Return to study ST000693 main page

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
11-DEOXYCORTISOL (CAS# 152-58-9); (M+CL)-11-DeoxycortisolME193929440707-15.397346.2161
11-DEOXYCORTISOL (CAS# 152-58-9); (M+HCOO)-11-DeoxycortisolME193930440707-15.392346.2145
16:0-18:0 PC (CAS# 59403-51-9); (M+CL)-PC 16:0_18:0ME19393218631368-25.448761.594
16:0-18:0 PC (CAS# 59403-51-9); (M+HCOO)-PC 16:0_18:0ME19393318631368-25.541761.5907
16:0 LYSO PC (CAS# 17364-16-8); (M+HCOO)-LPC 16:0ME193931460602-22.299495.333
18:0 LYSO-PE (CAS# 69747-55-3); (M-H)-LPE 18:0ME1939349547068-22.669481.3165
1-METHYLADENOSINE (CAS# 15763-06-1); (M+CL)-1-MethyladenosineME19392727476-3.259281.1104
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+HCOO)-MG 18:1ME1939285283468-22.648356.2915
20:0 LYSO PC (CAS# 108341-80-6); (M+CL)-LPC 20:0ME19394424779473-22.726551.3937
20:0 LYSO PC (CAS# 108341-80-6); (M+HCOO)-LPC 20:0ME19394524779473-22.918551.4004
24:0 SM (D18:1/24:0) (CAS# 60037-60-7); (M+HCOO)-SM 18:1;O2/24:0ME19394644260127-27.834814.6944
2-AMINOETHYL DIHYDROGEN PHOSPHATE (CAS# 1071-23-4 ...PhosphoethanolamineME1939371015-0.683141.0183
2'-DEOXYCYTIDINE 5'-MONOPHOSPHATE (CAS# 1032-65-1)...dCMPME19393513945-0.706307.0554
2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+CL)-2-Deoxy-glucoseME193938439268-0.688164.0677
2'-DEOXYINOSINE (CAS# 890-38-0); (M-H)-DeoxyinosineME19393665058-2.092252.0876
2-HYDROXY-3-METHYLBUTYRIC ACID (CAS# 4026-18-0); (...2-Hydroxy-3-methylbutyric acidME193939853180-3.388118.0629
2-HYDROXYBUTYRATE (CAS# ); (M-H)-2-Hydroxybutyric acidME19394011266-1.756104.0477
2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M-H)-2-Methylglutaric acidME19394112046-3.565146.0583
2-METHYLMALEATE (CAS# 498-23-7); (M-H)-Citraconic acidME193942643798-2.401130.0267
2-OXOADIPATE (CAS# 3184-35-8); (M-H)-Oxoadipic acidME19394371-1.486160.0364
3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M-H)...Hydroxyphenyllactic acidME1939479378-3.813182.0578
3BETA-HYDROXY-5ALPHA-PREGNAN-20-ONE (CAS# 516-55-2...3beta-Hydroxy-5alpha-pregnan-20-oneME19395592787-20.519318.259
3BETA-HYDROXYANDROST-5-EN-17-ONE 3-SULFATE (CAS# )...Dehydroepiandrosterone sulfateME19395612594-15.579368.1674
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M-H)...3-Hydroxymethylglutaric acidME1939481662-1.599162.052
3-HYDROXYKYNURENINE (CAS# 2147-61-7); (M-H)-HydroxykynurenineME19394911811-1.093224.0816
3-HYDROXYPHENYLACETATE (CAS# 621-37-4); (M-H)-3-Hydroxyphenylacetic acidME19395012122-7.492152.0464
3-HYDROXYPYRUVIC ACID (CAS# 1113-60-6); (M-H)-Hydroxypyruvic acidME193951964-0.844104.0104
3-METHYGLUTARIC ACID (CAS# 626-51-7); (M-H)-Methylglutaric acidME19395212284-3.555146.0583
3-METHYLADIPIC ACID (CAS# 3058-01-3); (M-H)-3-Methyladipic acidME19395312292-5.701160.0733
3-UREIDOPROPIONIC ACID (CAS# 462-88-4); (M-H)-Ureidopropionic acidME193954111-0.719132.0524
4-HYDROXYBENZOATE (CAS# 99-96-7); (M-H)-4-Hydroxybenzoic acidME193957135-4.014138.0325
4-METHYL-2-OXOPENTANOATE (CAS# 816-66-0); (M-H)-KetoleucineME19395870-4.899130.0626
4-METHYL-2-OXOVALERIC ACID (CAS# 816-66-0); (M-H)-KetoleucineME19395970-4.899130.0626
4-NITROBENZOIC ACID (CAS# 62-23-7); (M-H)-4-Nitrobenzoic acidME193960101532566-8.514167.0219
4-NITROPHENOL (CAS# 100-02-7); (M-H)-4-NitrophenolME193961980-7.037139.0271
4-PYRIDOXATE (CAS# 82-82-6); (M-H)-4-Pyridoxic acidME1939626723-1.903183.0531
5-AMINOPENTANOATE (CAS# 660-88-8); (M-H)-5-Aminopentanoic acidME193966138-0.99117.0781
5'-DEOXYADENOSINE (CAS# 4754-39-6); (M+HCOO)-5'-DeoxyadenosineME193963439182-2.519251.1
5-HYDROXYINDOLEACETATE (CAS# 54-16-0); (M-H)-5-Hydroxyindoleacetic acidME1939671826-4.27191.0585
5-METHYLTETRAHYDROFOLATE (CAS# 134-35-0); (M-H)-5-Methyl-THFME1939689825434-3.664459.1889
5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+CL)-5'-MethylthioadenosineME193964439176-4.487297.0899
5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+HCOO)-5'-MethylthioadenosineME193965439176-4.486297.0896
5-OXOPROLINE (CAS# 4042-36-8); (M-H)-Pyroglutamic acidME1939697405-1.152129.0423
5-VALEROLACTONE (CAS# 542-28-9); (M+HCOO)-5-ValerolactoneME19397010953-1.926100.0531
6-CARBOXYHEXANOATE (CAS# 111-16-0); (M-H)-Pimelic acidME193971385-5.701160.0733
7-AMINOCEPHALOSPORANIC ACID (CAS# 957-68-6); (M-H)...7-Aminocephalosporanic acidME193972441328-1.569272.0445
ACETOACETATE (CAS# 541-50-4); (M-H)-Acetoacetic acidME19397396-2.847102.0322
ADENOSINE 5'-MONOPHOSPHATE (CAS# 61-19-8); (2M-H)+AMPME1939756083-0.963347.0597
ADENOSINE 5'-MONOPHOSPHATE (CAS# 61-19-8); (M-H)-AMPME1939766083-0.954347.0628
ADENOSINE 5'-PHOSPHOSULFATE (CAS# 485-84-7); (M-H)...Adenosine phosphosulfateME19397710238-0.593427.0163
ADENOSINE (CAS# 58-61-7); (M+HCOO)-AdenosineME19397460961-1.657267.0972
ADIPIC ACID (CAS# 124-04-9 ); (M-H)-Adipic acidME193978196-3.555146.0583
ADP-RIBOSE (CAS# ); (M-H)-ADP-riboseME19397933576-0.957559.075
ALLOSE (CAS# 2595-97-3); (M-H)+[-H2O]AlloseME193980439507-1.604180.0638
ALPHA-D-GALACTOSE 1-PHOSPHATE (CAS# 2255-14-3); (M...Galactose 1-phosphateME193981123912-0.726260.0274
ALPHA-HYDROXYISOBUTYRIC ACID (CAS# 594-61-6); (M-H...2-Hydroxyisobutyric acidME193982440873-1.756104.0475
ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+HCOO)-alpha-Linolenic acidME1939835280934-22.847278.2223
ARABITOL (CAS# 7643-75-6); (M+CL)-ArabitolME19398494154-0.671152.0676
ARABITOL (CAS# 7643-75-6); (M+HCOO)-ArabitolME19398594154-0.731152.0673
ARACHIDONATE (CAS# 506-32-1); (M-H)-Arachidonic acidME193986444899-22.707304.2409
ASPARAGINE (CAS# 70-47-3); (M-H)-AsparagineME1939876267-0.719132.0524
ASPARTATE (CAS# 56-84-8); (M-H)-Aspartic acidME1939885960-0.65133.0371
AZELAIC ACID (CAS# 123-99-9); (M-H)-Azelaic acidME1939892266-10.724188.1049
BETA-ALANINE (CAS# 107-95-9); (M-H)-beta-AlanineME193990239-0.64689.0479
BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (CAS# 584-85...AnserineME193991112072-0.622240.1214
BETA-MALTOSE (CAS# 69-79-4); (2M+CL)-[-H2O]MaltoseME193992439186-0.719342.1152
BETA-MALTOSE (CAS# 69-79-4); (2M-H)-[-H2O]MaltoseME193993439186-0.838342.1137
BETA-MALTOSE (CAS# 69-79-4); (M+CL)-MaltoseME193994439186-0.686342.1133
BETA-MALTOSE (CAS# 69-79-4); (M+HCOO)-MaltoseME193995439186-0.777342.1135
BIOTIN (CAS# 58-85-5); (2M-H)-BiotinME19399611966127-5.887244.0875
BIOTIN (CAS# 58-85-5); (M-H)-BiotinME19399711966127-6.254244.0866
BIS-GAMMA-GLUTAMYLCYSTINE (CAS# 23052-19-9); (M-H)...Bis-gamma-glutamylcystineME19399890657696-1.042498.1047
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 4...-ME19399946891735-23.252643.5007
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 4...-ME19400046891735-22.94643.4989
CAPRYLIC ACID (CAS# 124-07-2); (M-H)-Caprylic acidME194001379-10.095144.1149
CATECHOL (CAS# 120-80-9); (M-H)-PyrocatecholME194002289-2.732110.0368
CELLOBIOSE (CAS# 528-50-7); (M+CL)-CellobioseME194003294-0.686342.1133
CHOLATE (CAS# 81-25-4); (2M-H)-Cholic acidME194004221493-20.35408.2875
CHOLATE (CAS# 81-25-4); (M+CL)-Cholic acidME194005221493-20.348408.2853
CHOLATE (CAS# 81-25-4); (M-H)-Cholic acidME194006221493-20.341408.2877
CHOLESTEROL HYDROGEN SULFATE (CAS# 1256-86-6); (M-...Cholesterol sulfateME19400765076-23.964466.3123
CHOLINE PHOSPHATE (CAS# 107-73-3); (M+HCOO)-Choline phosphateME1940081014-0.624183.0651
CIS-11-EICOSENOIC ACID (CAS# 5561-99-9); (M-H)-cis-Gondoic acidME1940095282768-23.257310.2875
CIS-VACCENIC ACID (CAS# 506-17-2); (M-H)-cis-Vaccenic acidME1940105282761-22.929282.2562
CIS-ZEATIN (CAS# 1637-39-4); (M+CL)-cis-ZeatinME194011688597-3.896219.112
CIS-ZEATIN (CAS# 1637-39-4); (M-H)-cis-ZeatinME194012688597-3.892219.1124
CITRAMALATE (CAS# 2306-22-1); (M-H)-Citramalic acidME194013441696-1.351148.0372
CITRATE (CAS# 77-92-9); (M-H)-Citric acidME194014311-0.885192.0273
CORTICOSTERONE (CAS# 50-22-6); (M+CL)-CorticosteroneME1940155753-15.395346.2161
CORTICOSTERONE (CAS# 50-22-6); (M+HCOO)-CorticosteroneME1940165753-15.392346.2145
CORTISONE (CAS# 53-06-5); (M+HCOO)-CortisoneME194017222786-13.38360.1938
