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Analysis: Reversed phase NEGATIVE ION MODE (View original submitter results)

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-H)-10-Hydroxydecanoic acidME1929296991989-13.628188.141
11-DEOXYCORTISOL (CAS# 152-58-9); (M+HCOO)-11-DeoxycortisolME192930440707-15.459346.2113
16:0-18:0 PC (CAS# 59403-51-9); (M+CL)-PC 16:0_18:0ME19293318631368-25.648761.5926
16:0-18:0 PC (CAS# 59403-51-9); (M+HCOO)-PC 16:0_18:0ME19293418631368-25.629761.5945
16:0 LYSO PC (CAS# 17364-16-8); (M+CL)-LPC 16:0ME192931460602-22.246495.3311
16:0 LYSO PC (CAS# 17364-16-8); (M+HCOO)-LPC 16:0ME192932460602-22.232495.3334
18:0 LYSO-PE (CAS# 69747-55-3); (M-H)-LPE 18:0ME1929359547068-22.646481.3195
1-AMINOCYCLOPROPANE-1-CARBOXYLATE (CAS# 22059-21-8...1-Aminocyclopropanecarboxylic acidME1929245460234-0.829101.048
1-METHYLADENOSINE (CAS# 15763-06-1); (M+CL)-1-MethyladenosineME19292527476-3.318281.1116
1-METHYLADENOSINE (CAS# 15763-06-1); (M+HCOO)-1-MethyladenosineME19292627476-3.154281.114
1-METHYLURIC ACID (CAS# 708-79-2); (M-H)-1-Methyluric acidME19292769726-2.239182.0427
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+HCOO)-MG 18:1ME1929285283468-22.656356.2921
20:0 LYSO PC (CAS# 108341-80-6); (M+CL)-LPC 20:0ME19294824779473-22.717551.3951
20:0 LYSO PC (CAS# 108341-80-6); (M+HCOO)-LPC 20:0ME19294924779473-22.947551.3951
24:0 SM (D18:1/24:0) (CAS# 60037-60-7); (M+HCOO)-SM 18:1;O2/24:0ME19295044260127-28.013814.6932
(2-AMINOETHYL)PHOSPHONATE (CAS# 2041-14-7); (M-H)-CiliatineME192920339-0.817125.0245
2'-DEOXYCYTIDINE 5'-MONOPHOSPHATE (CAS# 1032-65-1)...dCMPME19293613945-0.618307.0565
2'-DEOXYCYTIDINE 5'-MONOPHOSPHATE (CAS# 1032-65-1)...dCMPME19293713945-1.11307.0577
2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+CL)-2-Deoxy-glucoseME192940439268-0.724164.0683
2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+HCOO)-2-Deoxy-glucoseME192941439268-0.737164.068
2'-DEOXYGUANOSINE (CAS# 961-07-9); (M+CL)-DeoxyguanosineME192938187790-1.779267.0988
2'-DEOXYINOSINE (CAS# 890-38-0); (M-H)-DeoxyinosineME19293965058-2.131252.0854
2-HYDROXY-3-METHYLBUTYRIC ACID (CAS# 4026-18-0); (...2-Hydroxy-3-methylbutyric acidME192942853180-3.559118.0627
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (CAS# 583-91-...2-Hydroxy-4-(methylthio)butanoic acidME19294311427-3.427150.0358
2-HYDROXYBUTYRATE (CAS# ); (M-H)-2-Hydroxybutyric acidME19294411266-1.815104.0475
2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M-H)-2-Methylglutaric acidME19294512046-3.676146.0582
2-METHYLMALEATE (CAS# 498-23-7); (M-H)-Citraconic acidME192946643798-1.972130.027
2-OXOADIPATE (CAS# 3184-35-8); (M-H)-Oxoadipic acidME19294771-1.264160.0368
3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (2M-H...Hydroxyphenyllactic acidME1929529378-3.566182.057
3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M-H)...Hydroxyphenyllactic acidME1929539378-3.864182.0574
3-AMINO-4-HYDROXYBENZOIC ACID (CAS# 1571-72-8); (M...3-Amino-4-hydroxybenzoic acidME19295465083-1.42153.043
3BETA-HYDROXY-5ALPHA-PREGNAN-20-ONE (CAS# 516-55-2...3beta-Hydroxy-5alpha-pregnan-20-oneME19296792787-21.115318.2587
3BETA-HYDROXYANDROST-5-EN-17-ONE 3-SULFATE (CAS# )...Dehydroepiandrosterone sulfateME19296812594-15.653368.1659
3'-CMP (CAS# 63-37-6); (M-H)-3'-CMPME19295166535-0.953323.0518
3-DEHYDROSHIKIMATE (CAS# 2922-42-1); (M-H)-3-Dehydroshikimic acidME192955439774-0.943172.0369
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M-H)...3-Hydroxymethylglutaric acidME1929561662-1.589162.0518
3-HYDROXYBENZOATE (CAS# 99-06-9); (M-H)-3-Hydroxybenzoic acidME1929577420-5.097138.0308
3-HYDROXYPHENYLACETATE (CAS# 621-37-4); (M-H)-3-Hydroxyphenylacetic acidME19295812122-8.022152.0467
3-HYDROXYPYRUVIC ACID (CAS# 1113-60-6); (M-H)-Hydroxypyruvic acidME192960964-0.979104.0106
3-HYDROXYPYRUVIC ACID (CAS# 1113-60-6); (M+HCOO)-Hydroxypyruvic acidME192959964-0.738104.0102
3-METHOXYTYROSINE (CAS# 4214-13-5); (M-H)-3-MethoxytyrosineME1929619307-1.791211.0856
3-METHYLADIPIC ACID (CAS# 3058-01-3); (M-H)-3-Methyladipic acidME19296212292-5.752160.0728
3-NITRO-L-TYROSINE (CAS# 621-44-3); (M-H)-NitrotyrosineME19296365124-2.529226.0581
3-OXALOMALATE (CAS# 89304-26-7); (M-H)-[-H2O]3-Oxalomalic acidME192964439620-0.828206.008
3-PHOSPHOGLYCERATE (CAS# ); (M-H)-3-Phosphoglyceric acidME192965439183-0.836185.9931
3-UREIDOPROPIONIC ACID (CAS# 462-88-4); (M-H)-Ureidopropionic acidME192966111-1.036132.0531
4-ACETAMIDOBUTANOATE (CAS# 3025-96-5); (M-H)-4-Acetamidobutanoic acidME19296918189-1.811145.0729
4-ACETAMINOPHEN SULFATE (CAS# 32113-41-0); (M-H)-Paracetamol sulfateME19297083939-2.505231.0212
4-COUMARATE (CAS# 501-98-4); (M-H)-cis-p-Coumaric acidME192971637542-6.986164.0471
4-HYDROXY-2-QUINOLINECARBOXYLIC ACID-KRYNURENIC AC...Kynurenic acidME1929723845-4.968189.0439
4-HYDROXYBENZOATE (CAS# 99-96-7); (M-H)-4-Hydroxybenzoic acidME192973135-4.139138.0312
4-HYDROXYPHENYLACETATE (CAS# 156-38-7); (M-H)-4-Hydroxyphenyl acetateME192974127-4.988152.0459
4-METHYL-2-OXOPENTANOATE (CAS# 816-66-0); (M-H)-KetoleucineME19297570-4.834130.0629
4-METHYL-2-OXOVALERIC ACID (CAS# 816-66-0); (M-H)-KetoleucineME19297670-4.817130.0629
4-NITROBENZOIC ACID (CAS# 62-23-7); (M-H)-4-Nitrobenzoic acidME192977101532566-8.553167.0219
4-NITROPHENOL (CAS# 100-02-7); (M-H)-4-NitrophenolME192978980-7.121139.0271
4-PYRIDOXATE (CAS# 82-82-6); (M-H)-4-Pyridoxic acidME1929796723-1.926183.0527
4-QUINOLINECARBOXYLIC ACID (CAS# 486-74-8); (M-H)-4-Quinolinecarboxylic acidME19298010243-5.01173.0468
5-AMINOPENTANOATE (CAS# 660-88-8); (M-H)-5-Aminopentanoic acidME192984138-0.811117.0781
5'-DEOXYADENOSINE (CAS# 4754-39-6); (M+HCOO)-5'-DeoxyadenosineME192981439182-2.728251.1005
5'-DEOXYADENOSINE (CAS# 4754-39-6); (M-H)-[-H2O]5'-DeoxyadenosineME192982439182-2.401251.102
5-HYDROXYINDOLEACETATE (CAS# 54-16-0); (M-H)-5-Hydroxyindoleacetic acidME1929851826-4.142191.0601
5-HYDROXYTRYPTOPHAN (CAS# 4350-09-8); (M-H)-5-Hydroxy-tryptophanME192986439280-1.857220.0828
5-METHYLTETRAHYDROFOLATE (CAS# 134-35-0); (M-H)-5-Methyl-THFME1929879825434-3.692459.1909
5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+CL)-5'-MethylthioadenosineME192983439176-4.351297.0905
5-OXOPROLINE (CAS# 4042-36-8); (M-H)-Pyroglutamic acidME1929887405-1.215129.0425
6-CARBOXYHEXANOATE (CAS# 111-16-0); (M-H)-Pimelic acidME192989385-5.756160.0728
