzoneME1012259013425C1857911.13253.1445
Flavanone 7-O-beta-D-glucoside-ME101226440195C0400712.48401.1229
FMNFMNME101227643976C000610.95455.1015
Fructoselysine 6-phosphateFructoselysine 6-phosphateME10122850909832C164890.92387.1145
Furfural diethyl acetal_R1-ME10122983553C1428010.44169.0859
Furfural diethyl acetal_R2-ME10123083553C142809.23169.0858
Furfural diethyl acetal_R3-ME10123183553C142809.41169.0858
Furfural diethyl acetal_R4-ME10123283553C142809.92169.0858
Furmecyclox-ME10123343359C1891215.38250.1449
GDPGDPME1012348977C000351.30442.0173
Gemfibrozil_R1GemfibrozilME1012353463C0702015.07249.1497
Gemfibrozil_R2GemfibrozilME1012363463C0702012.67249.1494
Gibberellin A19_R1-ME10123725200921C0203412.24361.1630
Gibberellin A19_R2-ME10123825200921C0203412.89361.1636
Gibberellin A19_R3-ME10123925200921C0203413.26361.1636
Gibberellin A19_R4-ME10124025200921C0203413.43361.1659
GLUCONIC ACIDGluconic acidME10124110690C002570.83195.0500
Glucose 6-phosphate/Fructose 6-phosphateGlucose 6-phosphateME101242-C000850.71259.0220
Glucose/Fructose [M+Cl]-HexoseME101243-C00293/C014960.77215.0319
GlutamineGlutamineME1012445961C003030.79145.0608
Glutarate_R1Glutaric acidME101245743C004890.80131.0338
Glutarate_R2Glutaric acidME101246743C004896.32131.0338
Glutarate_R3Glutaric acidME101247743C004895.04131.0337
GLUTATHIONEGlutathioneME101248124886C000511.70306.0763
GLYCERALDEHYDEGlyceraldehydeME101249751C021541.3089.0228
GLYCERATEGlyceric acidME101251439194C002580.89105.0180
Glycerophosphoglycerolsn-Glycero-3-phosphoglycerolME101252439964C032740.78245.0430
GMP_R1GMPME1012536804C001442.04362.0510
GMP_R2GMPME1012546804C001443.64362.0510
GossypinGossypinME1012555281621C1005114.96479.0814
Granisetron_R1-ME1012563510C0702312.80311.1866
Granisetron_R2-ME1012573510C0702311.90311.1863
GUANINEGuanineME101258764C002421.68150.0409
GuanosineGuanosineME1012596802C003876.38282.0842
HercynineHercynineME1012605459798C0557512.00197.1173
HistidylleucineHis-LeuME101261189008C0501012.48267.1439
Hydroiodic acid-ME10126224841C055900.85126.9037
HydroxymethylphosphonateHydroxymethylphosphonic acidME10126375795C064550.72110.9840
HYPOXANTHINEHypoxanthineME101264790C002622.18135.0300
IbutilideIbutilideME10126660753C0775313.07383.2410
Imazosulfuron-ME10126792433C1844313.89411.0316
INOSINE 5'-PHOSPHATEIMPME1012708582C001301.94347.0395
Inosine_R1InosineME1012686021C002946.27267.0734
Inosine_R2InosineME1012696021C002940.93267.0724
Isosorbide dinitrateIsosorbide DinitrateME1012716883C074567.18235.0195
karalicin_R1-ME101272--8.59283.1184
karalicin_R2-ME101273--8.77283.1184
L-2,3-Dihydrodipicolinate-ME1012745460228C0334010.70168.0293
Lasiocarpine-ME1012756321388C1034112.66410.2221
L-Cladinose_R1L-CladinoseME1012765460588C119177.21175.0964
L-Cladinose_R2L-CladinoseME1012775460588C1191711.23175.0964
LeupeptinLeupeptinME101278189069C0159115.88425.2912
L-Homocystine_R1HomocystineME101279439579C018177.74267.0464
L-Homocystine_R2HomocystineME101280439579C018173.04267.0476
Lichenin_R1LicheninME101281-C004780.79161.0444
Lichenin_R2LicheninME101282-C004785.86161.0444
L-Tyrosine methyl esterMethyl tyrosinateME10128370652C0340413.45194.0815