CYCLOHEPTANECARBOXYLIC ACID (CAS# 1460-16-8); (M+H...Cycloheptanecarboxylic acidME19401815091-10.724142.0994
CYSTATHIONINE (CAS# 56-88-2); (M-H)-CystathionineME194019439258-0.69222.069
CYSTINE (CAS# 56-89-3); (M-H)-CystineME1940206857538-0.637240.0219
CYTIDINE 5'-DIPHOSPHOCHOLINE (CAS# 987-78-0); (2M-...CDP-cholineME19402213804-0.577488.1119
CYTIDINE 5'-DIPHOSPHOCHOLINE (CAS# 987-78-0); (M+C...CDP-cholineME19402313804-0.75488.1069
CYTIDINE (CAS# 65-46-3); (M-H)-CytidineME1940216175-0.657243.0833
D-(-)-ARABINOSE (CAS# 10323-20-3); (M+HCOO)-ArabinoseME19402466308-0.783150.0517
DEHYDROASCORBATE (CAS# 490-83-5); (M+CL)-L-Dehydroascorbic acidME194034210328-0.801174.015
DEHYDROASCORBATE (CAS# 490-83-5); (M-H)-L-Dehydroascorbic acidME194036210328-0.8174.0163
DEHYDROASCORBATE (CAS# 490-83-5); (M+HCOO)-L-Dehydroascorbic acidME194035210328-0.847174.0168
DEOXYADENOSINE (CAS# 16373-93-6); (M-H)-DeoxyadenosineME19403713730-1.556251.1027
DEOXYCHOLIC ACID (CAS# 83-44-3); (M-H)-Deoxycholic acidME194038222528-21.778392.2908
DEOXYCYTIDINE (CAS# 951-77-9); (M-H)-DeoxycytidineME19404013711-0.618227.0903
DEOXYCYTIDINE (CAS# 951-77-9); (M+HCOO)-DeoxycytidineME19403913711-0.996227.0892
DEOXYURIDINE (CAS# 951-78-0); (M+CL)-DeoxyuridineME19404113712-1.616228.0763
DEOXYURIDINE (CAS# 951-78-0); (M-H)-DeoxyuridineME19404313712-1.637228.0725
DEOXYURIDINE (CAS# 951-78-0); (M+HCOO)-DeoxyuridineME19404213712-1.64228.0733
DEPHOSPHO-COA (CAS# 3633-59-8); (M-H)-3'-Dephospho-CoAME194044444485-3.759687.1456
D-GALACTOSAMINE (CAS# 7535-00-4); (M+CL)-GalactosamineME1940253034366-0.646179.0778
D-GLUCOSAMINE (CAS# 3416-24-8); (M+CL)-GlucosamineME194026439213-0.646179.0778
D-GLUCOSAMINE (CAS# 3416-24-8); (M-H)-GlucosamineME194027439213-0.616179.0782
D-GLUCOSE 6-PHOSPHATE (CAS# 56-73-5); (M-H)-Glucose 6-phosphateME1940285958-0.726260.0274
DGMP (CAS# 902-04-5); (M-H)-dGMPME1940456994968-1.164347.0634
DIACETYL (CAS# 431-03-8); (M+HCOO)-DiacetylME194046650-2.05686.0366
DIHYDROXYMANDELIC ACID (CAS# 775-01-9); (M-H)-Dihydroxymandelic acidME19404785782-0.919184.0371
D-LYXOSE (CAS# 1114-34-7); (M+CL)-LyxoseME19402965550-0.728150.052
D-LYXOSE (CAS# 1114-34-7); (M-H)-LyxoseME19403065550-0.682150.0514
DOCOSAHEXAENOIC ACID (CAS# 6217-54-5 ); (M-H)-Docosahexaenoic acidME194048445580-22.688328.2408
D-ORNITHINE (CAS# 348-66-3); (M-H)-D-OrnithineME1940316262-0.568132.0898
D-PSICOSE (CAS# 551-68-8); (M+CL)-PsicoseME19403290008-0.656180.0625
D-TAGATOSE (CAS# 87-81-0); (M+CL)-D-TagatoseME19403390008-0.656180.0625
EDTA (CAS# 60-00-4); (M-H)-Edetic acidME1940496049-1.159292.0918
ELAIDIC ACID (CAS# 112-79-8); (M-H)-Elaidic acidME194050637517-22.929282.2562
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+CL)-24-epi-BrassinolideME194051115196-19.808480.3452
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+HCOO)...24-epi-BrassinolideME194052115196-19.809480.3458
ETHANOLAMINE PHOSPHATE (CAS# 1071-23-4); (M-H)-PhosphoethanolamineME1940531015-0.696141.0183
ETHYLMALONIC ACID (CAS# 601-75-2); (M-H)-Ethylmalonic acidME19405411756-2.596132.0422
FRUCTOSE (CAS# 57-48-7); (M+CL)-FructoseME1940555984-0.656180.0625
FRUCTOSE (CAS# 57-48-7); (M+HCOO)-FructoseME1940565984-0.674180.0623
FUMARATE (CAS# 110-17-8); (2M-H)-Fumaric acidME194057444972-1.22116.0104
FUMARATE (CAS# 110-17-8); (M-H)-Fumaric acidME194058444972-1.266116.0116
GALACTURONIC ACID (CAS# 91510-62-2); (M-H)-Galacturonic acidME19405984740-0.813194.041
GAMMA-BUTYROLACTONE (CAS# 96-48-0); (M+HCOO)-gamma-ButyrolactoneME1940607302-2.05686.0366
GAMMA-L-GLUTAMYL-L-CYSTEINE (CAS# 686-58-8); (M-H)...gamma-GlutamylcysteineME194061123938-1.003250.0603
GAMMA-LINOLENIC ACID (CAS# 506-26-3); (M+HCOO)-gamma-Linolenic acidME1940625280933-22.847278.2223
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (2M-H)-Gibberellin A3ME1940636466-8.497346.1423
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+CL)-Gibberellin A3ME1940646466-8.502346.1425
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M-H)-Gibberellin A3ME1940656466-8.498346.1418
GLUCARIC ACID (CAS# 87-73-0); (M-H)+[-H2O]Glucaric acidME19406633037-0.724210.0387
GLUCONIC ACID (CAS# 526-95-4); (M-H)-Gluconic acidME19406710690-0.818196.0572
GLUCOSE 1-PHOSPHATE (CAS# 59-56-3); (M-H)-Glucose 1-phosphateME19406965533-0.726260.0274
GLUCOSE (CAS# 50-99-7); (M+CL)-GlucoseME1940685793-0.656180.0625
GLUCURONIC ACID (CAS# 6556-12-3); (M+CL)-Glucuronic acidME19407094715-0.666194.0424
GLUCURONIC ACID (CAS# 6556-12-3); (M-H)-Glucuronic acidME19407194715-0.813194.041
GLUTAMINE (CAS# 56-85-9); (M-H)-GlutamineME1940725961-0.635146.0679
GLUTARATE (CAS# 110-94-1); (M-H)-Glutaric acidME194073743-2.056132.0422
GLUTATHIONE (CAS# 27025-41-8); (M-H)-GlutathioneME194074124886-1.367612.152
GLYCERALDEHYDE 3-PHOSPHATE DIETHYL ACETAL (CAS# 93...Glyceraldehyde 3-phosphate diethyl acetalME1940763334922-3.348244.0716
GLYCERALDEHYDE (CAS# 367-47-5); (2M-H)-[-H2O]GlyceraldehydeME19407579014-1.64790.0309
GLYCEROL 2-PHOSPHATE (CAS# ); (M-H)-sn-Glycero-2-phosphateME1940772526-0.72172.012
GLYCINE (CAS# 56-40-6); (M-H)-GlycineME194078750-0.63475.032
GLYCOCHOLATE (CAS# 475-31-0); (M-H)-Glycocholic acidME19407910140-18.867465.3084
GUANINE (CAS# 73-40-5); (M-H)-GuanineME194080764-0.844151.049
GUANOSINE 5'-PHOSPHATE (CAS# 85-32-5); (M-H)-GMPME1940836804-1363.0605
GUANOSINE (CAS# 118-00-3); (M+CL)-GuanosineME1940816802-1.768283.0927
GUANOSINE (CAS# 118-00-3); (M-H)-GuanosineME1940826802-1.833283.091
HEPTADECANOATE (CAS# 506-12-7); (M-H)-Margaric acidME19408410465-22.999270.2554
HOMOVANILLATE (CAS# 306-08-1); (M-H)-Homovanillic acidME1940851738-5.707182.0564
HYODEOXYCHOLATE (CAS# 83-49-8); (M-H)-Hyodeoxycholic acidME1940865283820-22.889392.2952
HYPOTAURINE (CAS# 300-84-5); (M-H)-HypotaurineME194087107812-0.629109.0188
HYPOXANTHINE (CAS# 68-94-0); (M-H)-HypoxanthineME194088790-1.116136.0377
INDICAN (CAS# 487-60-5); (2M+CL)-[-H2O]IndicanME194089441564-1.025295.107
INOSINE (CAS# 58-63-9); (M+CL)-InosineME1940906021-1.777268.0826
INOSINE (CAS# 58-63-9); (M-H)-InosineME1940916021-1.826268.0813
ISOCITRATE (CAS# 320-77-4); (M-H)-Isocitric acidME1940925318532-0.734192.0269
ISOLEUCINE (CAS# 73-32-5); (M-H)-IsoleucineME1940936306-1.613131.094
ITACONATE (CAS# 97-65-4); (M-H)-Itaconic acidME194094811-1.852130.0274
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (2M-H)-Jasmonic acidME1940955281166-13.139210.1252
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M-H)-Jasmonic acidME1940965281166-13.139210.1258
L-[15N]ANTHRANILIC ACID [ISTD] (CAS# ); (M-H)-2-Aminobenzoic acidME194105227-5.359138.0445
LACTOSE (CAS# 63-42-3); (M+CL)-LactoseME194106440995-0.686342.1133
LACTOSE (CAS# 63-42-3); (M-H)-LactoseME194107440995-0.811342.1147
LANTHIONINE (CAS# 3183-08-2); (M-H)-LanthionineME194108102950-0.838208.0522
L-ARGININE (CAS# 74-79-3); (M-H)-ArginineME1940976322-0.62174.1116
LEUCINE (CAS# 328-39-2); (M-H)-LeucineME1941096106-1.613131.094
LEUKOTRIENE B4 (CAS# 71160-24-2); (M-H)-LTB4ME1941105280492-20.73336.229
L-GULONATE (CAS# 6322-07-2); (M-H)+[-H2O]Gulonic acidME194098152304-0.673196.0569
L-HISTIDINE (CAS# 71-00-1); (M-H)-HistidineME1940996274-0.627155.0691
LINOLEATE (CAS# 60-33-3); (M-H)-Linoleic acidME1941115280450-22.728280.2405
L-METHIONINE SULFOXIMINE (CAS# 15985-39-4); (M-H)-Methionine sulfoximineME19410089034-0.673180.0581
L-ORNITHINE (CAS# 70-26-8); (M-H)-OrnithineME1941016262-0.568132.0898
L-RHAMNOSE (CAS# 10030-85-0); (M+CL)-RhamnoseME19410225310-0.688164.0677
L-RHAMNOSE (CAS# 10030-85-0); (M-H)-RhamnoseME19410325310-0.62164.0692
L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M-H)-TryptophanME19410416217285-3.625206.0842
LUMICHROME (CAS# 1086-80-2); (M-H)-LumichromeME1941125326566-10.913242.0802
LYSINE (CAS# 56-87-1); (M-H)-LysineME1941135962-0.574146.1054
MALATE (CAS# 97-67-6); (M-H)-Malic acidME194115222656-0.867134.0216
MALATE (CAS# 97-67-6); (M-H)+[-H2O]Malic acidME194114222656-0.771134.0205
MALEAMATE (CAS# 557-24-4); (M-H)-MaleamateME1941165280451-0.669115.027
MALEIC ACID (CAS# 110-16-7); (M-H)-Maleic acidME194117444266-1.036116.0116