6-HYDROXYNICOTINATE (CAS# 5006-66-6); (M-H)-6-Hydroxynicotinic acidME19299072924-1.906139.0268
ACETAMINOPHEN (TN TYLENOL) (CAS# 103-90-2); (M-H)-AcetaminophenME1929911983-3.012151.0619
ACETOACETATE (CAS# 541-50-4); (M-H)-Acetoacetic acidME19299296-2.796102.0318
ACETOACETYL-COA (CAS# 1420-36-6); (M-H)-Acetoacetyl-CoAME19299392153-21.448851.1309
ADENINE (CAS# 73-24-5); (M-H)-AdenineME192994190-0.904135.0536
ADENOSINE 5'-MONOPHOSPHATE (CAS# 61-19-8); (2M-H)+AMPME1929976083-1.037347.0648
ADENOSINE 5'-MONOPHOSPHATE (CAS# 61-19-8); (M-H)-AMPME1929986083-1.156347.0632
ADENOSINE 5'-PHOSPHOSULFATE (CAS# 485-84-7); (M-H)...Adenosine phosphosulfateME19299910238-0.626427.0177
ADENOSINE (CAS# 58-61-7); (M+CL)-AdenosineME19299560961-1.765267.0977
ADENOSINE (CAS# 58-61-7); (M+HCOO)-AdenosineME19299660961-1.792267.0969
ADPGLUCOSE (CAS# ); (M-H)-ADP-glucoseME19300116500-0.95589.0862
ADP-RIBOSE (CAS# ); (M-H)-ADP-riboseME19300033576-0.961559.0741
AHBA (CAS# 76045-71-1); (M-H)-3-Amino-5-hydroxybenzoic acidME193002127115-1.42153.043
ALDOSTERONE (CAS# 52-39-1); (M-H)-AldosteroneME1930035839-12.79360.1924
ALLANTOIN (CAS# 97-59-6); (M-H)-AllantoinME193004439714-0.67158.0437
ALLOSE (CAS# 2595-97-3); (M-H)+[-H2O]AlloseME193005439507-1.606180.0635
ALPHA-D-GALACTOSE 1-PHOSPHATE (CAS# 2255-14-3); (M...Galactose 1-phosphateME193006123912-0.725260.0295
ALPHA-HYDROXYISOBUTYRIC ACID (CAS# 594-61-6); (M-H...2-Hydroxyisobutyric acidME193007440873-1.814104.0475
ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+HCOO)-alpha-Linolenic acidME1930085280934-22.902278.2226
ARABITOL (CAS# 7643-75-6); (M+CL)-ArabitolME19300994154-0.737152.0692
ARABITOL (CAS# 7643-75-6); (M+HCOO)-ArabitolME19301094154-0.71152.067
ARACHIDIC ACID (CAS# 506-30-9); (M-H)-Arachidic acidME19301110467-23.478312.3032
ARACHIDONATE (CAS# 506-32-1); (M-H)-Arachidonic acidME193012444899-22.763304.241
ASPARAGINE (CAS# 70-47-3); (M-H)-AsparagineME1930136267-0.879132.0527
ASPARTATE (CAS# 56-84-8); (M-H)-Aspartic acidME1930145960-0.655133.0371
AZELAIC ACID (CAS# 123-99-9); (M-H)-Azelaic acidME1930152266-10.8188.1049
BEHENIC ACID (CAS# 112-85-6); (M-H)-Behenic acidME1930168215-24.142340.3326
BENZALDEHYDE (CAS# 100-52-7); (M+HCOO)-BenzaldehydeME193017240-4.984106.042
BETA-ALANINE (CAS# 107-95-9); (M-H)-beta-AlanineME193018239-0.64189.0471
BETA-MALTOSE (CAS# 69-79-4); (2M+CL)-[-H2O]MaltoseME193019439186-0.766342.1134
BETA-MALTOSE (CAS# 69-79-4); (2M-H)-[-H2O]MaltoseME193020439186-0.584342.1132
BETA-MALTOSE (CAS# 69-79-4); (M+CL)-MaltoseME193021439186-0.706342.1132
BETA-MALTOSE (CAS# 69-79-4); (M+HCOO)-MaltoseME193022439186-0.737342.113
BIOTIN (CAS# 58-85-5); (M-H)-BiotinME19302311966127-6.321244.0882
BIS-GAMMA-GLUTAMYLCYSTINE (CAS# 23052-19-9); (M-H)...Bis-gamma-glutamylcystineME19302490657696-0.879498.1087
BOC-ALA-OH (CAS# 15761-38-3); (M-H)--ME19302585082-9.478189.0999
BOC-ASN (CAS# 7536-55-2); (M-H)--ME19302682035-5.4232.1037
BOC-PRO-OH (CAS# 15761-39-4); (M-H)--ME19302785083-11.906215.1151
BOC-SER-OH (CAS# 3262-72-4); (M-H)--ME19302898766-7.02205.0941
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 4...-ME19302946891735-23.318643.5039
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 4...-ME19303046891735-23.061643.5031
CAPRYLIC ACID (CAS# 124-07-2); (M-H)-Caprylic acidME193031379-10.176144.1158
CARNOSINE (CAS# 305-84-0); (M-H)-CarnosineME193032439224-0.6226.1052
CATECHOL (CAS# 120-80-9); (M-H)-PyrocatecholME193033289-2.594110.0369
CELLOBIOSE (CAS# 528-50-7); (M+CL)-CellobioseME193034294-0.706342.1132
CHOLATE (CAS# 81-25-4); (M-H)-Cholic acidME193035221493-20.412408.2839
CHOLESTEROL HYDROGEN SULFATE (CAS# 1256-86-6); (M-...Cholesterol sulfateME19303665076-23.89466.311
CHOLINE PHOSPHATE (CAS# 107-73-3); (M+HCOO)-Choline phosphateME1930371014-0.779183.0666
CIS-11-EICOSENOIC ACID (CAS# 5561-99-9); (M-H)-cis-Gondoic acidME1930385282768-23.325310.2873
CIS-ACONITATE (CAS# 585-84-2); (M-H)-cis-Aconitic acidME193039643757-1.351174.0164
CIS-VACCENIC ACID (CAS# 506-17-2); (M-H)-cis-Vaccenic acidME1930405282761-22.98282.2565
CIS-ZEATIN (CAS# 1637-39-4); (M+CL)-cis-ZeatinME193041688597-3.93219.1123
CIS-ZEATIN (CAS# 1637-39-4); (M-H)-cis-ZeatinME193042688597-3.93219.1122
CITRAMALATE (CAS# 2306-22-1); (M-H)-Citramalic acidME193043441696-1.438148.0369
CITRATE (CAS# 77-92-9); (M-H)-Citric acidME193044311-1.063192.0272
CITRULLINE (CAS# 372-75-8); (M-H)-CitrullineME1930459750-0.678175.0949
CMP (CAS# 63-37-6); (M-H)-CMPME1930466131-0.953323.0518
CORTICOSTERONE (CAS# 50-22-6); (M+HCOO)-CorticosteroneME1930475753-15.459346.2113
CORTISOL (CAS# 50-23-7); (M+CL)-CortisolME1930485754-13.859362.2097
CORTISOL (CAS# 50-23-7); (M+HCOO)-CortisolME1930495754-13.872362.2097
CORTISONE (CAS# 53-06-5); (M+CL)-CortisoneME193050222786-13.449360.1933
CORTISONE (CAS# 53-06-5); (M+HCOO)-CortisoneME193051222786-13.385360.1939
CREATININE-(GUANIDINO-13C) [ISTD] (CAS# ); (M+CL)--ME19305271309782-0.712114.0628
CYCLOHEPTANECARBOXYLIC ACID (CAS# 1460-16-8); (M+H...Cycloheptanecarboxylic acidME19305315091-10.8142.0995
CYSTATHIONINE (CAS# 56-88-2); (M-H)-CystathionineME193054439258-0.769222.0689
CYSTINE (CAS# 56-89-3); (M-H)-CystineME1930556857538-0.674240.0224
CYTIDINE 5'-DIPHOSPHOCHOLINE (CAS# 987-78-0); (2M-...CDP-cholineME19305813804-0.687488.1042
CYTIDINE 5'-DIPHOSPHOCHOLINE (CAS# 987-78-0); (M+C...CDP-cholineME19305913804-0.894488.1111
CYTIDINE 5'-DIPHOSPHOCHOLINE (CAS# 987-78-0); (M-H...CDP-cholineME19306113804-0.878488.1075
CYTIDINE 5'-DIPHOSPHOCHOLINE (CAS# 987-78-0); (M+H...CDP-cholineME19306013804-0.883488.1116
CYTIDINE (CAS# 65-46-3); (M-H)-CytidineME1930576175-0.732243.0868
CYTIDINE (CAS# 65-46-3); (M+HCOO)-CytidineME1930566175-0.822243.0862
DAMP (CAS# 653-63-4); (M-H)-dAMPME19307312599-1.171331.065
D-(-)-ARABINOSE (CAS# 10323-20-3); (M+HCOO)-ArabinoseME19306266308-0.696150.0515
DECANOATE (CAS# 334-48-5); (M-H)-Capric acidME1930742969-19.915172.1462
DEHYDROASCORBATE (CAS# 490-83-5); (M+CL)-Dehydroascorbic acidME193075210328-0.78174.0154
DEHYDROASCORBATE (CAS# 490-83-5); (M-H)-Dehydroascorbic acidME193077210328-0.817174.0162
DEHYDROASCORBATE (CAS# 490-83-5); (M+HCOO)-Dehydroascorbic acidME193076210328-0.858174.0176
DEOXYADENOSINE (CAS# 16373-93-6); (M-H)-DeoxyadenosineME19307913730-1.609251.1006
DEOXYADENOSINE (CAS# 16373-93-6); (M+HCOO)-DeoxyadenosineME19307813730-2.101251.1019
DEOXYCHOLIC ACID (CAS# 83-44-3); (M+CL)-Deoxycholic acidME193080222528-21.69392.2938