(+)-Luguine-ME100940442317C095750.87334.0754
Methyl 2-diazoacetamidohexonateMethyl 2-diazoacetamidohexonateME101284439447C0122310.39213.1128
Monomethyl sulfateMethyl sulfateME1012856412C027040.89110.9743
MYO-INOSITOLMyo-inositolME101286892C001370.79179.0553
N-(6-Aminohexanoyl)-6-aminohexanoate-ME1012875245705C012558.38243.1709
N-Acetyl-4-O-acetylneuraminate-ME101288440197C040151.86350.1096
N-ACETYL-D-GLUCOSAMINEN-Acetyl-D-glucosamineME101289439174C001400.88220.0824
N-ACETYL-DL-SERINEN-AcetylserineME101290352294-1.13146.0447
N-ACETYL-D-MANNOSAMINEN-Acetyl-mannosamineME101291439281-0.85256.0593
N-ACETYL-L-ASPARTIC ACIDN-Acetylaspartic acidME10129265065C010421.54174.0397
N-Acetyl-L-leucineN-AcetylleucineME10129375619C0271011.38172.0968
N-ACETYLNEURAMINATEN-Acetyl-alpha-neuraminic acidME101294439197C002700.83308.0988
Nalbuphine_R1NalbuphineME1012955311304C0725116.03356.1870
Nalbuphine_R2NalbuphineME1012965311304C0725115.59356.1870
N-Benzoyl-4-methoxyanthranilate-ME1012979548581C0420811.43270.0782
NevirapineNevirapineME1012984463C0726314.12265.1079
NidificeneNidificeneME10129914865953C1711611.50394.9762
Nifuradene-ME1013009568055C192720.81223.0454
N-METHYL-D-ASPARTIC ACIDN-Methyl-D-aspartic acidME10130122880C122690.81146.0447
Norethindrone acetate_R1-ME1013025832C0815213.72339.1996
Norethindrone acetate_R2-ME1013035832C0815214.06339.1996
OROTATEOrotic acidME101304967C002951.25155.0088
Oxaloglutarate2-Oxaloglutaric acidME101305440718C055332.18203.0180
Paeoniflorigenone-ME101306133475C1745311.64317.1009
PC(15:0/0:0)LPC 15:0ME101307--14.58480.3096
PC(15:0/18:2(9Z,12Z))PC 15:0_18:2ME101308--16.90742.5365
PC(15:1(9Z)/0:0)_R1LPC 15:1ME101309--13.53478.2941
PC(15:1(9Z)/0:0)_R2LPC 15:1ME101310--13.18478.2941
PC(15:1(9Z)/0:0)_R3LPC 15:1ME101311--12.78478.2944
PC(16:0/5:0(CHO))-ME101312--13.93592.3612
PE(18:2(9Z,12Z)/0:0)LPE 18:2ME101313--13.01476.2787
PE(20:3(8Z,11Z,14Z)/0:0)LPE 20:3ME101314--13.42502.2932
PG(18:1(9Z)/0:0)LPG 18:1ME101315--13.16509.2889
PhenazopyridinePhenazopyridineME1013164756C0742911.56212.0921
Phenelzine sulfate-ME10131761100C074317.75233.0583
Phenyl acetatePhenylacetic acidME10131831229C0054810.60135.0438
PhenylpyruvatePhenylpyruvic acidME101319997C001669.49163.0390
Phosphoagmatine-ME10132072734288C027269.34209.0788
Phosphonic acid-ME1013213084169C067010.7380.9734
PhthalatePhthalic acidME1013221017C016068.33165.0181
Phytuberin_R1PhytuberinME101323442387C0970912.89293.1757
Phytuberin_R2PhytuberinME101324442387C0970912.24293.1757
Phytuberin_R3PhytuberinME101325442387C0970913.27293.1756
Pimelate_R1Pimelic acidME101326385C026568.00159.0652
Pimelate_R2Pimelic acidME101327385C026566.41159.0653
Pimelate_R3Pimelic acidME101328385C026566.74159.0652
Potassium bicarbonate-ME101329516893C186061.0298.9476
Propanoyl phosphatePropanoyl phosphateME1013301034C028760.80152.9943
Prostaglandin H2PGH2ME101331445049C0042714.23351.2211
PS(16:1(9Z)/0:0)LPS 16:1ME101332--12.26494.2520
PS(17:0/0:0)LPS 17:0ME101333--11.87510.2827
PS(18:1(9Z)/0:0)LPS 18:1ME101334--13.08522.2844
PS(19:0/0:0)LPS 19:0ME101335--12.71538.3160
PS(19:1(9Z)/0:0)PS 19:1(9Z)/0:0ME101336--12.31536.2990
PS(20:3(8Z,11Z,14Z)/0:0)LPS 20:3ME101337--13.53546.2814