MALONATE (CAS# 141-82-2); (M-H)-Malonic acidME194118867-0.876104.0104
MALONIC ACID-D4 (CAS# 813-56-9); (M-H)-Malonic acidME194119867-0.876108.0351
MALTOSE (CAS# 69-79-4); (M+CL)-MaltoseME194120439186-0.686342.1133
MALTOSE (CAS# 69-79-4); (M+HCOO)-MaltoseME194121439186-0.777342.1135
MANDELIC ACID (CAS# 611-71-2); (M-H)-Mandelic acidME19412211914-5.63152.0467
MANNOSE-6-PHOSPHATE (CAS# 3672-15-9); (M-H)-Mannose 6-phosphateME194123439198-0.726260.0274
MELIBIOSE (CAS# 585-99-9); (M+CL)-MelibioseME194124440658-0.686342.1133
MELIBIOSE (CAS# 585-99-9); (M+HCOO)-MelibioseME194125440658-0.777342.1135
METHIONINE (CAS# 63-68-3); (M-H)-MethionineME1941266137-1.043149.0499
METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+CL)...Methyl beta-D-galactosideME19412794214-0.953194.0808
METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+HCO...Methyl beta-D-galactosideME19412894214-0.656194.0771
METHYLMALONATE (CAS# 516-05-2); (M-H)-Methylmalonic acidME194129487-1.328118.0271
MONO-METHYL GLUTARATE (CAS# 1501-27-5); (M-H)-Monomethyl glutaric acidME19413073917-3.555146.0583
MYRISTIC ACID (CAS# 544-63-8); (M-H)-Myristic acidME19413111005-22.456228.2089
MYRISTOLEIC ACID (CAS# 544-64-9); (M-H)-Myristoleic acidME1941325281119-22.128226.1928
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M-H)-N-AcetylmethionineME194134448580-4.081191.0615
N-ACETYL-D-TRYPTOPHAN (CAS# 2280-01-5); (M-H)-N-Acetyl-D-tryptophanME194133439917-7.952246.1001
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M-H)-N-AcetylalanineME19413588064-1.521131.0581
N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M-H)-N-Acetylaspartic acidME19413665065-0.649175.0467
N-ACETYL-L-CYSTEINE (CAS# 616-91-1); (M-H)-N-AcetylcysteineME19413712035-3.614324.0442
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M-H)-N-AcetylleucineME19413875619-7.191173.1052
N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M-H)-N-AcetylphenylalanineME19413974839-7.727207.0889
N-ACETYLNEURAMINATE (CAS# 131-48-6); (M-H)-N-Acetylneuraminic acidME194140439197-0.535309.1049
NAD (CAS# 53-84-9); (M-H)-NAD+ME1941455893-0.926663.1115
N-AMIDINO-L-ASPARTATE (CAS# 6133-30-8); (M+CL)-Guanidinosuccinic acidME194141439918-0.785175.0608
NERVONIC ACID (CAS# 506-37-6); (M-H)-Nervonic acidME1941465281120-24.15366.3489
NICOTINAMIDE HYPOXANTHINE DINUCLEOTIDE (CAS# 22052...Nicotinamide purin-6-ol-dinucleotideME194147440334-1.219664.094
NICOTINATE (CAS# 59-67-6); (M-H)-Nicotinic acidME194148938-1.076123.0318
N-NITROSODIETHANOLAMINE (CAS# 1116-54-7); (M+CL)-N-NitrosodiethanolamineME19414214223-0.746134.0695
N-OLEOYLGLYCINE (CAS# 2601-90-3); (2M-H)-N-Oleoyl glycineME1941436436908-22.286339.2746
N-OLEOYLGLYCINE (CAS# 2601-90-3); (M-H)-N-Oleoyl glycineME1941446436908-22.531339.274
NORLEUCINE (CAS# 327-57-1); (M-H)-NorleucineME19414921236-1.613131.094
OLEIC ACID (CAS# 112-80-1); (M-H)-Oleic acidME194151445639-22.929282.2562
OPHTHALMIC ACID (CAS# 495-27-2); (M-H)-Ophthalmic acidME1941527018721-1.227289.1266
OROTATE (CAS# 65-86-1); (M-H)-Orotic acidME194153967-0.875156.0159
O-SUCCINYL-L-HOMOSERINE (CAS# 1492-23-5); (M-H)-o-SuccinylhomoserineME194150439406-0.901219.0758
OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M-2H)-2Oxidized glutathioneME19415465359-1.398612.1522
OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M-H)-Oxidized glutathioneME19415565359-1.367612.152
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (CAS# 120595-...p-AcetamidophenylglucuronideME19415683944-1.948327.0936
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (CAS# 120595-...p-AcetamidophenylglucuronideME19415783944-2.257327.0953
PALATINOSE (CAS# 343336-76-5); (M+CL)-PalatinoseME194158439559-0.686342.1133
PALATINOSE (CAS# 343336-76-5); (M+HCOO)-PalatinoseME194159439559-0.777342.1135
PALMITATE (CAS# 57-10-3); (M-H)-Palmitic acidME194160985-22.847256.2403
PALMITOLEIC ACID (CAS# 373-49-9); (M-H)-Palmitoleic acidME194161445638-22.59254.2247
PANTOTHENATE (CAS# 79-83-4); (M+CL)-Pantothenic acidME1941626613-3.279219.109
PANTOTHENATE (CAS# 79-83-4); (M-H)-Pantothenic acidME1941636613-3.281219.1109
PARAXANTHINE (CAS# 611-59-6); (M-H)-ParaxanthineME1941644687-4.386180.0647
PENTANOATE (CAS# 109-52-4); (M+HCOO)-Valeric acidME1941657991-2.218102.0671
PHENYL ACETATE (CAS# 122-79-2); (M-H)-Phenyl acetateME194167999-3.845136.0532
PHENYL ACETATE (CAS# 122-79-2); (M+HCOO)-Phenyl acetateME194166999-3.813136.0523
PHENYLACETIC ACID (CAS# 103-82-2); (M+HCOO)-Phenylacetic acidME194168999-5.707136.0512
PHENYLALANINE (CAS# 63-91-2); (M-H)-PhenylalanineME1941696140-2.521165.079
PHENYLPYRUVATE (CAS# 156-06-9); (M-H)-Phenylpyruvic acidME194170997-5.515164.0459
PHOSPHOCREATINE (CAS# 67-07-2); (M-H)-PhosphocreatineME1941719548602-1.136211.0376
PICOLINIC ACID (CAS# 98-98-6); (M-H)-Picolinic acidME1941721018-1.065123.0311
PINITOL (CAS# 10284-63-6); (M+CL)-PinitolME194173164619-0.96194.0808
PROPENOATE (CAS# 79-10-7); (M-H)-Acrylic acidME1941746581-1.00172.0218
PROSTAGLANDIN E2 (CAS# 363-24-6); (M+CL)-PGE2ME1941755280360-16.865352.2237
PROSTAGLANDIN E2 (CAS# 363-24-6); (M-H)-PGE2ME1941765280360-16.88352.2232
PROSTAGLANDIN E2 (CAS# 363-24-6); (M-H)-[-H2O]PGE2ME1941775280360-16.908352.223
PTERIN (CAS# 2236-60-4); (M-H)-PterinME19417873000-1.53163.0499
PURINE (CAS# 120-73-0); (M-H)-PurineME1941791044-1.594120.0426
PYRIDOXAL PHOSPHATE (CAS# 853645-22-4); (2M-H)+Pyridoxal 5'-phosphateME1941801051-1.025247.0222
PYRUVATE (CAS# 127-17-3); (M-H)-Pyruvic acidME1941811060-0.71988.0166
RAFFINOSE (CAS# 512-69-6); (M+CL)-RaffinoseME194182439242-0.712504.1673
RAFFINOSE (CAS# 512-69-6); (M+HCOO)-RaffinoseME194183439242-0.81504.1665
RESORCINOL MONOACETATE (CAS# 102-29-4); (M-H)-Resorcinol monoacetateME1941845055-7.504152.0468
RETINOATE (CAS# 302-79-4); (M-H)-Retinoic acidME194185444795-22.286300.2109
RIBITOL (CAS# 488-81-3); (M+CL)-RibitolME19418694154-0.671152.0676
RIBOFLAVIN (CAS# 83-88-5); (M+CL)-RiboflavinME194187493570-7.616376.14
RIBOFLAVIN (CAS# 83-88-5); (M-H)-RiboflavinME194189493570-7.606376.1391
RIBOFLAVIN (CAS# 83-88-5); (M+HCOO)-RiboflavinME194188493570-7.607376.1388
RIBOSE (CAS# 50-69-1); (M+CL)-RiboseME1941905779-0.728150.052
(S)-2-AMINO-3-(3-HYDOXY-4-OXO-4H-PYRIDIN-1-YL)PROP...MimosineME193924440473-0.819198.0658
(S)-3-METHYL-2-OXOPENTANOATE (CAS# 1460-34-0); (M-...3-Methyl-2-oxovaleric acidME19392547-4.494130.0632
S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M-H)-S-AdenosylhomocysteineME194191439155-1.534384.1193
SALICYLATE (CAS# 69-72-7); (M-H)-Salicylic acidME194192338-8.281138.0318
(S)-DIHYDROOROTATE (CAS# 5988-19-2); (M-H)-4,5-Dihydroorotic acidME1939261149667-0.766158.0327
SEBACIC ACID (CAS# 111-20-6); (M-H)-Sebacic acidME1941935192-12.944202.1203
SERINE (CAS# 56-45-1); (M-H)-SerineME194194617-0.627105.0424
SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+...sn-Glycero-3-phosphocholineME194195439285-0.724257.1004
SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+...sn-Glycero-3-phosphocholineME194196439285-0.642257.1005
STACHYOSE (CAS# 54261-98-2); (M+CL)-StachyoseME194197439531-0.719666.2209
STACHYOSE (CAS# 54261-98-2); (M-H)-StachyoseME194199439531-0.821666.2194
STACHYOSE (CAS# 54261-98-2); (M+HCOO)-StachyoseME194198439531-0.839666.2171
STEARATE (CAS# 57-11-4); (M-H)-Stearic acidME1942005281-23.187284.2717
SUBERIC ACID (CAS# 505-48-6); (M-H)-Suberic acidME19420110457-8.249174.089
SUCCINATE (CAS# 110-15-6); (M-H)-Succinic acidME1942021110-1.328118.0271
SUCROSE (CAS# 57-50-1); (M+CL)-SucroseME1942035988-0.686342.1133
SUCROSE (CAS# 57-50-1); (M+HCOO)-SucroseME1942045988-0.777342.1135
TAURINE (CAS# 107-35-7); (M-H)-TaurineME1942051123-0.646125.0143
TAUROLITHOCHOLATE (CAS# 516-90-5); (M-H)-Taurolithocholic acidME194206439763-21.68483.3013
THEOPHYLLINE (CAS# 58-55-9); (M-H)-TheophyllineME1942072153-4.366180.0647
THROMBOXANE B2 (CAS# 54397-85-2); (M-H)-TXB2ME1942085283137-16.519370.2325
THROMBOXANE B2 (CAS# 54397-85-2); (M-H)-[-H2O]TXB2ME1942095283137-16.88370.2338
THYMIDINE (CAS# 50-89-5); (M+CL)-ThymidineME1942105789-2.687242.0905