DEOXYCHOLIC ACID (CAS# 83-44-3); (M-H)-Deoxycholic acidME193081222528-21.753392.2909
DEOXYCYTIDINE (CAS# 951-77-9); (M+CL)-DeoxycytidineME19308213711-0.797227.0914
DEOXYCYTIDINE (CAS# 951-77-9); (M-H)-DeoxycytidineME19308413711-0.682227.0891
DEOXYCYTIDINE (CAS# 951-77-9); (M+HCOO)-DeoxycytidineME19308313711-1.002227.0886
DEOXYURIDINE (CAS# 951-78-0); (M+CL)-DeoxyuridineME19308513712-1.505228.0736
DEOXYURIDINE (CAS# 951-78-0); (M-H)-DeoxyuridineME19308613712-1.611228.0748
D-GALACTOSAMINE (CAS# 7535-00-4); (M+HCOO)-GalactosamineME1930633034366-0.675179.0792
DGDP (CAS# 653-63-4); (M-H)-dGDPME193087439220-1.132427.0262
D-GLUCOSAMINE 6-SULFATE (CAS# 91674-26-9); (M-H)-Glucosamine 6-sulfateME1930643330962-0.694259.038
D-GLUCOSE 6-PHOSPHATE (CAS# 56-73-5); (M-H)-Glucose 6-phosphateME1930655958-0.741260.0295
DGMP (CAS# 902-04-5); (M-H)-dGMPME1930886994968-1.155347.0632
DIACETYL (CAS# 431-03-8); (M+HCOO)-DiacetylME193089650-2.08386.0361
DIETHYLSTILBESTROL (CAS# 56-53-1); (M-H)-DiethylstilbestrolME193090448537-18.755268.1447
DIHYDROXYMANDELIC ACID (CAS# 775-01-9); (2M-H)-Dihydroxymandelic acidME19309185782-1.022184.0372
DIHYDROXYMANDELIC ACID (CAS# 775-01-9); (M-H)-Dihydroxymandelic acidME19309285782-1.032184.0363
D-LYXOSE (CAS# 1114-34-7); (M+CL)-LyxoseME19306665550-0.712150.0534
D-LYXOSE (CAS# 1114-34-7); (M-H)-LyxoseME19306865550-0.678150.0519
D-LYXOSE (CAS# 1114-34-7); (M+HCOO)-LyxoseME19306765550-0.696150.0514
D-MANNOSAMINE (CAS# 14307-02-9); (M+HCOO)-2-Amino-2-deoxy-D-mannoseME1930693034366-0.675179.0792
DOCOSAHEXAENOIC ACID (CAS# 6217-54-5 ); (M-H)-Docosahexaenoic acidME193093445580-22.738328.2413
D-ORNITHINE (CAS# 348-66-3); (M-H)-D-OrnithineME1930706262-0.623132.0893
D-PSICOSE (CAS# 551-68-8); (M+CL)-PsicoseME19307190008-0.685180.0632
D-TAGATOSE (CAS# 87-81-0); (M+CL)-D-TagatoseME19307290008-0.685180.0632
DTDPGLUCOSE (CAS# ); (M-H)-dTDP-glucoseME193094443210-2.223564.0801
DUMP (CAS# 964-26-1); (M-H)-dUMPME19309565063-1.082308.039
EDTA (CAS# 60-00-4); (M-H)-Edetic acidME1930966049-1.089292.0911
ELAIDIC ACID (CAS# 112-79-8); (M-H)-Elaidic acidME193097637517-22.98282.2565
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+CL)-24-epi-BrassinolideME193098115196-19.88480.3453
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+HCOO)...24-epi-BrassinolideME193099115196-19.88480.346
ERUCIC ACID (CAS# 112-86-7); (M-H)-cis-Erucic acidME1931005281116-23.735338.3184
ETHYLMALONIC ACID (CAS# 601-75-2); (M-H)-Ethylmalonic acidME19310111756-2.643132.0412
FERULATE (CAS# 1135-24-6); (M-H)-trans-Ferulic acidME193102445858-8.138194.0563
FLAVIN ADENINE DINUCLEOTIDE (CAS# 146-14-5); (M-H)...FADME193103643975-6.092785.1581
FOLIC ACID (CAS# 59-30-3); (M-H)-Folic acidME1931046037-5.864441.1431
FRUCTOSE (CAS# 57-48-7); (M+CL)-FructoseME1931055984-0.685180.0632
FRUCTOSE (CAS# 57-48-7); (M+HCOO)-FructoseME1931065984-0.663180.0639
FUMARATE (CAS# 110-17-8); (M-H)-Fumaric acidME193107444972-1.214116.0111
GALACTARATE (CAS# 526-99-8); (M-H)-Galactaric acidME1931083037582-0.82210.0356
GALACTITOL OR DULCITOL (CAS# 608-66-2); (M+CL)-GalactitolME19310911850-0.875182.0776
GALACTURONIC ACID (CAS# 91510-62-2); (M-H)-Galacturonic acidME19311084740-0.656194.0417
GAMMA-BUTYROLACTONE (CAS# 96-48-0); (M+HCOO)-gamma-ButyrolactoneME1931117302-2.08786.0365
GAMMA-L-GLUTAMYL-L-CYSTEINE (CAS# 686-58-8); (M-H)...gamma-GlutamylcysteineME193112123938-0.869250.0611
GAMMA-LINOLENIC ACID (CAS# 506-26-3); (M+HCOO)-gamma-Linolenic acidME1931135280933-22.902278.2226
GDPMANNOSE (CAS# ); (M-H)-GDP-mannoseME19311418396-0.688605.0831
GERANYLGERANYL DIPHOSPHATE (CAS# 6699-20-3); (M-H)...Geranylgeranyl diphosphateME193115447277-23.209450.1908
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (2M-H)-Gibberellin A3ME1931166466-8.555346.143
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+CL)-Gibberellin A3ME1931176466-8.56346.1418
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M-H)-Gibberellin A3ME1931186466-8.556346.142
GLUCARIC ACID (CAS# 87-73-0); (M-H)-Glucaric acidME19312033037-0.834210.0356
GLUCARIC ACID (CAS# 87-73-0); (M-H)+[-H2O]Glucaric acidME19311933037-0.774210.0378
GLUCONIC ACID (CAS# 526-95-4); (M-H)-Gluconic acidME19312110690-0.697196.0569
GLUCOSAMINE 6-PHOSPHATE (CAS# 3616-42-0); (M-H)-Glucosamine 6-phosphateME193122439217-0.701259.0452
GLUCOSE 1-PHOSPHATE (CAS# 59-56-3); (M-H)-Glucose 1-phosphateME19312665533-0.733260.0295
GLUCOSE (CAS# 50-99-7); (2M+CL)-[-H2O]GlucoseME1931235793-0.702180.0618
GLUCOSE (CAS# 50-99-7); (2M+HCOO)-[-H2O]GlucoseME1931245793-0.665180.0623
GLUCOSE (CAS# 50-99-7); (M+CL)-GlucoseME1931255793-0.685180.0632
GLUCURONIC ACID (CAS# 6556-12-3); (M+CL)-Glucuronic acidME19312794715-0.699194.042
GLUCURONIC ACID (CAS# 6556-12-3); (M-H)-Glucuronic acidME19312894715-0.656194.0423
GLUTAMATE (CAS# 56-86-0); (M-H)-Glutamic acidME19312933032-0.663147.0522
GLUTAMINE (CAS# 56-85-9); (M-H)-GlutamineME1931305961-0.659146.0682
GLUTARATE (CAS# 110-94-1); (M-H)-Glutaric acidME193131743-2.088132.042
GLUTATHIONE (CAS# 27025-41-8); (M-H)-GlutathioneME193132124886-1.427612.1521
GLYCERALDEHYDE (CAS# 367-47-5); (2M-H)-[-H2O]GlyceraldehydeME19313379014-1.56590.0309
GLYCERATE (CAS# 473-81-4); (M-H)-Glyceric acidME193134439194-0.821106.0259
GLYCEROL 2-PHOSPHATE (CAS# ); (2M-H)-sn-Glycero-2-phosphateME1931352526-0.68172.0129
GLYCEROL 2-PHOSPHATE (CAS# ); (M-H)-sn-Glycero-2-phosphateME1931362526-0.779172.0136
GLYCINE (CAS# 56-40-6); (M-H)-GlycineME193137750-0.65675.0322
GLYCOCHOLATE (CAS# 475-31-0); (M-H)-Glycocholic acidME19313810140-18.943465.3064
GLYOXYLATE (CAS# 298-12-4); (M-H)-Glyoxylic acidME193139760-0.82174.0005
GUANINE (CAS# 73-40-5); (M-H)-GuanineME193140764-0.931151.0491
GUANOSINE 5'-DIPHOSPHO-BETA-L-FUCOSE (CAS# 0); (M-...-ME193143451-0.95589.0862
GUANOSINE 5'-PHOSPHATE (CAS# 85-32-5); (2M-H)+GMPME1931446804-0.989363.0601
GUANOSINE 5'-PHOSPHATE (CAS# 85-32-5); (M-H)-GMPME1931456804-1.091363.0591
GUANOSINE (CAS# 118-00-3); (M+CL)-GuanosineME1931416802-1.552283.0941
GUANOSINE (CAS# 118-00-3); (M-H)-GuanosineME1931426802-1.873283.0908
HEPTADECANOATE (CAS# 506-12-7); (M-H)-Margaric acidME19314610465-23.03270.2558
HEXACOSANOIC ACID (CAS# 506-46-7); (M-H)-Cerotic acidME19314710469-25.756396.3956
HIPPURATE (CAS# 495-69-2); (M-H)-Hippuric acidME193148464-4.892179.0581
HOMOCYSTINE (CAS# 462-10-2); (M-H)-HomocystineME19314910010-0.688268.054