PS(20:4(5Z,8Z,11Z,14Z)/0:0)LPS 20:4ME101338--13.07544.2645
PS(21:0/0:0)LPS 21:0ME101339--13.65566.3456
Purine mononucleotide-ME101340444450C0532511.92331.0426
PyridoxalPyridoxalME1013411050C002502.20166.0498
(R)-2-Hydroxystearate_R12-Hydroxystearic acidME10095321145040C0304214.44299.2594
(R)-2-Hydroxystearate_R22-Hydroxystearic acidME10095421145040C0304214.58299.2594
Radium-226-ME1013429877911C164562.97225.0165
RishitinRishitinME101343108064C0971514.12221.1539
(R)-MALATED-Malic acidME10095592824C004971.08133.0129
(R)-Mevalonate_R1Mevalonic acidME1009565288798C004183.96147.0649
(R)-Mevalonate_R2Mevalonic acidME1009575288798C004185.12147.0649
(R)-Mevalonate_R3Mevalonic acidME1009585288798C004182.88147.0649
SakuraninSakuraninME101344348162C1739111.28447.1341
Salidroside_R14-Hydroxyphenyl-2-ethylglucopyranosideME101345159278C060468.88299.1134
Salidroside_R24-Hydroxyphenyl-2-ethylglucopyranosideME101346159278C060468.49299.1134
Salvinorin A-ME101347128563C2019612.18431.1701
ScytaloneScytaloneME1013483477029C0077910.89193.0496
Sebacic acidSebacic acidME1013495192C082779.97201.1123
Shikimate_R1Shikimic acidME1013508742C004936.64173.0444
Shikimate_R2Shikimic acidME1013518742C004932.03173.0444
(S)-MalateMalic acidME100959222656C001492.36133.0129
sn-Glycero-3-phospho-1-inositolsn-Glycero-3-phosphoinositolME10135245480545C012253.05333.0570
Sodium citrate-ME1013536224C132491.30292.9865
StipitatateStipitatic acidME10135420501C018538.56181.0131
Suberic acid_R1Suberic acidME10135510457C082788.68173.0811
Suberic acid_R2Suberic acidME10135610457C082787.60173.0811
SUCCINATESuccinic acidME1013571110C000422.40117.0180
Succinic anhydrideSuccinic anhydrideME1013587922C1952411.9299.0074
SUCROSESucroseME1013595988C000890.95341.1083
SulfasalazineSulfasalazineME1013605353980C073166.34397.0637
Terpendole G-ME10136110411534C2058612.65450.2622
Tetraneurin A_R1Tetraneurin AME101362174868C0955911.79321.1317
Tetraneurin A_R2Tetraneurin AME101363174868C0955911.13321.1318
ThreonateD-Threonic acidME1013645460407C016202.25135.0285
ThreonineThreonineME1013656288C001880.79118.0495
Thymyl acetate_R1-ME10136668252C0990912.71191.1067
Thymyl acetate_R2-ME10136768252C0990912.20191.1067
trans-4-Hydroxycyclohexanecarboxylate_R14-Hydroxycyclohexylcarboxylic acidME10136819034555C044048.69143.0702
trans-4-Hydroxycyclohexanecarboxylate_R24-Hydroxycyclohexylcarboxylic acidME10136919034555C044047.72143.0702
TransfluthrinTransfluthrinME101370656612C134101.07369.0052
Traumatic acid_R1Traumatic acidME1013715283028C1630811.66227.1283
Traumatic acid_R2Traumatic acidME1013725283028C1630810.72227.1283
Tryptophan-2,3,3-D3TryptophanME101373--7.79206.1009
UDP-N-acetyl-alpha-D-glucosamineUDP-GlcNAcME10137416667373C000430.96606.0742
UMP_R1UMPME1013756030C001051.28323.0287
UMP_R2UMPME1013766030C001052.04323.0287
Undecanedioic acidUndecanedioic acidME10137715816-10.56215.1284
URIDINEUridineME1013786029C002993.05243.0622
UrocanateUrocanic acidME1013791549103C007853.40137.0344
Xanthosine 5'-phosphateXMPME10138073323C0065513.89363.0315
Zingerone_R1ZingeroneME10138131211C1749712.79193.0860
Zingerone_R2ZingeroneME10138231211C1749710.55193.0860


  logo