THYMIDINE (CAS# 50-89-5); (M-H)-ThymidineME1942125789-2.757242.0892
THYMIDINE (CAS# 50-89-5); (M+HCOO)-ThymidineME1942115789-2.761242.0887
TRANS-ACONITATE (CAS# 4023-65-8); (M-H)-trans-Aconitic acidME194213444212-1.198174.0165
TRANS-VACCENIC ACID (CAS# 693-72-1); (M-H)-trans-Vaccenic acidME1942145281127-22.929282.2562
TRICARBALLYLIC ACID (CAS# 99-14-9); (M-H)-1,2,3-Propanetricarboxylic acidME19421514925-1.304176.032
TRICARBALLYLIC ACID (CAS# 99-14-9); (M-H)-[-H2O]1,2,3-Propanetricarboxylic acidME19421614925-1.087176.0311
TRYPTOPHAN (CAS# 73-22-3); (M-H)-TryptophanME1942176305-3.624204.0892
TYROSINE (CAS# 60-18-4); (M-H)-TyrosineME1942186057-1.35181.0735
UDP-GALACTOSE (CAS# 2956-16-3); (M-H)-UDP-galactoseME19421944134987-1.661566.0586
UDP-N-ACETYL-D-GLUCOSAMINE (CAS# 528-04-1); (M-H)-UDP-N-acetylglucosamineME194220445675-1.67607.0814
URACIL 5-CARBOXYLATE (CAS# 23945-44-0); (M-H)-Uracil-5-carboxylic acidME1942226971263-0.875156.0157
URACIL (CAS# 66-22-8); (M-H)-UracilME1942211174-0.891112.0263
URATE (CAS# 69-93-2); (M-H)-Uric acidME1942231175-1.034168.0277
URIDINE-5-MONOPHOSPHATE (CAS# 58-97-9); (M-H)-UMPME1942276030-0.882324.0332
URIDINE (CAS# 58-96-8); (M+CL)-UridineME1942246029-1.367244.07
URIDINE (CAS# 58-96-8); (M-H)-UridineME1942266029-1.377244.0696
URIDINE (CAS# 58-96-8); (M+HCOO)-UridineME1942256029-1.376244.0711
UROCANATE (CAS# 104-98-3); (M-H)-Urocanic acidME194228736715-1.077138.0421
URSODIOL (CAS# 128-13-2); (M-H)-Ursodeoxycholic acidME19423031401-21.696392.2908
URSODIOL (CAS# 128-13-2); (M+HCOO)-Ursodeoxycholic acidME19422931401-21.596392.2922
VALINE (CAS# 72-18-4); (M-H)-ValineME1942316287-0.99117.0781
XANTHINE (CAS# 69-89-6); (M-H)-XanthineME1942321188-1.29152.0336
XANTHOSINE (CAS# 146-80-5); (M-H)-XanthosineME19423364959-2.295284.0762
XANTHURENIC ACID (CAS# 59-00-7); (M-H)-Xanthurenic acidME1942345699-4.61205.0366
XYLOSE (CAS# 58-86-6); (M+HCOO)-XyloseME194235135191-0.783150.0517
ZEATIN [ISTD] (CAS# 13114-27-7); (M+CL)-trans-ZeatinME194236449093-3.896219.112
ZEATIN [ISTD] (CAS# 13114-27-7); (M-H)-trans-ZeatinME194237449093-3.892219.1124


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
10-HYDROXYDECANOATE (CAS# 1679-53-4); (M+NA)+10-Hydroxydecanoic acidME1942486991989-13.851188.1408
11-DEOXYCORTISOL (CAS# 152-58-9); (M+H)+11-DeoxycortisolME194249440707-15.388346.2111
11-DEOXYCORTISOL (CAS# 152-58-9); (M+NA)+11-DeoxycortisolME194250440707-15.39346.2147
16:0-18:0 PC (CAS# 59403-51-9); (M+H)+PC 16:0_18:0ME19425318631368-25.561761.5893
16:0-18:0 PC (CAS# 59403-51-9); (M+NA)+PC 16:0_18:0ME19425418631368-25.537761.5962
16:0 LYSO PC (CAS# 17364-16-8); (M+H)+LPC 16:0ME194251460602-22.296495.3328
16:0 LYSO PC (CAS# 17364-16-8); (M+NA)+LPC 16:0ME194252460602-22.293495.333
18:0 LYSO-PE (CAS# 69747-55-3); (M+H)+LPE 18:0ME1942559547068-22.669481.3157
18:0 LYSO-PE (CAS# 69747-55-3); (M+NA)+LPE 18:0ME1942569547068-22.666481.3191
1-AMINOCYCLOPROPANE-1-CARBOXYLATE (CAS# 22059-21-8...1-Aminocyclopropanecarboxylic acidME1942415460234-0.954101.0473
1-METHYLADENOSINE (CAS# 15763-06-1); (M+H)+1-MethyladenosineME19424227476-3.148281.1127
1-METHYLADENOSINE (CAS# 15763-06-1); (M+NA)+1-MethyladenosineME19424327476-3.209281.1111
1-METHYLNICOTINAMIDE (CAS# ); M+1-Methyl nicotinamideME194244457-0.66137.0718
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+H)+MG 18:1ME1942455283468-22.678356.2898
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+H)+[-H2O...MG 18:1ME1942465283468-22.805356.2901
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+NA)+MG 18:1ME1942475283468-22.703356.2936
20:0 LYSO PC (CAS# 108341-80-6); (M+H)+LPC 20:0ME19426824779473-23.045551.3958
20:0 LYSO PC (CAS# 108341-80-6); (M+NA)+LPC 20:0ME19426924779473-23.011551.3975
24:0 SM (D18:1/24:0) (CAS# 60037-60-7); (M+H)+SM 18:1;O2/24:0ME19427044260127-27.869814.6946
24:0 SM (D18:1/24:0) (CAS# 60037-60-7); (M+NA)+SM 18:1;O2/24:0ME19427144260127-27.832814.6949
2-AMINOBUTANOATE (CAS# 2623-91-8); (M+H)+2-Aminobutyric acidME19426121889526-0.722103.0628
2'-DEOXYCYTIDINE 5'-MONOPHOSPHATE (CAS# 1032-65-1)...dCMPME19425713945-1.196307.0558
2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+NA)+2-Deoxy-glucoseME194262439268-0.733164.0684
2'-DEOXYGUANOSINE (CAS# 961-07-9); (M+H)+DeoxyguanosineME194258187790-1.48267.0977
2'-DEOXYINOSINE (CAS# 890-38-0); (2M+NA)+DeoxyinosineME19425965058-2.09252.0858
2'-DEOXYINOSINE (CAS# 890-38-0); (M+NA)+DeoxyinosineME19426065058-2.071252.0877
2-HYDROXY-3-METHYLBUTYRIC ACID (CAS# 4026-18-0); (...2-Hydroxy-3-methylbutyric acidME194263853180-3.529118.0634
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (CAS# 583-91-...2-Hydroxy-4-(methylthio)butanoic acidME19426411427-3.188150.0345
2-HYDROXYBUTYRATE (CAS# ); (M+NA)+2-Hydroxybutyric acidME19426511266-1.671104.0481
2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M+NA)+2-Methylglutaric acidME19426612046-3.553146.059
2-METHYLPROPANAL OXIME (CAS# 151-00-8); (M+H)+[-H2...2-Methylpropanal oximeME1942679023-0.83387.0692
3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M+NA...Hydroxyphenyllactic acidME1942729378-3.811182.0589
3-DEHYDROSHIKIMATE (CAS# 2922-42-1); (M+H)+[-H2O]3-DehydroshikimateME194273439774-0.973172.0375
3-DEHYDROSHIKIMATE (CAS# 2922-42-1); (M+NA)+3-DehydroshikimateME194274439774-1.301172.0373
3-DEHYDROXYCARNITINE (CAS# 407-64-7); (M+H)+3-DehydroxycarnitineME194275725-0.695145.1091
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M+H)...3-Hydroxymethylglutaric acidME1942761662-1.694162.0543
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M+NA...3-Hydroxymethylglutaric acidME1942771662-1.558162.0517
3-HYDROXYBENZYL ALCOHOL (CAS# 620-24-6); (M+H)+3-Hydroxybenzyl alcoholME194278102-5.69124.0519
3-HYDROXYKYNURENINE (CAS# 2147-61-7); (M+H)+HydroxykynurenineME19427911811-1.283224.0816
3-HYDROXYPHENYLACETATE (CAS# 621-37-4); (M+H)+3-Hydroxyphenylacetic acidME19428012122-8.772152.0461
3-METHOXY-4-HYDROXYMANDELATE (CAS# 55-10-7); M+[-O...Vanillylmandelic acidME194281736172-1.67198.0512
3-METHOXYTYRAMINE (CAS# ); (M+H)+3-MethoxytyramineME1942821669-1.906167.0933
3-METHYGLUTARIC ACID (CAS# 626-51-7); (M+NA)+Methylglutaric acidME19428312284-3.553146.059
3-METHYLADIPIC ACID (CAS# 3058-01-3); (M+NA)+3-Methyladipic acidME19428412292-5.701160.075
3-METHYLHISTAMINE (CAS# 644-42-8); (M+H)+3-MethylhistamineME19428569520-0.549125.0954
3-METHYLXANTHINE (CAS# 1076-22-8); (M+H)+3-MethylxanthineME19428670639-2.298166.0491
3-UREIDOPROPIONIC ACID (CAS# 462-88-4); (M+H)+Ureidopropionic acidME194287111-0.699132.0531
4-ACETAMIDOBUTANOATE (CAS# 3025-96-5); (M+NA)+4-Acetamidobutanoic acidME19428818189-1.872145.0736
4-AMINOBENZOATE (CAS# 150-13-0); (M+H)+p-Aminobenzoic acidME194289978-2.848137.0464
4-AMINOBUTANOATE (CAS# 56-12-2); (M+H)+gamma-Aminobutyric acidME194290119-0.723103.0628
4-HYDROXY-2-QUINOLINECARBOXYLIC ACID-KRYNURENIC AC...Kynurenic acidME1942913845-4.995189.0418
4-HYDROXY-3-METHOXY-BENZENEMETHANOL (CAS# 498-00-0...4-Hydroxy-3-methoxybenzenemethanolME19429262348-3.901154.0643
4-HYDROXY-L-PROLINE (CAS# 2584-71-6); (M+H)+cis-4-HydroxyprolineME194293440015-0.749131.0581
4-HYDROXYPHENYLACETATE (CAS# 156-38-7); (M+H)+4-Hydroxyphenyl acetateME194294127-4.534152.0468
4-METHYL-2-OXOVALERIC ACID (CAS# 816-66-0); (M+NA)...KetoleucineME19429570-4.566130.0629
4-PYRIDOXATE (CAS# 82-82-6); (M+H)+[-H2O]4-Pyridoxic acidME1942966723-2.034183.0524
5ALPHA-CHOLEST-7-EN-3BETA-OL (CAS# 80-99-9); (M+H)...LathosterolME19430865728-24.586386.3548
5-AMINOLEVULINATE (CAS# 106-60-5); (M+H)+5-Amino-levulinic acidME194300137-0.749131.0581
5-AMINOPENTANOATE (CAS# 660-88-8); (M+H)+5-Aminopentanoic acidME194301138-0.724117.0797
5'-DEOXYADENOSINE (CAS# 4754-39-6); (M+H)+5'-DeoxyadenosineME194297439182-2.806251.1014
5-HYDROXYINDOLEACETATE (CAS# 54-16-0); (M+H)+5-Hydroxyindoleacetic acidME1943021826-4.276191.0596
5-HYDROXYINDOLEACETATE (CAS# 54-16-0); (M+NA)+5-Hydroxyindoleacetic acidME1943031826-4.275191.0584
5-METHYLCYTOSINE (CAS# 554-01-8); (M+H)+5-MethylcytosineME19430465040-1.005125.0599