HYODEOXYCHOLATE (CAS# 83-49-8); (M-H)-Hyodeoxycholic acidME1931505283820-22.909392.2956
HYPOXANTHINE (CAS# 68-94-0); (M-H)-HypoxanthineME193151790-1.114136.0384
IBUPROFEN CARBOXYLIC ACID (CAS# 15935-54-3); (M-H)...-ME19315210444113-13.068236.1049
INDICAN (CAS# 487-60-5); (2M+CL)-[-H2O]IndicanME193153441564-0.871295.1046
INDOLE-3-ACETALDEHYDE (CAS# 2591-98-2); (M-H)-IndoleacetaldehydeME193154800-2.953159.0672
INDOLE-3-ACETAMIDE (CAS# 879-37-8); (M+CL)-1H-Indole-3-acetamideME193155397-5.815174.0799
INDOLE-3-ACETATE (CAS# 87-51-4); (M-H)-Indoleacetic acidME193156802-8.581175.0635
INDOLE-3-PYRUVIC ACID (CAS# 392-12-1); (M-H)-Indolepyruvic acidME193157803-10.548203.0595
INOSINE 5'-DIPHOSPHATE (CAS# 86-04-4); (M-H)-IDPME1931606831-0.633428.0146
INOSINE 5'-DIPHOSPHATE (CAS# 86-04-4); (M-H)+[-H2O...IDPME1931596831-0.596428.0115
INOSINE 5'-PHOSPHATE (CAS# 131-99-7); (M-H)-IMPME1931618582-1.036348.0502
INOSINE (CAS# 58-63-9); (M-H)-InosineME1931586021-1.841268.0814
ISOCITRATE (CAS# 320-77-4); (M-H)-Isocitric acidME1931625318532-0.78192.0261
ISOLEUCINE (CAS# 73-32-5); (M-H)-IsoleucineME1931636306-1.55131.0946
ITACONATE (CAS# 97-65-4); (M-H)-Itaconic acidME193164811-1.646130.0273
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (2M-H)-Jasmonic acidME1931655281166-13.219210.1251
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M-H)-Jasmonic acidME1931665281166-13.219210.1261
KYNURENINE (CAS# 343-65-7); (M-H)-KynurenineME193167161166-2.234208.0847
L-[15N]ANTHRANILIC ACID [ISTD] (CAS# ); (M-H)-2-Aminobenzoic acidME193182227-5.434138.0442
LACTOSE (CAS# 63-42-3); (M+CL)-LactoseME193183440995-0.705342.1132
LACTOSE (CAS# 63-42-3); (M-H)-LactoseME193184440995-0.685342.1138
LANTHIONINE (CAS# 3183-08-2); (M-H)-LanthionineME193185102950-0.74208.0523
L-ARGININE (CAS# 74-79-3); (M-H)-ArginineME1931686322-0.641174.1108
L-ARGININE-(GUANIDINEIMINO-15N2) [ISTD] (CAS# ); (...-ME19316916217579-0.629176.107
LAURIC ACID (CAS# 143-07-7); (M-H)-Lauric acidME1931863893-21.814200.1775
L-CARNITINE (CAS# 541-15-1); (M+CL)-CarnitineME19317010917-0.647161.104
LEUCINE (CAS# 328-39-2); (M-H)-LeucineME1931876106-1.565131.0945
LEUKOTRIENE B4 (CAS# 71160-24-2); (M-H)-LTB4ME1931885280492-20.488336.229
L-FUCOSE 1-PHOSPHATE (CAS# 16562-58-6); (2M-H)-Fucose 1-phosphateME193171439871-0.641244.0336
L-GULONATE (CAS# 6322-07-2); (M+CL)+[-H2O]Gulonic acidME193172152304-0.742196.0573
L-GULONATE (CAS# 6322-07-2); (M-H)-Gulonic acidME193174152304-0.697196.0569
L-GULONATE (CAS# 6322-07-2); (M-H)+[-H2O]Gulonic acidME193173152304-0.756196.0566
L-HISTIDINE (CAS# 71-00-1); (M-H)-HistidineME1931756274-0.638155.0693
LIGNOCERIC ACID (CAS# 557-59-5); (M-H)-Lignoceric acidME19318911197-24.823368.3649
LINOLEATE (CAS# 60-33-3); (M-H)-Linoleic acidME1931905280450-22.774280.2407
LITHOCHOLIC ACID (CAS# 434-13-9); (M-H)-Lithocholic acidME1931919903-22.397376.2955
L-METHIONINE SULFOXIMINE (CAS# 15985-39-4); (M-H)-Methionine sulfoximineME19317689034-0.706180.0586
L-ORNITHINE (CAS# 70-26-8); (M-H)-OrnithineME1931776262-0.623132.0893
L-RHAMNOSE (CAS# 10030-85-0); (M+CL)-RhamnoseME19317825310-0.724164.0683
L-RHAMNOSE (CAS# 10030-85-0); (M-H)-RhamnoseME19318025310-0.834164.0672
L-RHAMNOSE (CAS# 10030-85-0); (M+HCOO)-RhamnoseME19317925310-0.709164.068
L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M-H)-TryptophanME19318116217285-3.669206.0838
LUMICHROME (CAS# 1086-80-2); (M-H)-LumichromeME1931925326566-10.976242.0807
LYSINE (CAS# 56-87-1); (M-H)-LysineME1931935962-0.612146.1058
MALATE (CAS# 97-67-6); (M-H)-Malic acidME193196222656-0.844134.0217
MALATE (CAS# 97-67-6); (M-H)+[-H2O]Malic acidME193195222656-0.821134.0223
MALEAMATE (CAS# 557-24-4); (M-H)-Maleamic acidME1931975280451-0.653115.0267
MALEIC ACID (CAS# 110-16-7); (M-H)-Maleic acidME193198444266-0.995116.0111
MALONATE (CAS# 141-82-2); (M-H)-Malonic acidME193199867-0.939104.0106
MALONIC ACID-D4 (CAS# 813-56-9); (M-H)-Malonic acidME193200867-0.904108.0357
MALTOSE (CAS# 69-79-4); (M+CL)-MaltoseME193201439186-0.705342.1132
MALTOSE (CAS# 69-79-4); (M+HCOO)-MaltoseME193202439186-0.726342.113
MANDELIC ACID (CAS# 611-71-2); (M-H)-Mandelic acidME19320311914-5.706152.0471
MANNITOL (CAS# 69-65-8); (M+CL)-MannitolME1932046251-0.94182.0804
MANNOSE-6-PHOSPHATE (CAS# 3672-15-9); (M-H)-Mannose 6-phosphateME193205439198-0.736260.0295
MELIBIOSE (CAS# 585-99-9); (M+CL)-MelibioseME193206440658-0.705342.1132
MELIBIOSE (CAS# 585-99-9); (M+HCOO)-MelibioseME193207440658-0.737342.113
METHIONINE (CAS# 63-68-3); (M-H)-MethionineME1932086137-1.007149.0507
METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+CL)...Methyl beta-D-galactosideME19320994214-0.812194.078
METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+HCO...Methyl beta-D-galactosideME19321094214-0.684194.0779
METHYLMALONATE (CAS# 516-05-2); (M-H)-Methylmalonic acidME193211487-1.345118.0269
M-HYDROXYMANDELIC ACID (CAS# 17119-15-2); (2M-H)-3-Hydroxymandelic acidME19319486957-2.264168.043
MYRISTIC ACID (CAS# 544-63-8); (M-H)-Myristic acidME19321211005-22.495228.209
MYRISTOLEIC ACID (CAS# 544-64-9); (M-H)-Myristoleic acidME1932135281119-22.055226.193
N6-(DELTA2-ISOPENTENYL)-ADENINE (CAS# 2365-40-4); ...N6-IsopentenyladenineME19324092180-7.928203.1171
N6-(DELTA2-ISOPENTENYL)-ADENINE (CAS# 2365-40-4); ...N6-IsopentenyladenineME19324192180-7.925203.1169
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+CL)-N-AcetylglucosamineME193214446101-0.707221.089
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+HCOO)-N-AcetylglucosamineME193215446101-0.664221.0903
N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M-H)-N-Acetylglutamic acidME193218185-1.336189.0635
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M-H)-N-AcetylmethionineME193219448580-4.132191.0612
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M-H)-N-AcetylserineME19322065249-0.67147.0522
N-ACETYL-D-MANNOSAMINE (CAS# 3615-17-6); (M+CL)-N-Acetyl-mannosamineME19321653477792-0.707221.089
N-ACETYL-D-TRYPTOPHAN (CAS# 2280-01-5); (M-H)-N-Acetyl-D-tryptophanME193217439917-8.013246.0999
N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+CL)-N-AcetylgalactosamineME19322735717-0.707221.089
N-ACETYLGLYCINE (CAS# 543-24-8); (M-H)-N-AcetylglycineME1932281097-0.979117.0417
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M-H)-N-AcetylalanineME19322188064-1.489131.0575
N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M-H)-N-Acetylaspartic acidME19322265065-0.966175.0474
N-ACETYL-L-CYSTEINE (CAS# 616-91-1); (M-H)-N-AcetylcysteineME19322312035-3.556324.0472
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (2M-H)-N-AcetylleucineME19322475619-7.254173.1049
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M-H)-N-AcetylleucineME19322575619-7.256173.1052
N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M-H)-N-AcetylphenylalanineME19322674839-7.79207.0896
N-ACETYLNEURAMINATE (CAS# 131-48-6); (M-H)-N-Acetylneuraminic acidME193229439197-0.61309.1057
NAD (CAS# 53-84-9); (M-H)-NADME1932425893-1.04663.1104
N-ALPHA-ACETYL-L-ASPARAGINE (CAS# 4033-40-3); (M-H...N-AcetylasparagineME19323099715-0.798174.0634
N-ALPHA-ACETYL-L-LYSINE (CAS# 1946-82-3); (M-H)-N(2)-AcetyllysineME19323192907-0.999188.1147
N-AMIDINO-L-ASPARTATE (CAS# 6133-30-8); (M+CL)-Guanidinosuccinic acidME193233439918-0.914175.061
N-AMIDINO-L-ASPARTATE (CAS# 6133-30-8); (M+CL)+[-H...Guanidinosuccinic acidME193232439918-0.831175.061
N-BENZYLOXYCARBONYLGLYCINE (CAS# 1138-80-3); (2M-H...N-BenzyloxycarbonylglycineME19323414349-8.663209.0675
N-BOC-D-GLUCOSAMINE (CAS# 75251-80-8); (M+CL)-GlucosamineME19323513998612-3.492279.1332
N-BOC-D-GLUCOSAMINE (CAS# 75251-80-8); (M-H)-GlucosamineME19323713998612-3.389279.1295
N-BOC-D-GLUCOSAMINE (CAS# 75251-80-8); (M+HCOO)-GlucosamineME19323613998612-4.094279.1312
NERVONIC ACID (CAS# 506-37-6); (M-H)-Nervonic acidME1932435281120-24.234366.3497
NICOTINATE (CAS# 59-67-6); (M-H)-Nicotinic acidME193244938-1.056123.0316
NICOTINIC ACID MONONUCLEOTIDE (CAS# ); (M-H)-Nicotinic acid mononucleotideME1932454484-0.678335.0434
N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M-H)-N-Methyl-D-aspartic acidME1932384376-0.663147.0522
N-OLEOYLGLYCINE (CAS# 2601-90-3); (M-H)-N-Oleoyl glycineME1932396436908-22.568339.276
NONANOATE (CAS# 112-05-0); (M-H)-Pelargonic acidME1932468158-18.451158.1302
NORLEUCINE (CAS# 327-57-1); (M-H)-NorleucineME19324721236-1.566131.0946
OLEIC ACID (CAS# 112-80-1); (M-H)-Oleic acidME193250445639-22.98282.2565
OMEGA-HYDROXYDODECANOIC ACID (CAS# 505-95-3); (M-H...12-Hydroxy lauric acidME19325179034-17.053216.1719
O-PHOSPHO-DL-SERINE (CAS# 17885-08-4); (2M-H)+DL-O-PhosphoserineME193248106-0.597185.0075
OPHTHALMIC ACID (CAS# 495-27-2); (M-H)-Ophthalmic acidME1932527018721-1.207289.1276
OROTATE (CAS# 65-86-1); (M-H)-Orotic acidME193253967-0.813156.0159
O-SUCCINYL-L-HOMOSERINE (CAS# 1492-23-5); (M-H)-o-SuccinylhomoserineME193249439406-1.165219.0722
OXALATE (CAS# 144-62-7); (M-H)-Oxalic acidME193254971-0.85789.9948
OXALOACETATE (CAS# 328-42-7); (M-H)-[-H2O]Oxaloacetic acidME193255970-0.774132.0051
OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M-2H)-2Oxidized glutathioneME19325665359-1.213612.1497
OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M-H)-Oxidized glutathioneME19325765359-1.427612.1521
OXOMALONATE (CAS# 473-90-5); (M-H)-Mesoxalic acidME19325810132-0.866117.9893
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (CAS# 120595-...p-AcetamidophenylglucuronideME19325983944-2.378327.0957
PALATINOSE (CAS# 343336-76-5); (M+CL)-PalatinoseME193260439559-0.706342.1132
PALATINOSE (CAS# 343336-76-5); (M+HCOO)-PalatinoseME193261439559-0.737342.113
PALMITATE (CAS# 57-10-3); (M-H)-Palmitic acidME193262985-22.899256.2405
PALMITOLEIC ACID (CAS# 373-49-9); (M-H)-Palmitoleic acidME193263445638-22.639254.2249
PANTOTHENATE (CAS# 79-83-4); (M+CL)-Pantothenic acidME1932646613-3.336219.1106
PANTOTHENATE (CAS# 79-83-4); (M-H)-Pantothenic acidME1932656613-3.329219.1109
PARAXANTHINE (CAS# 611-59-6); (M-H)-ParaxanthineME1932664687-4.454180.0646
PENICILLAMINE (CAS# 52-67-5); (2M-H)+[-H2]PenicillamineME1932675852-1.153149.0507
PENTANOATE (CAS# 109-52-4); (M+HCOO)-Valeric acidME1932687991-2.237102.0675
PHENOL (CAS# 108-95-2); (M-H)-PhenolME193269996-4.16594.042
PHENYL ACETATE (CAS# 122-79-2); (M+HCOO)-Phenyl acetateME193270999-3.862136.0519
PHENYLALANINE (CAS# 63-91-2); (M-H)-PhenylalanineME1932716140-2.521165.0788
PHENYLPYRUVATE (CAS# 156-06-9); (M-H)-Phenylpyruvic acidME193272997-5.583164.0467
PHOSPHOCREATINE (CAS# 67-07-2); (M-H)-PhosphocreatineME1932739548602-0.921211.0345
PHOSPHOENOLPYRUVATE (CAS# 138-08-9); (M-H)-Phosphoenolpyruvic acidME1932741005-1.434167.9822
PHYTANATE (CAS# 14721-66-5); (M-H)-Phytanic acidME19327510380830-23.32312.3018
PICOLINIC ACID (CAS# 98-98-6); (M-H)-Picolinic acidME1932761018-1.057123.0316
PINITOL (CAS# 10284-63-6); (M+CL)-PinitolME193277164619-0.812194.078
PROCOLLAGEN 5-HYDROXY-L-LYSINE (CAS# 1190-94-9); (...-ME19327883228-0.59162.0993
PROPENOATE (CAS# 79-10-7); (M-H)-Acrylic acidME1932796581-1.2772.0218
PROSTAGLANDIN E2 (CAS# 363-24-6); (M+CL)-PGE2ME1932805280360-16.807352.2224
PTERIN (CAS# 2236-60-4); (M-H)-PterinME19328173000-1.591163.0498
PURINE (CAS# 120-73-0); (M-H)-PurineME1932821044-1.472120.0427
PYRIDOXAL PHOSPHATE (CAS# 853645-22-4); (M-H)-Pyridoxal 5'-phosphateME1932831051-1.437247.0265
PYRUVATE (CAS# 127-17-3); (M-H)-Pyruvic acidME1932841060-0.76188.0159
QUINATE (CAS# 77-95-2); (M-H)-Quinic acidME1932856508-0.663192.0641
RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+CL)...MG 14:0ME19328679050-22.06302.2452
RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+HCO...MG 14:0ME19328779050-22.04302.2454
RAFFINOSE (CAS# 512-69-6); (M+CL)-RaffinoseME193288439242-0.713504.1649
RAFFINOSE (CAS# 512-69-6); (M+HCOO)-RaffinoseME193289439242-0.758504.1662
RETINOATE (CAS# 302-79-4); (M-H)-Retinoic acidME193290444795-22.335300.2115
RIBITOL (CAS# 488-81-3); (M+CL)-RibitolME19329194154-0.753152.0693
RIBOFLAVIN (CAS# 83-88-5); (2M-H)-RiboflavinME193292493570-7.659376.1391
RIBOFLAVIN (CAS# 83-88-5); (M+CL)-RiboflavinME193293493570-7.666376.1401
RIBOFLAVIN (CAS# 83-88-5); (M-H)-RiboflavinME193295493570-7.656376.1403
RIBOFLAVIN (CAS# 83-88-5); (M+HCOO)-RiboflavinME193294493570-7.656376.1404
RIBOSE 5-PHOSPHATE (CAS# 4300-28-1); (M-H)-Ribose 5-phosphateME193297439167-0.705230.0185
RIBOSE (CAS# 50-69-1); (M+CL)-RiboseME1932965779-0.716150.0521
(S)-2-AMINO-3-(3-HYDOXY-4-OXO-4H-PYRIDIN-1-YL)PROP...MimosineME192921440473-0.864198.0651
(S)-3-METHYL-2-OXOPENTANOATE (CAS# 1460-34-0); (M-...3-Methyl-2-oxovaleric acidME19292247-4.503130.0629
S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M+CL)-S-AdenosylhomocysteineME193298439155-1.371384.1226
S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M-H)-S-AdenosylhomocysteineME193299439155-1.418384.1237