5-METHYLTETRAHYDROFOLATE (CAS# 134-35-0); (M+H)+5-Methyl-THFME1943059825434-3.678459.1873
5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+H)+5'-MethylthioadenosineME194298439176-4.505297.0903
5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+NA)+5'-MethylthioadenosineME194299439176-4.504297.0901
5-OXOPROLINE (CAS# 4042-36-8); (M+H)+Pyroglutamic acidME1943067405-1.191129.0432
5-VALEROLACTONE (CAS# 542-28-9); (M+H)+5-ValerolactoneME19430710953-2.06100.0521
6-CARBOXYHEXANOATE (CAS# 111-16-0); (M+NA)+Pimelic acidME194309385-5.701160.075
6-HYDROXYDOPAMINE (CAS# 0); (2M+H)+[-H2O]6-HydroxydopamineME1943104624-2.007169.0751
ABRINE (CAS# 526-31-8); (M+H)+N(alpha)-Methyl-tryptophanME194311160511-3.569218.1036
ACETYLCHOLINE (CAS# 51-84-3); M+AcetylcholineME194312187-3.891146.1173
ADENINE (CAS# 73-24-5); (M+H)+AdenineME194313190-0.947135.055
ADENOSINE 5'-DIPHOSPHATE (CAS# 58-64-0); (M+H)+ADPME1943156022-1.21427.0321
ADENOSINE 5'-MONOPHOSPHATE (CAS# 61-19-8); (M+H)+AMPME1943166083-0.976347.0646
ADENOSINE (CAS# 58-61-7); (M+H)+AdenosineME19431460961-1.48267.0977
ADIPIC ACID (CAS# 124-04-9 ); (M+NA)+Adipic acidME194317196-3.553146.059
ADP-RIBOSE (CAS# ); (M+H)+ADP-riboseME19431833576-0.641559.075
ADP-RIBOSE (CAS# ); (M+H)+[-H2O]ADP-riboseME19431933576-0.996559.0763
ADP-RIBOSE (CAS# ); (M+NA)+ADP-riboseME19432033576-0.636559.077
AHBA (CAS# 76045-71-1); (M+H)+3-Amino-5-hydroxybenzoic acidME194321127115-1.455153.0414
ALANINE (CAS# 56-41-7); (M+H)+AlanineME1943225950-1.33389.0483
ALLANTOIN (CAS# 97-59-6); (M+H)+AllantoinME194323439714-0.645158.0449
ALLANTOIN (CAS# 97-59-6); (M+NA)+AllantoinME194324439714-0.726158.0443
ALLOSE (CAS# 2595-97-3); (M+NA)+[-H2O]AlloseME194325439507-1.552180.0648
ALPHA-KETO-GLUTARATE (CAS# 328-50-7); (M+H)+[-H2O]2-Oxoglutaric acidME19432651-0.851146.0216
ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+NA)+alpha-Linolenic acidME1943275280934-22.84278.223
ANDROSTERONE (CAS# 53-41-8); (M+H)+[-H2O]AndrosteroneME1943285879-19.654290.2238
ANDROSTERONE (CAS# 53-41-8); (M+NA)+AndrosteroneME1943295879-19.871290.2235
ANTHRANILATE (CAS# 118-92-3); (M+H)+2-Aminobenzoic acidME194330227-5.369137.0471
ARABINOSE (CAS# 147-81-9); (M+NA)+ArabinoseME19433166308-0.97150.0528
ASCORBATE (CAS# 50-81-7); (M+H)+[-H2O]Vitamin CME19433254670067-1.114176.0316
ASPARAGINE (CAS# 70-47-3); (M+H)+AsparagineME1943336267-0.671132.0544
ASPARAGINE (CAS# 70-47-3); (M+NA)+AsparagineME1943346267-0.677132.0536
AZELAIC ACID (CAS# 123-99-9); (M+H)+Azelaic acidME1943352266-10.729188.1035
AZELAIC ACID (CAS# 123-99-9); (M+H)+[-H2O]Azelaic acidME1943362266-10.719188.1035
AZELAIC ACID (CAS# 123-99-9); (M+NA)+Azelaic acidME1943372266-10.718188.1057
BETA-ALANINE (CAS# 107-95-9); (M+H)+beta-AlanineME194338239-0.68189.0485
BETAINE (CAS# 107-43-7); (M+H)+BetaineME194341247-0.689117.0796
BETAINE (CAS# 107-43-7); (M+NA)+BetaineME194342247-0.648117.0791
BETA-MALTOSE (CAS# 69-79-4); (2M+NA)+MaltoseME194339439186-0.689342.1134
BETA-MALTOSE (CAS# 69-79-4); (M+NA)+MaltoseME194340439186-0.693342.1167
BILIVERDIN (CAS# 114-25-0); (M+H)+BiliverdinME1943435280353-18.72582.2482
BILIVERDIN (CAS# 114-25-0); (M+NA)+BiliverdinME1943445280353-18.663582.251
BIS(2-ETHYLHEXYL)PHTHALATE (CAS# 117-81-7); (M+H)+Bis(2-ethylhexyl)phthalateME1943458343-23.115390.2791
BIS(2-ETHYLHEXYL)PHTHALATE (CAS# 117-81-7); (M+NA)...Bis(2-ethylhexyl)phthalateME1943468343-23.103390.2778
BIS-GAMMA-GLUTAMYLCYSTINE (CAS# 23052-19-9); (M+H)...Bis-gamma-glutamylcystineME19434790657696-0.956498.1042
BOC-PRO-OH (CAS# 15761-39-4); (2M+NA)+-ME19434885083-11.297215.1153
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 4...-ME19434946891735-22.949643.5057
CAFFEINE (CAS# 58-08-2); (M+H)+CaffeineME1943502519-5.908194.0802
CAFFEINE (CAS# 58-08-2); (M+NA)+CaffeineME1943512519-5.727194.0807
CALCIDIOL (CAS# 19356-17-3); (M+H)+25-Hydroxyvitamin D3ME1943525283731-22.805400.3372
CALCIDIOL (CAS# 19356-17-3); (M+NA)+25-Hydroxyvitamin D3ME1943535283731-22.686400.3312
CARNOSINE (CAS# 305-84-0); (M+H)+CarnosineME194354439224-0.592226.1068
CELLOBIOSE (CAS# 528-50-7); (M+NA)+CellobioseME194355294-0.693342.1167
CHOLATE (CAS# 81-25-4); (2M+H)+Cholic acidME194356221493-20.336408.2901
CHOLATE (CAS# 81-25-4); (2M+H)+[-H2O]Cholic acidME194357221493-20.329408.2886
CHOLATE (CAS# 81-25-4); (2M+NA)+Cholic acidME194358221493-20.331408.2877
CHOLATE (CAS# 81-25-4); (M+NA)+Cholic acidME194359221493-20.333408.288
CHOLESTEROL (CAS# 57-88-5); (M+H)+[-H2O]CholesterolME1943605997-24.587386.3548
CHOLESTEROL HYDROGEN SULFATE (CAS# 1256-86-6); M+[...Cholesterol sulfateME19436165076-23.813466.3102
CHOLINE (CAS# 62-49-7); M+CholineME194362305-0.644104.1081
CHOLINE PHOSPHATE (CAS# 107-73-3); (M+H)+Choline phosphateME1943631014-0.646183.0663
CHOLINE PHOSPHATE (CAS# 107-73-3); (M+NA)+Choline phosphateME1943641014-0.659183.0665
CIS-VACCENIC ACID (CAS# 506-17-2); (M+H)+cis-Vaccenic acidME1943655282761-22.927282.2555
CIS-ZEATIN (CAS# 1637-39-4); (M+H)+cis-ZeatinME194366688597-3.902219.1126
CITRAMALATE (CAS# 2306-22-1); (M+H)+Citramalic acidME194367441696-1.495148.0386
CITRATE (CAS# 77-92-9); (M+H)+[-H2O]Citric acidME194368311-1.289192.0251
CITRATE (CAS# 77-92-9); (M+NA)+Citric acidME194369311-0.972192.0278
CITRULLINE (CAS# 372-75-8); (M+H)+CitrullineME1943709750-0.726175.0974
CITRULLINE (CAS# 372-75-8); (M+NA)+CitrullineME1943719750-0.718175.0968
CORTICOSTERONE (CAS# 50-22-6); (M+H)+CorticosteroneME1943725753-15.388346.2111
CORTICOSTERONE (CAS# 50-22-6); (M+NA)+CorticosteroneME1943735753-15.39346.2147
CORTISOL 21-ACETATE (CAS# 50-03-3); (M+NA)+Cortisol 21-acetateME1943745744-15.426404.2162
CORTISONE (CAS# 53-06-5); (M+NA)+CortisoneME194375222786-13.381360.1949
CREATINE (CAS# 57-00-1); (M+H)+CreatineME194376586-0.699131.0699
CREATININE (CAS# 60-27-5); (M+NA)+CreatinineME194377588-0.721113.0599
CREATININE-(GUANIDINO-13C) [ISTD] (CAS# ); (2M+H)+-ME19437871309782-0.678114.0618
CREATININE-(GUANIDINO-13C) [ISTD] (CAS# ); (M+H)+-ME19437971309782-0.662114.0614
CYCLOPENTANONE (CAS# 120-92-3); (2M+K)+CyclopentanoneME1943808452-3.28184.0578
CYSTATHIONINE (CAS# 56-88-2); (M+H)+[-H2O]CystathionineME194381439258-0.663222.0656
CYSTINE (CAS# 56-89-3); (M+H)+CystineME1943826857538-0.633240.0224
CYSTINE (CAS# 56-89-3); (M+NA)+CystineME1943836857538-0.673240.0233
CYTIDINE (CAS# 65-46-3); (M+H)+CytidineME1943846175-0.747243.0849
CYTOSINE (CAS# 71-30-7); (M+H)+CytosineME194385597-0.738111.0438
CYTOSINE (CAS# 71-30-7); (M+NA)+CytosineME194386597-0.87111.0436
DAMP (CAS# 653-63-4); (M+H)+dAMPME19439612599-1.044331.0694
D-(-)-ARABINOSE (CAS# 10323-20-3); (M+NA)+ArabinoseME19438766308-0.97150.0528
DEBRISOQUIN (CAS# 581-88-4); (M+H)+DebrisoquineME1943972966-5.324175.1106
DECANOATE (CAS# 334-48-5); (2M+NA)+Capric acidME1943982969-22.788172.1459
DEHYDROASCORBATE (CAS# 490-83-5); (M+H)+[-H2O]L-Dehydroascorbic acidME194399210328-0.848174.0171
DEOXYCHOLIC ACID (CAS# 83-44-3); (M+H)+Deoxycholic acidME194400222528-21.351392.29
DEOXYCHOLIC ACID (CAS# 83-44-3); (M+NA)+Deoxycholic acidME194401222528-21.695392.289
DEOXYCYTIDINE (CAS# 951-77-9); (M+H)+DeoxycytidineME19440213711-0.82227.0898
DEOXYURIDINE (CAS# 951-78-0); (M+H)+DeoxyuridineME19440313712-1.474228.0753
DEOXYURIDINE (CAS# 951-78-0); (M+NA)+DeoxyuridineME19440413712-1.678228.0746
DEPHOSPHO-COA (CAS# 3633-59-8); (M+2H)+23'-Dephospho-CoAME194405444485-3.992687.1444
DEPHOSPHO-COA (CAS# 3633-59-8); (M+H)+3'-Dephospho-CoAME194406444485-3.978687.1471
D-GALACTOSAMINE (CAS# 7535-00-4); (M+H)+GalactosamineME1943883034366-0.703179.0792
D-GALACTOSAMINE (CAS# 7535-00-4); (M+K)+GalactosamineME1943893034366-0.6179.0786
DGDP (CAS# 653-63-4); (M+H)+dGDPME194407439220-1.055427.0307
D-GLUCOSAMINE (CAS# 3416-24-8); (M+H)+GlucosamineME194390439213-0.703179.0792
DGMP (CAS# 902-04-5); (M+H)+dGMPME1944086994968-1.251347.0646
D-LYXOSE (CAS# 1114-34-7); (M+NA)+LyxoseME19439165550-0.964150.0528
D-MANNOSAMINE (CAS# 14307-02-9); (M+H)+GalactosamineME1943923034366-0.703179.0792
D-MANNOSAMINE (CAS# 14307-02-9); (M+K)+2-Amino-2-deoxy-D-mannoseME1943933034366-0.6179.0786