SALICYLATE (CAS# 69-72-7); (M-H)-Salicylic acidME193300338-8.346138.0313
SALICYLURIC ACID (CAS# 487-54-7); (M-H)-Salicyluric acidME19330110253-6.269195.0544
(-)-SALSOLINOL (CAS# 27740-96-1); (M+CL)-SalsolinolME1929197157331-1.621179.0936
(S)-DIHYDROOROTATE (CAS# 5988-19-2); (M-H)-4,5-Dihydroorotic acidME1929231149667-0.813158.0324
SEBACIC ACID (CAS# 111-20-6); (M-H)-Sebacic acidME1933025192-13.019202.1208
SERINE (CAS# 56-45-1); (M-H)-SerineME193303617-0.652105.0424
SHIKIMATE (CAS# 138-59-0); (M-H)-Shikimic acidME1933048742-0.723174.0542
SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+...sn-Glycero-3-phosphocholineME193305439285-0.732257.1037
SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+...sn-Glycero-3-phosphocholineME193306439285-0.73257.1016
SORBITOL (CAS# 50-70-4); (M+CL)-SorbitolME1933075780-0.875180.0619
STACHYOSE (CAS# 54261-98-2); (M+CL)-StachyoseME193308439531-0.755666.219
STACHYOSE (CAS# 54261-98-2); (M-H)-StachyoseME193310439531-0.605666.2189
STACHYOSE (CAS# 54261-98-2); (M+HCOO)-StachyoseME193309439531-0.652666.2273
STEARATE (CAS# 57-11-4); (M-H)-Stearic acidME1933115281-23.24284.2719
SUBERIC ACID (CAS# 505-48-6); (M-H)-Suberic acidME19331210457-8.32174.0885
SUCCINATE (CAS# 110-15-6); (M-H)-Succinic acidME1933131110-1.345118.0269
SUCROSE (CAS# 57-50-1); (M+CL)-SucroseME1933145988-0.706342.1132
SUCROSE (CAS# 57-50-1); (M+HCOO)-SucroseME1933155988-0.737342.113
TARTARIC ACID (CAS# 87-69-4); (M-H)-Tartaric acidME193316875-0.738150.0157
TAURINE (CAS# 107-35-7); (M-H)-TaurineME1933171123-0.648125.0148
THEOPHYLLINE (CAS# 58-55-9); (M-H)-TheophyllineME1933182153-4.441180.0646
THREONINE (CAS# 72-19-5); (M+HCOO)-[-H2O]ThreonineME1933196288-0.672119.0573
THROMBOXANE B2 (CAS# 54397-85-2); (M-H)-TXB2ME1933205283137-16.795370.2338
THROMBOXANE B2 (CAS# 54397-85-2); (M-H)-[-H2O]TXB2ME1933215283137-16.988370.232
THYMIDINE 5'-MONOPHOSPHATE (CAS# 365-07-1); (M-H)-TMPME19332512803287-1.709322.0595
THYMIDINE (CAS# 50-89-5); (M+CL)-ThymidineME1933225789-2.775242.0911
THYMIDINE (CAS# 50-89-5); (M-H)-ThymidineME1933245789-2.712242.0896
THYMIDINE (CAS# 50-89-5); (M+HCOO)-ThymidineME1933235789-2.652242.0905
THYMINE (CAS# 65-71-4); (M-H)-ThymineME1933261135-1.752126.0428
THYROTROPIN RELEASING HORMONE (CAS# 24305-27-9); (...Thyrotropin releasing hormoneME193327638678-1.435362.1668
THYROXINE (CAS# 51-48-9); (M-H)-ThyroxineME1933285819-16.24776.688
TRANS-ACONITATE (CAS# 4023-65-8); (M-H)-trans-Aconitic acidME193329444212-1.285174.0164
TRANS-VACCENIC ACID (CAS# 693-72-1); (M-H)-trans-Vaccenic acidME1933305281127-22.98282.2565
TRICARBALLYLIC ACID (CAS# 99-14-9); (M-H)-1,2,3-Propanetricarboxylic acidME19333114925-1.288176.0323
TRICARBALLYLIC ACID (CAS# 99-14-9); (M-H)-[-H2O]1,2,3-Propanetricarboxylic acidME19333214925-1.177176.032
TRICOSANOIC ACID (CAS# 2433-96-7); (M-H)-Tricosylic acidME19333317085-24.379354.3493
TRIDECANOIC ACID (CAS# 638-53-9); (M-H)-Tridecylic acidME19333412530-22.181214.1932
TRYPTOPHAN (CAS# 73-22-3); (2M-H)-TryptophanME1933356305-3.627204.0888
TRYPTOPHAN (CAS# 73-22-3); (M-H)-TryptophanME1933366305-3.627204.0897
TYROSINE (CAS# 60-18-4); (M-H)-TyrosineME1933376057-1.323181.0734
UDP-GALACTOSE (CAS# 2956-16-3); (M-H)-UDP-galactoseME19333844134987-1.383566.0605
UDP-GLUCOSE (CAS# 133-89-1); (M-H)-UDP-glucoseME19333953477679-1.383566.0605
UDP-N-ACETYL-D-GALACTOSAMINE (CAS# ); (M-H)-UDP-N-acetylgalactosamineME19334123724461-0.815607.0788
UDP-N-ACETYL-D-GALACTOSAMINE (CAS# ); (M-H)+[-H2O]UDP-N-acetylgalactosamineME19334023724461-0.664607.0773
UDP-N-ACETYL-D-GLUCOSAMINE (CAS# 528-04-1); (M-H)-UDP-N-acetylglucosamineME193342445675-1.346607.0865
URACIL 5-CARBOXYLATE (CAS# 23945-44-0); (M-H)-Uracil-5-carboxylic acidME1933446971263-0.951156.016
URACIL (CAS# 66-22-8); (M-H)-UracilME1933431174-0.818112.0271
URATE (CAS# 69-93-2); (M-H)-Uric acidME1933451175-1.012168.0286
URIDINE-5-MONOPHOSPHATE (CAS# 58-97-9); (M-H)-UMPME1933486030-0.992324.0364
URIDINE (CAS# 58-96-8); (M+CL)-UridineME1933466029-1.42244.07
URIDINE (CAS# 58-96-8); (M-H)-UridineME1933476029-1.372244.07
UROCANATE (CAS# 104-98-3); (M-H)-Urocanic acidME193349736715-0.832138.042
URSODIOL (CAS# 128-13-2); (M-H)-Ursodeoxycholic acidME19335131401-21.753392.2909
URSODIOL (CAS# 128-13-2); (M+HCOO)-Ursodeoxycholic acidME19335031401-21.649392.2916
VALINE (CAS# 72-18-4); (M-H)-ValineME1933526287-0.839117.0781
XANTHINE (CAS# 69-89-6); (M-H)-XanthineME1933531188-1.298152.0334
XANTHOSINE 5'-PHOSPHATE (CAS# 523-98-8); (M-H)-XMPME19335573323-1.02364.0386
XANTHOSINE (CAS# 146-80-5); (M-H)-XanthosineME19335464959-2.325284.0766
XYLOSE (CAS# 58-86-6); (M+HCOO)-XyloseME193356135191-0.696150.0515
ZEATIN [ISTD] (CAS# 13114-27-7); (M+CL)-trans-ZeatinME193357449093-3.931219.1123
ZEATIN [ISTD] (CAS# 13114-27-7); (M-H)-trans-ZeatinME193358449093-3.93219.1122


Analysis: Reversed phase POSITIVE ION MODE (View original submitter results)

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+H)+[-H2O]10-Hydroxydecanoic acidME1933726991989-13.581188.1406
10-HYDROXYDECANOATE (CAS# 1679-53-4); (M+NA)+10-Hydroxydecanoic acidME1933736991989-13.568188.1415
11-DEOXYCORTICOSTERONE (CAS# 64-85-7); (M+NA)+11-DeoxycorticosteroneME1933746166-16.852330.2199
1-(4-HYDROXYPHENYL)-2-AMINOETHANOL (CAS# 104-14-3)...-ME1933644581-0.859153.0779
1-(5'-PHOSPHORIBOSYL)-5-AMINO-4-IMIDAZOLECARBOXAMI...AICARME19336565110-0.651338.0616
16:0-18:0 PC (CAS# 59403-51-9); (M+H)+PC 16:0_18:0ME19337718631368-25.545761.5895
16:0-18:0 PC (CAS# 59403-51-9); (M+NA)+PC 16:0_18:0ME19337818631368-25.564761.5952
16:0 LYSO PC (CAS# 17364-16-8); (M+H)+LPC 16:0ME193375460602-22.23495.3335
16:0 LYSO PC (CAS# 17364-16-8); (M+NA)+LPC 16:0ME193376460602-22.279495.3334
17ALPHA-HYDROXYPROGESTERONE (CAS# 68-96-2); (M+NA)...17alpha-HydroxyprogesteroneME1933796238-17.882330.2219
17BETA-HYDROXYANDROSTAN-3-ONE (CAS# 521-18-6); (M+...5alpha-DihydrotesosteroneME19338010635-18.751290.2246
18:0 LYSO-PE (CAS# 69747-55-3); (2M+NA)+LPE 18:0ME1933819547068-22.765481.3192
18:0 LYSO-PE (CAS# 69747-55-3); (M+H)+LPE 18:0ME1933829547068-22.68481.313
18:0 LYSO-PE (CAS# 69747-55-3); (M+NA)+LPE 18:0ME1933839547068-22.469481.3214
1-AMINOCYCLOPROPANE-1-CARBOXYLATE (CAS# 22059-21-8...1-Aminocyclopropanecarboxylic acidME1933665460234-0.91101.0475
1-METHYLADENOSINE (CAS# 15763-06-1); (M+H)+1-MethyladenosineME19336727476-2.925281.1151
1-METHYLNICOTINAMIDE (CAS# ); M+1-Methyl nicotinamideME193368457-0.836137.0724
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+H)+[-H2O...MG 18:1ME1933695283468-22.838356.2893
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+NA)+MG 18:1ME1933705283468-22.709356.2943
1-PHENYLETHANOL (CAS# 1445-91-6); (M+H)+[-H2O]1-PhenylethanolME1933717409-2.873122.0739
20:0 LYSO PC (CAS# 108341-80-6); (M+H)+LPC 20:0ME19339924779473-22.853551.3917
20:0 LYSO PC (CAS# 108341-80-6); (M+NA)+LPC 20:0ME19340024779473-22.904551.3922
24:0 SM (D18:1/24:0) (CAS# 60037-60-7); (M+H)+SM 18:1;O2/24:0ME19340144260127-27.885814.6963
24:0 SM (D18:1/24:0) (CAS# 60037-60-7); (M+NA)+SM 18:1;O2/24:0ME19340244260127-27.872814.6937
25-HYDROXYCHOLESTEROL (CAS# 2140-46-7); (M+H)+[-H2...25-HydroxycholesterolME19340365094-22.888402.3464
25-HYDROXYCHOLESTEROL (CAS# 2140-46-7); (M+NA)+25-HydroxycholesterolME19340465094-22.958402.3477
2-AMINO-2-METHYLPROPANOATE (CAS# 62-57-7); (M+H)+Aminoisobutyric acidME19338822316286-1.424103.063
2-AMINOBUTANOATE (CAS# 2623-91-8); (M+H)+2-Aminobutyric acidME19338921889526-0.817103.0636
2'-DEOXYCYTIDINE 5'-MONOPHOSPHATE (CAS# 1032-65-1)...dCMPME19338413945-0.687307.0577
2'-DEOXYGUANOSINE (CAS# 961-07-9); (M+H)+DeoxyguanosineME193385187790-1.79267.0962
2'-DEOXYINOSINE (CAS# 890-38-0); (2M+NA)+DeoxyinosineME19338665058-1.824252.0865
2'-DEOXYINOSINE (CAS# 890-38-0); (M+NA)+DeoxyinosineME19338765058-2.102252.0834
2-HYDROXY-3-METHYLBUTYRIC ACID (CAS# 4026-18-0); (...2-Hydroxy-3-methylbutyric acidME193390853180-3.533118.0639
2-HYDROXYBUTYRATE (CAS# ); (M+NA)+2-Hydroxybutyric acidME19339111266-1.749104.0478
2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M+H)+2-Methylglutaric acidME19339212046-3.6146.0568
2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M+H)+[-H...2-Methylglutaric acidME19339312046-3.872146.0587
2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M+NA)+2-Methylglutaric acidME19339412046-3.57146.059
2-METHYLMALEATE (CAS# 498-23-7); (M+NA)+Citraconic acidME193395643798-2.113130.0275
2-METHYLPROPANAL OXIME (CAS# 151-00-8); (M+H)+[-H2...2-Methylpropanal oximeME1933969023-0.99687.0692
2-METHYLPROPANOATE (CAS# 79-31-2); (M+NA)+Isobutyric acidME1933976590-3.09188.0527
2-OXOBUTANOATE (CAS# 600-18-0); (M+H)+3-Methyl pyruvic acidME19339858-0.699102.0327
3-AMINO-4-HYDROXYBENZOIC ACID (CAS# 1571-72-8); (M...3-Amino-4-hydroxybenzoic acidME19340665083-1.303153.0411
3-AMINOISOBUTANOATE (CAS# 144-90-1); (M+H)+[-H2O]3-Aminoisobutanoic acidME19340764956-1.823103.0639
3BETA-HYDROXY-5ALPHA-PREGNAN-20-ONE (CAS# 516-55-2...3beta-Hydroxy-5alpha-pregnan-20-oneME19342292787-20.738318.2555
3BETA-HYDROXYANDROST-5-EN-17-ONE 3-SULFATE (CAS# )...Dehydroepiandrosterone sulfateME19342312594-14.733368.1692
3'-CMP (CAS# 63-37-6); (M+H)+3'-CMPME19340566535-0.683323.0544
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M+H)...3-Hydroxymethylglutaric acidME1934081662-1.889162.054
3-HYDROXYANTHRANILATE (CAS# 548-93-6); (M+H)+3-Hydroxyanthranilic acidME19340986-2.965153.0417
3-METHOXYTYRAMINE (CAS# ); (M+H)+3-MethoxytyramineME1934101669-1.992167.0938
3-METHYGLUTARIC ACID (CAS# 626-51-7); (M+H)+Methylglutaric acidME19341112284-3.6146.0568
3-METHYGLUTARIC ACID (CAS# 626-51-7); (M+H)+[-H2O]Methylglutaric acidME19341212284-3.82146.0592
3-METHYGLUTARIC ACID (CAS# 626-51-7); (M+NA)+Methylglutaric acidME19341312284-3.57146.059
3-METHYL-2-BUTENAL (CAS# 107-86-8); (M+NA)+3-Methyl-2-butenalME19341461020-2.70384.0579
3-METHYL-2-OXINDOLE (CAS# 1504-06-9); (M+H)+3-MethyloxindoleME193415150923-9.197147.0682
3-METHYLADENINE (CAS# 5142-23-4); (M+H)+3-MethyladenineME1934161673-0.738149.0708
3-METHYLADENINE (CAS# 5142-23-4); (M+NA)+3-MethyladenineME1934171673-0.632149.069
3-METHYLADIPIC ACID (CAS# 3058-01-3); (M+NA)+3-Methyladipic acidME19341812292-5.618160.0745
3-PHOSPHOGLYCERATE (CAS# ); (M+H)+3-Phosphoglyceric acidME193419439183-0.511185.9918
3-UREIDOPROPIONIC ACID (CAS# 462-88-4); (M+H)+Ureidopropionic acidME193420111-1.018132.054
3-UREIDOPROPIONIC ACID (CAS# 462-88-4); (M+H)+[-H2...Ureidopropionic acidME193421111-0.773132.0536
4-ACETAMIDOBUTANOATE (CAS# 3025-96-5); (M+NA)+4-Acetamidobutanoic acidME19342418189-1.849145.0752
4-AMINOBENZOATE (CAS# 150-13-0); (M+H)+p-Aminobenzoic acidME193425978-2.798137.0479
4-AMINOBUTANOATE (CAS# 56-12-2); (M+H)+gamma-Aminobutyric acidME193426119-0.844103.0632
4-COUMARATE (CAS# 501-98-4); (M+H)+cis-p-Coumaric acidME193427637542-6.576164.0462
4-COUMARATE (CAS# 501-98-4); (M+H)+[-H2O]cis-p-Coumaric acidME193428637542-6.932164.0479
4-HYDROXY-2-QUINOLINECARBOXYLIC ACID-KRYNURENIC AC...Kynurenic acidME1934293845-5.057189.0437
4-HYDROXY-3-METHOXY-BENZENEMETHANOL (CAS# 498-00-0...4-Hydroxy-3-methoxybenzenemethanolME19343062348-3.897154.0645
4-HYDROXYBENZALDEHYDE (CAS# 123-08-0); (M+H)+4-HydroxybenzaldehydeME193432126-4.972122.0377
4-HYDROXY-L-PROLINE (CAS# 2584-71-6); (M+H)+cis-4-HydroxyprolineME193431440015-0.879131.0587
4-PYRIDOXATE (CAS# 82-82-6); (M+NA)+4-Pyridoxic acidME1934336723-2.055183.0529
5ALPHA-CHOLEST-7-EN-3BETA-OL (CAS# 80-99-9); (M+H)...LathosterolME19344965728-24.608386.3545
5-AMINOLEVULINATE (CAS# 106-60-5); (M+H)+5-Amino-levulinic acidME193437137-0.791131.0587
5-AMINOLEVULINATE (CAS# 106-60-5); (M+NA)+5-Amino-levulinic acidME193438137-0.632131.059
5-AMINOPENTANOATE (CAS# 660-88-8); (M+H)+5-Aminopentanoic acidME193439138-0.588117.0789
5'-DEOXYADENOSINE (CAS# 4754-39-6); (M+H)+5'-DeoxyadenosineME193434439182-2.783251.1031
5-HYDROXYINDOLEACETATE (CAS# 54-16-0); (M+H)+5-Hydroxyindoleacetic acidME1934411826-4.114191.059
5-HYDROXYMETHYLURACIL (CAS# 4433-40-3); (M+H)+5-HydroxymethyluracilME19344278168-0.973142.0367
5-HYDROXYMETHYLURACIL (CAS# 4433-40-3); (M+NA)+5-HydroxymethyluracilME19344378168-0.644142.0392
5-HYDROXY OMEPRAZOLE (CAS# 92340-57-3); (M+NA)+5-HydroxyomeprazoleME193440119560-12.245361.111
5-HYDROXYTRYPTOPHAN (CAS# 4350-09-8); (2M+H)+5-Hydroxy-tryptophanME193444439280-1.738220.0837
5-HYDROXYTRYPTOPHAN (CAS# 4350-09-8); (M+H)+5-Hydroxy-tryptophanME193445439280-1.806220.0866
5-METHYLTETRAHYDROFOLATE (CAS# 134-35-0); (M+H)+5-Methyl-THFME1934469825434-3.574459.1893
5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+H)+5'-MethylthioadenosineME193435439176-4.486297.0916
5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+NA)+5'-MethylthioadenosineME193436439176-4.481297.0874