D-ORNITHINE (CAS# 348-66-3); (M+H)+D-OrnithineME1943946262-0.55132.0895
D-PSICOSE (CAS# 551-68-8); (2M+NA)+[-H2O]PsicoseME19439590008-0.696180.0639
DUMP (CAS# 964-26-1); (M+K)+dUMPME19440965063-1.241308.0429
EDTA (CAS# 60-00-4); (M+H)+Edetic acidME1944106049-0.961292.0913
EDTA (CAS# 60-00-4); (M+NA)+Edetic acidME1944116049-0.962292.0913
ELAIDIC ACID (CAS# 112-79-8); (M+H)+Elaidic acidME194412637517-22.927282.2555
ELAIDIC ACID (CAS# 112-79-8); (M+NA)+Elaidic acidME194413637517-22.756282.2568
EPINEPHRINE (CAS# 51-43-4); (M+H)+[-H2O]EpinephrineME1944145816-0.721183.088
ERYTHRITOL (CAS# 149-32-6); (M+NA)+ErythritolME194415222285-0.739122.0588
ESTRONE (CAS# 53-16-7); (M+NA)+EstroneME1944165870-16.229270.161
ETHYLMALONIC ACID (CAS# 601-75-2); (2M+NA)+[-H2O]Ethylmalonic acidME19441711756-2.9132.0434
ETHYLMALONIC ACID (CAS# 601-75-2); (M+NA)+Ethylmalonic acidME19441811756-2.821132.0431
FERULATE (CAS# 1135-24-6); (M+H)+trans-Ferulic acidME194419445858-8.395194.0567
FLUCYTOSINE (CAS# 2022-85-7); (M+H)+FlucytosineME1944203366-0.728129.034
FRUCTOSE (CAS# 57-48-7); (M+NA)+FructoseME1944215984-0.753180.0645
GALACTITOL OR DULCITOL (CAS# 608-66-2); (M+H)+[-H2...GalactitolME19442211850-0.663182.0776
GALACTITOL OR DULCITOL (CAS# 608-66-2); (M+NA)+GalactitolME19442311850-0.653182.0777
GAMMA-BUTYROLACTONE (CAS# 96-48-0); (M+H)+gamma-ButyrolactoneME1944247302-2.06186.0361
GAMMA-L-GLUTAMYL-L-CYSTEINE (CAS# 686-58-8); (M+H)...gamma-GlutamylcysteineME194425123938-0.992250.0635
GAMMA-L-GLUTAMYL-L-CYSTEINE (CAS# 686-58-8); (M+H)...gamma-GlutamylcysteineME194426123938-0.992250.0619
GAMMA-LINOLENIC ACID (CAS# 506-26-3); (M+NA)+gamma-Linolenic acidME1944275280933-22.84278.223
GDPGLUCOSE (CAS# ); (M+NA)+GDP-glucoseME194428644106-1.724605.0765
GDPMANNOSE (CAS# ); (M+NA)+GDP-mannoseME19442918396-0.635605.0815
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+NA)+Gibberellin A3ME1944306466-8.493346.1422
GLUCOSAMINE 6-PHOSPHATE (CAS# 3616-42-0); (M+H)+Glucosamine 6-phosphateME194431439217-0.719259.0441
GLUCOSE (CAS# 50-99-7); (2M+NA)+GlucoseME1944325793-0.662180.0622
GLUCOSE (CAS# 50-99-7); (2M+NA)+[-H2O]GlucoseME1944335793-0.715180.0639
GLUCOSE (CAS# 50-99-7); (M+NA)+GlucoseME1944345793-0.728180.0642
GLUCURONIC ACID (CAS# 6556-12-3); (M+NA)+Glucuronic acidME19443594715-0.965194.0422
GLUTAMATE (CAS# 56-86-0); (M+H)+Glutamic acidME19443633032-0.713147.0535
GLUTAMATE (CAS# 56-86-0); (M+H)+[-H2O]Glutamic acidME19443733032-0.649147.0536
GLUTAMINE (CAS# 56-85-9); (M+NA)+GlutamineME1944385961-0.627146.069
GLUTARATE (CAS# 110-94-1); (M+NA)+Glutaric acidME194439743-2.058132.043
GLUTATHIONE (CAS# 27025-41-8); (M+H)+GlutathioneME194440124886-1.356612.153
GLUTATHIONE (CAS# 27025-41-8); (M+H2)+2GlutathioneME194441124886-1.364612.156
GLYCERALDEHYDE (CAS# 367-47-5); (2M+NA)+[-H2O]GlyceraldehydeME19444279014-1.43490.0316
GLYCINE (CAS# 56-40-6); (M+H)+GlycineME194443750-0.70175.0327
GLYCOCHENODEOXYCHOLATE (CAS# 640-79-9); (M+H)+[-H2...Glycochenodeoxycholic acidME1944449548796-20.515449.3119
GLYCOCHENODEOXYCHOLATE (CAS# 640-79-9); (M+NA)+Glycochenodeoxycholic acidME1944459548796-20.28449.3141
GLYCOCHOLATE (CAS# 475-31-0); (2M+H)+Glycocholic acidME19444610140-18.604465.3103
GLYCOCHOLATE (CAS# 475-31-0); (M+H)+Glycocholic acidME19444710140-18.872465.3083
GLYCOCHOLATE (CAS# 475-31-0); (M+H)+[-H2O]Glycocholic acidME19444810140-18.869465.3091
GLYCOCHOLATE (CAS# 475-31-0); (M+NA)+Glycocholic acidME19444910140-18.86465.3093
GLYCOLITHOCHOLATE (CAS# 474-74-8 ); (M+NA)+Glycolithocholic acidME194450115245-21.44433.3182
GUANINE (CAS# 73-40-5); (M+H)+GuanineME194451764-0.999151.0493
GUANINE (CAS# 73-40-5); (M+NA)+GuanineME194452764-0.934151.0508
GUANOSINE 5'-DIPHOSPHO-BETA-L-FUCOSE (CAS# 0); (M+...-ME194455451-1.256589.0852
GUANOSINE 5'-PHOSPHATE (CAS# 85-32-5); (2M+H)+GMPME1944566804-0.824363.0586
GUANOSINE (CAS# 118-00-3); (M+H)+GuanosineME1944536802-1.825283.0924
GUANOSINE (CAS# 118-00-3); (M+NA)+GuanosineME1944546802-1.85283.0912
HISTAMINE (CAS# 51-45-6); (M+H)+HistamineME194457774-0.541111.08
HISTAMINE (CAS# 51-45-6); (M+NA)+HistamineME194458774-0.541111.0798
HOMOCYSTEINE (CAS# 454-29-5); (M+H)+HomocysteineME19445991552-0.724135.0356
HOMOGENTISATE (CAS# 451-13-8); (M+H)+Homogentisic acidME194460780-1.967168.0414
HOMOSERINE (CAS# 672-15-1); (M+H)+HomoserineME19446112647-0.656119.0592
HOMOVANILLATE (CAS# 306-08-1); (M+H)+Homovanillic acidME1944621738-5.703182.0569
HYPOTAURINE (CAS# 300-84-5); (M+H)+HypotaurineME194463107812-0.64109.0194
HYPOXANTHINE (CAS# 68-94-0); (M+H)+HypoxanthineME194464790-1.061136.0392
HYPOXANTHINE (CAS# 68-94-0); (M+NA)+HypoxanthineME194465790-1.114136.0394
INDOLE-3-ACETALDEHYDE (CAS# 2591-98-2); (M+H)+IndoleacetaldehydeME194467800-1.808159.0669
INDOLE (CAS# 120-72-9); (2M+NA)+IndoleME194466798-6.499117.0577
INOSINE 5'-PHOSPHATE (CAS# 131-99-7); (M+NA)+IMPME1944708582-1.025348.045
INOSINE (CAS# 58-63-9); (M+H)+InosineME1944686021-1.82268.0826
INOSINE (CAS# 58-63-9); (M+NA)+InosineME1944696021-1.786268.0816
ISOLEUCINE (CAS# 73-32-5); (M+H)+IsoleucineME1944716306-1.602131.0954
ISOLEUCINE (CAS# 73-32-5); (M+NA)+IsoleucineME1944726306-1.516131.0955
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M+H)+Jasmonic acidME1944735281166-13.138210.1257
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M+NA)+Jasmonic acidME1944745281166-13.136210.126
KYNURENINE (CAS# 343-65-7); (M+H)+KynurenineME194475161166-2.21208.0844
L-[15N]ANTHRANILIC ACID [ISTD] (CAS# ); (M+H)+2-Aminobenzoic acidME194484227-5.367138.046
LACTOSE (CAS# 63-42-3); (M+K)+LactoseME194485440995-0.687342.1155
LACTOSE (CAS# 63-42-3); (M+NA)+LactoseME194486440995-0.693342.1167
L-ALLOTHREONINE (CAS# 28954-12-3); (M+H)+AllothreonineME19447699289-0.656119.0592
L-ALLOTHREONINE (CAS# 28954-12-3); (M+H)+[-H2O]AllothreonineME19447799289-0.633119.0587
LANOSTEROL (CAS# 79-63-0); (M+NA)+LanosterolME194487246983-23.466426.3881
LAUROYLCARNITINE (CAS# 25518-54-1); (M+H)+CAR 12:0ME194488168381-17.904343.2718
LAUROYLCARNITINE (CAS# 25518-54-1); (M+NA)+CAR 12:0ME194489168381-17.9343.2717
L-CARNITINE (CAS# 541-15-1); (M+H)+CarnitineME19447810917-0.667161.1059
LEUCINE (CAS# 328-39-2); (M+H)+LeucineME1944906106-1.634131.0955
LEUCINE (CAS# 328-39-2); (M+NA)+LeucineME1944916106-1.544131.0955
LEUKOTRIENE B4 (CAS# 71160-24-2); (M+H)+LTB4ME1944925280492-20.875336.2281
LEUKOTRIENE B4 (CAS# 71160-24-2); (M+H)+[-H2O]LTB4ME1944935280492-20.801336.2292
LEUKOTRIENE B4 (CAS# 71160-24-2); (M+NA)+LTB4ME1944945280492-20.733336.2298
L-HISTIDINE (CAS# 71-00-1); (M+H)+HistidineME1944796274-0.616155.0689
L-HISTIDINE (CAS# 71-00-1); (M+NA)+HistidineME1944806274-0.617155.0698
LITHOCHOLIC ACID (CAS# 434-13-9); (M+NA)+Lithocholic acidME1944959903-22.366376.2987
L-METHIONINE SULFOXIMINE (CAS# 15985-39-4); (M+H)+Methionine sulfoximineME19448189034-0.841180.0564
LOPERAMIDE (CAS# 34552-83-5); (M+H)+LoperamideME1944963955-15.249476.2263
L-ORNITHINE (CAS# 70-26-8); (M+H)+OrnithineME1944826262-0.55132.0895
L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M+H)+TryptophanME19448316217285-3.616206.0849
LUMICHROME (CAS# 1086-80-2); (M+H)+LumichromeME1944975326566-10.898242.0805
LUMICHROME (CAS# 1086-80-2); (M+NA)+LumichromeME1944985326566-10.899242.0819
LYSINE (CAS# 56-87-1); (M+H)+LysineME1944995962-0.555146.1058
LYSINE (CAS# 56-87-1); (M+NA)+LysineME1945005962-0.565146.105
MALEIMIDE (CAS# 541-59-3); (M+H)+MaleimideME19450110935-1.67297.017
MALTOSE (CAS# 69-79-4); (M+NA)+MaltoseME194502439186-0.693342.1167
MANNITOL (CAS# 69-65-8); (M+NA)+MannitolME1945036251-0.653182.0777
MELIBIOSE (CAS# 585-99-9); (M+K)+MelibioseME194504440658-0.687342.1155
MELIBIOSE (CAS# 585-99-9); (M+NA)+MelibioseME194505440658-0.693342.1167
METHIONINE (CAS# 63-68-3); (M+H)+MethionineME1945066137-0.999149.0518
METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+NA)...Methyl beta-D-galactosideME19450794214-0.783194.0784
METHYL JASMONATE (CAS# 1211-29-6); (M+NA)+Methyl jasmonateME1945085281929-16.036224.1411
METHYLMALONATE (CAS# 516-05-2); (M+NA)+Methylmalonic acidME194509487-1.314118.0273
MONO-METHYL GLUTARATE (CAS# 1501-27-5); (M+NA)+Monomethyl glutaric acidME19451073917-3.553146.0589
MYO-INOSITOL (CAS# 87-89-8); (M+NA)+Myo-inositolME194511892-0.627180.0644
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+H)+N-Acetyl-D-glucosamineME194513446101-0.739221.0903
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+H)+[-H...N-Acetyl-D-glucosamineME194514446101-0.698221.0889
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+NA)+N-Acetyl-D-glucosamineME194515446101-0.714221.0892
N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+H)+N-Acetylglutamic acidME194520185-1.31189.0636
N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+H)+...N-Acetylglutamic acidME194521185-1.313189.0636
N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+NA)...N-Acetylglutamic acidME194522185-1.314189.0644
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+H)+N-AcetylmethionineME194523448580-4.081191.0626
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+H)+[-H...N-AcetylmethionineME194524448580-4.083191.0602
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+NA)+N-AcetylmethionineME194525448580-4.08191.0622
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+H)+N-AcetylserineME19452665249-0.748147.0541
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+H)+[-H2O]N-AcetylserineME19452765249-0.759147.0535
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+NA)+N-AcetylserineME19452865249-0.783147.0542
N-ACETYL-D-MANNOSAMINE (CAS# 3615-17-6); (M+H)+N-Acetyl-mannosamineME19451653477792-0.739221.0903
N-ACETYL-D-MANNOSAMINE (CAS# 3615-17-6); (M+NA)+N-Acetyl-mannosamineME19451753477792-0.714221.0892
N-ACETYL-D-TRYPTOPHAN (CAS# 2280-01-5); (M+H)+N-Acetyl-D-tryptophanME194518439917-7.925246.0992
N-ACETYL-D-TRYPTOPHAN (CAS# 2280-01-5); (M+NA)+N-Acetyl-D-tryptophanME194519439917-7.938246.102
N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+H)+N-Acetyl-D-galactosamineME19453635717-0.741221.0881
N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+H)+[-H2...N-Acetyl-D-galactosamineME19453735717-0.698221.0889
N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+NA)+N-Acetyl-D-galactosamineME19453835717-0.714221.0892
N-ACETYLGLYCINE (CAS# 543-24-8); (M+NA)+N-AcetylglycineME1945391097-0.949117.0433
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M+NA)+N-AcetylalanineME19452988064-1.451131.0588
N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M+H)+[-...N-Acetylaspartic acidME19453065065-0.832175.048
N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M+NA)+N-Acetylaspartic acidME19453165065-0.992175.0492
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M+H)+N-AcetylleucineME19453275619-7.172173.1048
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M+NA)+N-AcetylleucineME19453375619-7.171173.1056
N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M+H)+N-AcetylphenylalanineME19453474839-7.718207.0895
N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M+NA)+N-AcetylphenylalanineME19453574839-7.72207.0903
N-ACETYLNEURAMINATE (CAS# 131-48-6); (M+H)+N-Acetylneuraminic acidME194540439197-0.698309.1079
N-ACETYLNEURAMINATE (CAS# 131-48-6); (M+NA)+N-Acetylneuraminic acidME194541439197-0.745309.1035
NAD (CAS# 53-84-9); (M+2H)+2NAD+ME1945545893-1.026663.1066
NAD (CAS# 53-84-9); (M+H)+NAD+ME1945555893-1.025663.109
NAD (CAS# 53-84-9); (M+NA)+NAD+ME1945565893-1.02663.1128
N-ALPHA-ACETYL-L-ASPARAGINE (CAS# 4033-40-3); (M+N...N-AcetylasparagineME19454299715-0.82174.0651
N-ALPHA-ACETYL-L-LYSINE (CAS# 1946-82-3); (M+H)+N(2)-AcetyllysineME19454392907-0.927188.1148
N-CYCLOHEXYLFORMAMIDE (CAS# 766-93-8); (M+H)+N-CyclohexylformamideME19454413017-7.936127.0988
N-CYCLOHEXYLFORMAMIDE (CAS# 766-93-8); (M+NA)+N-CyclohexylformamideME19454513017-7.935127.0989
NICOTINAMIDE (CAS# 98-92-0); (M+H)+NiacinamideME194557936-1.125122.0488
NICOTINAMIDE MONONUCLEOTIDE (CAS# 1094-61-7); (M+H...Nicotinamide ribotideME19455814180-0.724334.0592
NICOTINATE (CAS# 59-67-6); (M+H)+Nicotinic acidME194559938-1.026123.0331
N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M+H)+N-Methyl-D-aspartic acidME1945464376-0.724147.0535
N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M+NA)+N-Methyl-D-aspartic acidME1945474376-0.725147.0542
N-METHYL-L-GLUTAMATE (CAS# 6753-62-4); (M+H)+[-H2O...N-Methyl-glutamic acidME194548439377-2.007161.0683
N-METHYL-L-GLUTAMATE (CAS# 6753-62-4); (M+NA)+[-H2...N-Methyl-glutamic acidME194549439377-1.948161.0696
N-METHYLNICOTINATE (CAS# 535-83-1); (M+H)+TrigonellineME1945505570-0.704137.0472
N-NITROSODIETHANOLAMINE (CAS# 1116-54-7); (M+NA)+N-NitrosodiethanolamineME19455114223-0.761134.0691
N-OLEOYLGLYCINE (CAS# 2601-90-3); (M+H)+N-Oleoyl glycineME1945526436908-22.646339.2773
N-OLEOYLGLYCINE (CAS# 2601-90-3); (M+NA)+N-Oleoyl glycineME1945536436908-22.561339.2749
NONANOATE (CAS# 112-05-0); (M+NA)+Pelargonic acidME1945608158-13.183158.132
NORLEUCINE (CAS# 327-57-1); (M+H)+NorleucineME19456121236-1.713131.0949
NORMETANEPHRINE (CAS# 0); (M+H)+[-H2O]NormetanephrineME194562688100-2.52183.0897
NORVALINE (CAS# 6600-40-4); M+[-CO2H]NorvalineME19456465098-0.872117.0801
NORVALINE (CAS# 6600-40-4); (M+H)+NorvalineME19456365098-0.795117.0797
N(PAI)-METHYL-L-HISTIDINE (CAS# 332-80-9); (M+H)+3-MethylhistidineME19451264969-0.624169.0842
O-ACETYLCARNITINE (CAS# 461-77-8); (M+H)+CAR 2:0ME19456518230-0.962203.1173
OCTACOSANOIC ACID (CAS# 506-48-9); (M+H)+Montanic acidME19456810470-23.483424.4301
OLEAMIDE (CAS# 301-02-0); (M+H)+OleamideME1945695283387-22.69281.2697
OLEIC ACID (CAS# 112-80-1); (M+H)+Oleic acidME194570445639-22.525282.256
OLEIC ACID (CAS# 112-80-1); (M+NA)+Oleic acidME194571445639-22.552282.2562
OMEGA-HYDROXYDODECANOIC ACID (CAS# 505-95-3); (M+H...12-Hydroxy lauric acidME19457279034-17.014216.1713
OMEGA-HYDROXYDODECANOIC ACID (CAS# 505-95-3); (M+N...12-Hydroxy lauric acidME19457379034-17.256216.1727
O-PHOSPHO-DL-SERINE (CAS# 17885-08-4); (2M+H)+DL-O-PhosphoserineME194566106-0.919185.0072
OPHTHALMIC ACID (CAS# 495-27-2); (M+H)+Ophthalmic acidME1945747018721-1.228289.128
OROTATE (CAS# 65-86-1); (M+H)+Orotic acidME194575967-0.972156.0159
O-SUCCINYL-L-HOMOSERINE (CAS# 1492-23-5); (M+H)+o-SuccinylhomoserineME194567439406-0.666219.0726
OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M+2H)+2Oxidized glutathioneME19457665359-1.364612.156
OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M+H)+Oxidized glutathioneME19457765359-1.356612.153
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (CAS# 120595-...p-AcetamidophenylglucuronideME19457883944-1.967327.0922
PALATINOSE (CAS# 343336-76-5); (M+NA)+PalatinoseME194579439559-0.693342.1167
PALMITOYLCARNITINE (CAS# 2364-67-2); (M+H)+CAR 16:0ME19458011953816-21.265399.3327
PALMITOYLCARNITINE (CAS# 2364-67-2); (M+NA)+CAR 16:0ME19458111953816-21.268399.335
PANTOTHENATE (CAS# 79-83-4); (M+H)+Pantothenic acidME1945826613-3.278219.1109
PANTOTHENATE (CAS# 79-83-4); (M+NA)+Pantothenic acidME1945836613-3.278219.111
PARAXANTHINE (CAS# 611-59-6); (M+NA)+ParaxanthineME1945844687-4.398180.0639
PENICILLAMINE (CAS# 52-67-5); (2M+H)+[-H2]PenicillamineME1945855852-1.007149.0512
PHENYL ACETATE (CAS# 122-79-2); (M+H)+Phenyl acetateME194586999-3.903136.0533
PHENYLACETIC ACID (CAS# 103-82-2); (M+H)+Phenylacetic acidME194587999-3.901136.0533
PHENYLALANINE (CAS# 63-91-2); (M+H)+PhenylalanineME1945886140-2.52165.0792
PHENYLALANINE (CAS# 63-91-2); (M+NA)+PhenylalanineME1945896140-2.519165.0792
PHENYLEPHRINE (CAS# 59-42-7); (M+H)+[-H2O]PhenylephrineME1945906041-1.514167.0941
PHENYLETHANOLAMINE (CAS# 7568-93-6); (M+H)+2-HydroxyphenethylamineME1945911000-1.53137.0835
PHENYLPYRUVATE (CAS# 156-06-9); (M+NA)+Phenylpyruvic acidME194592997-5.152164.0485
PHTHALATE (CAS# 88-99-3); (M+NA)+Phthalic acidME1945931017-4.868166.0258
PICOLINIC ACID (CAS# 98-98-6); (M+H)+Picolinic acidME1945941018-1.026123.0331
PINITOL (CAS# 10284-63-6); (M+NA)+PinitolME194595164619-0.675194.0789
PIPECOLATE (CAS# 535-75-1); (M+H)+Pipecolic acidME194596849-0.675129.079
PIPECOLATE (CAS# 535-75-1); (M+NA)+Pipecolic acidME194597849-0.841129.0787
PORPHOBILINOGEN (CAS# 487-90-1); (M+H)+PorphobilinogenME1945981021-2.146226.0935
PORPHOBILINOGEN (CAS# 487-90-1); (M+NA)+PorphobilinogenME1945991021-2.088226.0954
PREGNENOLONE (CAS# 145-13-1); (M+NA)+PregnenoloneME1946008955-20.062316.2373
PROCOLLAGEN 5-HYDROXY-L-LYSINE (CAS# 1190-94-9); (...-ME19460183228-0.726162.1002
PROCOLLAGEN 5-HYDROXY-L-LYSINE (CAS# 1190-94-9); (...-ME19460283228-0.725162.1001
PROGESTERONE (CAS# 57-83-0); (M+H)+ProgesteroneME1946035994-19.815314.2221
PROGESTERONE (CAS# 57-83-0); (M+NA)+ProgesteroneME1946045994-19.535314.2268
PROLINE (CAS# 147-85-3); (M+H)+ProlineME194605145742-0.695115.0639
PROLINE (CAS# 147-85-3); (M+NA)+ProlineME194606145742-0.704115.0644
PROSTAGLANDIN E2 (CAS# 363-24-6); (M+H)+PGE2ME1946075280360-16.757352.2225
PROSTAGLANDIN E2 (CAS# 363-24-6); (M+H)+[-H2O]PGE2ME1946085280360-16.915352.2228
PROSTAGLANDIN E2 (CAS# 363-24-6); (M+NA)+PGE2ME1946095280360-16.856352.2243
PROTOPORPHYRIN (CAS# 553-12-8); (M+H)+ProtoporphyrinME1946104971-22.927562.255
PTERIN (CAS# 2236-60-4); (M+H)+PterinME19461173000-1.716163.0478
PURINE (CAS# 120-73-0); (M+NA)+PurineME1946121044-1.472120.0442
PYRIDOXAL (CAS# 66-72-8); (M+H)+[-H2O]PyridoxalME1946131050-2.062167.0588
PYRIDOXAL PHOSPHATE (CAS# 853645-22-4); (2M+H)+Pyridoxal 5'-phosphateME1946141051-1.06247.0262
PYRIDOXAL PHOSPHATE (CAS# 853645-22-4); (M+H)+Pyridoxal 5'-phosphateME1946151051-1.27247.0227
QUINATE (CAS# 77-95-2); (M+H)+Quinic acidME1946166508-1.01192.0619
QUINOLIN-2-OL (CAS# 59-31-4); (M+NA)+2-HydroxyquinolineME1946176038-7.675145.0538
RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+H)+...MG 14:0ME19461879050-22.166302.2449
RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+NA)...MG 14:0ME19461979050-22.092302.244
RAFFINOSE (CAS# 512-69-6); (M+K)+RaffinoseME194620439242-0.721504.1671
RAFFINOSE (CAS# 512-69-6); (M+NA)+RaffinoseME194621439242-0.736504.1688
RIBITOL (CAS# 488-81-3); (M+H)+RibitolME19462294154-0.685152.0694
RIBITOL (CAS# 488-81-3); (M+NA)+RibitolME19462394154-0.876152.0694
RIBOFLAVIN (CAS# 83-88-5); (M+H)+RiboflavinME194624493570-7.602376.1393
RIBOFLAVIN (CAS# 83-88-5); (M+NA)+RiboflavinME194625493570-7.602376.1418
RIBOSE (CAS# 50-69-1); (M+K)+RiboseME1946265779-0.724150.0539
RIBOSE (CAS# 50-69-1); (M+NA)+RiboseME1946275779-0.97150.052
(S)-2-AMINO-3-(3-HYDOXY-4-OXO-4H-PYRIDIN-1-YL)PROP...MimosineME194239440473-0.858198.0659
S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M+H)+S-AdenosylhomocysteineME194628439155-1.376384.1214
S-ADENOSYLMETHIONINE (CAS# 29908-03-0); (M+H)+S-AdenosylmethionineME19462934755-0.634398.1353
(-)-SALSOLINOL (CAS# 27740-96-1); (M+H)+SalsolinolME1942387157331-1.289179.0937
SARCOSINE (CAS# 107-97-1); (M+H)+SarcosineME1946311088-0.68189.0485
(S)-DIHYDROOROTATE (CAS# 5988-19-2); (M+H)+4,5-Dihydroorotic acidME1942401149667-0.707158.0315
SEBACIC ACID (CAS# 111-20-6); (M+NA)+Sebacic acidME1946325192-12.862202.1191
SERINE (CAS# 56-45-1); (M+H)+SerineME194633617-0.995105.0425
S-HEXYL-GLUTATHIONE (CAS# 24425-56-7); (M+H)+S-Hexyl-glutathioneME19463097536-11.646391.1778
SHIKIMATE (CAS# 138-59-0); (M+H)+[-H2O]Shikimic acidME1946348742-0.833174.0526
SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+...sn-Glycero-3-phosphocholineME194635439285-0.651257.1031
SPERMIDINE (CAS# 124-20-9); (M+H)+SpermidineME1946361102-0.554145.1576
SPHINGANINE (CAS# 764-22-7); (M+H)+SphinganineME194637644260-20.809301.2953
SPHINGANINE (CAS# 764-22-7); (M+NA)+SphinganineME194638644260-20.879301.2969
SPHINGOSINE (CAS# 123-78-4); (M+H)+SphingosineME1946395280335-20.457299.2821
SPHINGOSINE (CAS# 123-78-4); (M+H)+[-H2O]SphingosineME1946405280335-20.452299.2799
SPHINGOSINE (CAS# 123-78-4); (M+NA)+SphingosineME1946415280335-20.458299.2827
STACHYOSE (CAS# 54261-98-2); (M+K)+StachyoseME194642439531-0.73666.2204
STACHYOSE (CAS# 54261-98-2); (M+NA)+StachyoseME194643439531-0.741666.2196
SUBERIC ACID (CAS# 505-48-6); (M+NA)+Suberic acidME19464410457-8.24174.0903
SUCROSE (CAS# 57-50-1); (M+NA)+SucroseME1946455988-0.7342.1171
TAURINE (CAS# 107-35-7); (M+K)+TaurineME1946461123-0.625125.0151
TAURINE (CAS# 107-35-7); (M+NA)+TaurineME1946471123-0.625125.0158
TAUROCHENODEOXYCHOLATE (CAS# 516-35-8); (M+H)+Taurochenodeoxycholic acidME194648387316-20.298499.2977
TAUROCHENODEOXYCHOLATE (CAS# 516-35-8); (M+NA)+Taurochenodeoxycholic acidME194649387316-20.304499.2962
TAUROCHOLATE (CAS# 81-24-3); (M+H)+[-H2O]Taurocholic acidME1946506675-18.419515.2926
TAUROCHOLATE (CAS# 81-24-3); (M+NA)+Taurocholic acidME1946516675-18.378515.2929
TAUROLITHOCHOLATE (CAS# 516-90-5); (M+H)+Taurolithocholic acidME194652439763-21.994483.3026
TAUROLITHOCHOLATE (CAS# 516-90-5); (M+NA)+Taurolithocholic acidME194653439763-21.67483.3005
THEOBROMINE (CAS# 83-67-0); (M+NA)+TheobromineME1946545429-3.406180.0636
THEOPHYLLINE (CAS# 58-55-9); (M+NA)+TheophyllineME1946552153-4.299180.0639
THIAMIN (CAS# 59-43-8); M+ThiamineME1946561130-0.678265.1122
THIAMIN (CAS# 59-43-8); M+[-C6H9NOS]ThiamineME1946571130-0.657265.1122
THIAMIN MONOPHOSPHATE (CAS# 532-40-1); (M+H)+Thiamine monophosphateME1946583382778-0.657344.0686
THREONINE (CAS# 72-19-5); (M+H)+[-H2O]ThreonineME1946596288-0.905119.058
THROMBOXANE B2 (CAS# 54397-85-2); (M+H)+[-H2O]TXB2ME1946605283137-16.757370.2332
THROMBOXANE B2 (CAS# 54397-85-2); (M+NA)+TXB2ME1946615283137-16.556370.232
THYMIDINE 5'-MONOPHOSPHATE (CAS# 365-07-1); (2M+H)...TMPME19466312803287-1.345322.0558
THYMIDINE (CAS# 50-89-5); (M+NA)+ThymidineME1946625789-2.755242.0922
THYMINE (CAS# 65-71-4); (M+H)+ThymineME1946641135-1.531126.0438
THYROTROPIN RELEASING HORMONE (CAS# 24305-27-9); (...Thyrotropin releasing hormoneME194665638678-1.531362.171
TRANS-4-HYDROXYPROLINE (CAS# 51-35-4); (M+H)+trans-4-HydroxyprolineME1946665810-0.749131.0581
TRANS-ACONITATE (CAS# 4023-65-8); (M+NA)+trans-Aconitic acidME194667444212-1.263174.0163
TRICARBALLYLIC ACID (CAS# 99-14-9); (M+H)+[-H2O]1,2,3-Propanetricarboxylic acidME19466814925-1.114176.0316
TRICARBALLYLIC ACID (CAS# 99-14-9); (M+NA)+1,2,3-Propanetricarboxylic acidME19466914925-1.02176.0329
TRIMETHYLAMINE (CAS# 75-50-3); (M+H)+TrimethylamineME1946701146-0.78159.0739
TRYPTOPHAN (CAS# 73-22-3); (M+H)+TryptophanME1946716305-3.617204.0903
TRYPTOPHAN (CAS# 73-22-3); (M+NA)+TryptophanME1946726305-3.616204.0887
TYRAMINE (CAS# 51-67-2); (M+H)+TyramineME1946735610-1.482137.0835
TYROSINE (CAS# 60-18-4); (M+H)+TyrosineME1946746057-1.329181.0746
TYROSINE (CAS# 60-18-4); (M+NA)+TyrosineME1946756057-1.328181.0735
UDP-N-ACETYL-D-GLUCOSAMINE (CAS# 528-04-1); (M+H)+UDP-N-acetylglucosamineME194676445675-1.473607.0833
UDP-N-ACETYL-D-GLUCOSAMINE (CAS# 528-04-1); (M+NA)...UDP-N-acetylglucosamineME194677445675-1.567607.0834
URACIL 5-CARBOXYLATE (CAS# 23945-44-0); (M+H)+Uracil-5-carboxylic acidME1946796971263-0.972156.0159
URACIL (CAS# 66-22-8); (M+H)+UracilME1946781174-0.961112.0278
URATE (CAS# 69-93-2); (M+H)+Uric acidME1946801175-1.015168.0292
URIDINE-5-MONOPHOSPHATE (CAS# 58-97-9); (2M+H)+UMPME1946836030-1.008324.0373
URIDINE-5-MONOPHOSPHATE (CAS# 58-97-9); (2M+NA)+UMPME1946846030-0.724324.0382
URIDINE-5-MONOPHOSPHATE (CAS# 58-97-9); (M+H)+UMPME1946856030-0.87324.0362
URIDINE (CAS# 58-96-8); (M+H)+UridineME1946816029-1.364244.0702
URIDINE (CAS# 58-96-8); (M+NA)+UridineME1946826029-1.353244.0708
UROCANATE (CAS# 104-98-3); (M+NA)+Urocanic acidME194686736715-1.142138.0417
URSODIOL (CAS# 128-13-2); (M+NA)+Ursodeoxycholic acidME19468731401-21.654392.289
VALINE (CAS# 72-18-4); (M+H)+ValineME1946886287-0.795117.0797
VALINE (CAS# 72-18-4); (M+NA)+ValineME1946896287-0.85117.0796
XANTHINE (CAS# 69-89-6); (M+H)+XanthineME1946901188-1.283152.0342
XANTHOSINE (CAS# 146-80-5); (M+H)+XanthosineME19469164959-2.287284.0763
XANTHOSINE (CAS# 146-80-5); (M+NA)+XanthosineME19469264959-2.291284.0771
XANTHURENIC ACID (CAS# 59-00-7); (M+H)+Xanthurenic acidME1946935699-4.632205.0367
ZEATIN [ISTD] (CAS# 13114-27-7); (M+H)+trans-ZeatinME194694449093-3.902219.1125


  logo