5-OXOPROLINE (CAS# 4042-36-8); (M+H)+Pyroglutamic acidME1934477405-1.216129.0432
5-VALEROLACTONE (CAS# 542-28-9); (M+H)+5-ValerolactoneME19344810953-2.087100.0523
6-CARBOXYHEXANOATE (CAS# 111-16-0); (M+NA)+Pimelic acidME193450385-5.716160.0745
6-HYDROXYNICOTINATE (CAS# 5006-66-6); (M+NA)+6-Hydroxynicotinic acidME19345172924-1.835139.0275
ABRINE (CAS# 526-31-8); (M+H)+N(alpha)-Methyl-tryptophanME193452160511-3.657218.1066
ACETOACETATE (CAS# 541-50-4); (M+NA)+Acetoacetic acidME19345396-2.527102.0318
ACETOACETYL-COA (CAS# 1420-36-6); (M+H)+Acetoacetyl-CoAME19345492153-21.184851.1328
ACETYLCHOLINE (CAS# 51-84-3); M+AcetylcholineME193455187-3.895146.1176
ADENINE (CAS# 73-24-5); (M+H)+AdenineME193456190-0.872135.0555
ADENOSINE 5'-DIPHOSPHATE (CAS# 58-64-0); (M+H)+ADPME1934586022-1.002427.0333
ADENOSINE 5'-MONOPHOSPHATE (CAS# 61-19-8); (2M+H)+AMPME1934596083-1.446347.0636
ADENOSINE 5'-MONOPHOSPHATE (CAS# 61-19-8); (M+H)+AMPME1934606083-1.428347.0656
ADENOSINE 5'-PHOSPHOSULFATE (CAS# 485-84-7); (M+NA...Adenosine phosphosulfateME19346110238-0.585427.0159
ADENOSINE (CAS# 58-61-7); (M+H)+AdenosineME19345760961-1.79267.0962
ADIPIC ACID (CAS# 124-04-9 ); (M+H)+Adipic acidME193462196-3.6146.0566
ADIPIC ACID (CAS# 124-04-9 ); (M+NA)+Adipic acidME193463196-3.57146.059
ADPGLUCOSE (CAS# ); (M+H)+ADP-glucoseME19346716500-0.882589.087
ADPGLUCOSE (CAS# ); (M+NA)+ADP-glucoseME19346816500-0.582589.0784
ADP-RIBOSE (CAS# ); (M+H)+ADP-riboseME19346433576-0.573559.0771
ADP-RIBOSE (CAS# ); (M+H)+[-H2O]ADP-riboseME19346533576-1.043559.0741
ADP-RIBOSE (CAS# ); (M+NA)+ADP-riboseME19346633576-0.579559.0738
AGMATINE (CAS# 2482-00-0); (M+H)+AgmatineME193469199-0.568130.1207
AHBA (CAS# 76045-71-1); (M+H)+3-Amino-5-hydroxybenzoic acidME193470127115-1.303153.0411
ALANINE (CAS# 56-41-7); (M+H)+AlanineME1934715950-1.12289.0485
ALLOSE (CAS# 2595-97-3); (M+H)+[-H2O]AlloseME193472439507-1.754180.0651
ALPHA-D-GALACTOSE 1-PHOSPHATE (CAS# 2255-14-3); (M...Galactose 1-phosphateME193473123912-0.662260.0304
ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+NA)+alpha-Linolenic acidME1934745280934-22.771278.222
ALPHA-TOCOPHEROL (CAS# 59-02-9); (M+H)+alpha-TocopherolME19347514985-24.506430.3808
ANDROSTERONE (CAS# 53-41-8); (M+NA)+AndrosteroneME1934765879-19.785290.223
ANTHRANILATE (CAS# 118-92-3); (M+H)+2-Aminobenzoic acidME193477227-5.134137.0478
ARABINOSE (CAS# 147-81-9); (M+NA)+ArabinoseME19347866308-0.675150.0536
ARACHIDIC ACID (CAS# 506-30-9); (M+NA)+Arachidic acidME19347910467-23.327312.3039
ASCORBATE (CAS# 50-81-7); (M+H)+[-H2O]Vitamin CME19348054670067-1.068176.0326
ASPARAGINE (CAS# 70-47-3); (M+H)+AsparagineME1934816267-0.462132.054
ASPARAGINE (CAS# 70-47-3); (M+NA)+AsparagineME1934826267-0.649132.0523
ASPARTATE (CAS# 56-84-8); (M+H)+Aspartic acidME1934835960-0.71133.0381
ASPARTATE (CAS# 56-84-8); (M+NA)+Aspartic acidME1934845960-0.631133.0373
AZELAIC ACID (CAS# 123-99-9); (M+H)+[-H2O]Azelaic acidME1934852266-10.755188.1037
AZELAIC ACID (CAS# 123-99-9); (M+NA)+Azelaic acidME1934862266-10.743188.1063
BENZOATE (CAS# 65-85-0); (M+H)+Benzoic acidME193487243-4.972122.0377
BETA-ALANINE (CAS# 107-95-9); (M+H)+beta-AlanineME193488239-0.67689.0478
BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (CAS# 584-85...AnserineME193489112072-0.711240.1213
BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (CAS# 584-85...AnserineME193490112072-0.729240.1235
BETAINE (CAS# 107-43-7); (M+H)+BetaineME193493247-0.49117.0789
BETAINE (CAS# 107-43-7); (M+NA)+BetaineME193494247-0.665117.0783
BETA-MALTOSE (CAS# 69-79-4); (2M+NA)+MaltoseME193491439186-0.7342.1157
BETA-MALTOSE (CAS# 69-79-4); (M+NA)+MaltoseME193492439186-0.676342.1182
BILIVERDIN (CAS# 114-25-0); (M+NA)+BiliverdinME1934955280353-18.46582.2492
BIOTIN (CAS# 58-85-5); (M+H)+[-H2O]BiotinME19349611966127-6.347244.0879
BIOTIN (CAS# 58-85-5); (M+NA)+BiotinME19349711966127-6.269244.0898
BIS(2-ETHYLHEXYL)PHTHALATE (CAS# 117-81-7); (M+H)+Bis(2-ethylhexyl)phthalateME1934988343-23.109390.2793
BIS(2-ETHYLHEXYL)PHTHALATE (CAS# 117-81-7); (M+NA)...Bis(2-ethylhexyl)phthalateME1934998343-23.112390.278
BIS-GAMMA-GLUTAMYLCYSTINE (CAS# 23052-19-9); (M+H)...Bis-gamma-glutamylcystineME19350090657696-0.937498.1135
BOC-LYS-OH (CAS# 13734-28-6); (M+H)+-ME1935012733284-4.698246.1589
BOC-PRO-OH (CAS# 15761-39-4); (M+NA)+-ME19350285083-11.959215.1154
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 4...-ME19350346891735-23.032643.5025
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 4...-ME19350446891735-23.005643.5031
CADAVERINE (CAS# 462-94-2); (M+NA)+CadaverineME193505273-0.578102.1151
CAFFEATE (CAS# 331-39-5); (M+H)+[-H2O]Caffeic acidME1935061549111-5.362180.0409
CAFFEINE (CAS# 58-08-2); (M+NA)+CaffeineME1935072519-5.874194.0807
CALCIDIOL (CAS# 19356-17-3); (M+NA)+25-Hydroxyvitamin D3ME1935085283731-22.63400.3304
CARNOSINE (CAS# 305-84-0); (M+H)+CarnosineME193509439224-0.664226.1069
CARNOSINE (CAS# 305-84-0); (M+NA)+CarnosineME193510439224-0.636226.1083
CATECHOL (CAS# 120-80-9); (M+H)+PyrocatecholME193511289-2.677110.0378
CELLOBIOSE (CAS# 528-50-7); (M+NA)+CellobioseME193512294-0.677342.1182
CHOLATE (CAS# 81-25-4); (M+NA)+Cholic acidME193513221493-20.357408.2847
CHOLESTEROL (CAS# 57-88-5); (M+H)+[-H2O]CholesterolME1935145997-24.608386.3545
CHOLESTEROL HYDROGEN SULFATE (CAS# 1256-86-6); M+[...Cholesterol sulfateME19351565076-23.698466.3105
CHOLINE (CAS# 62-49-7); M+CholineME193516305-0.642104.1076
CHOLINE PHOSPHATE (CAS# 107-73-3); (M+H)+Choline phosphateME1935171014-0.81183.0677
CINNAMIC ACID (CAS# 140-10-3); (M+H)+[-H2O]trans-Cinnamic acidME193518444539-11.52148.0513
CIS-VACCENIC ACID (CAS# 506-17-2); (M+H)+cis-Vaccenic acidME1935195282761-22.927282.2563
CIS-VACCENIC ACID (CAS# 506-17-2); (M+K)+cis-Vaccenic acidME1935205282761-22.958282.2532
CIS-ZEATIN (CAS# 1637-39-4); (M+H)+cis-ZeatinME193521688597-3.905219.1125
CITRAMALATE (CAS# 2306-22-1); (M+NA)+Citramalic acidME193522441696-1.514148.0385
CITRATE (CAS# 77-92-9); (M+H)+[-H2O]Citric acidME193523311-1.056192.0262
CITRATE (CAS# 77-92-9); (M+NA)+Citric acidME193524311-1.026192.0277
CITRULLINE (CAS# 372-75-8); (M+NA)+CitrullineME1935259750-0.701175.0956
CMP (CAS# 63-37-6); (M+H)+CMPME1935266131-0.682323.0507
CORTISOL (CAS# 50-23-7); (M+NA)+CortisolME1935275754-13.826362.2102
(-)-COTININE (CAS# 486-56-6); (M+H)+CotinineME193359854019-1.701176.0963
CREATINE (CAS# 57-00-1); (M+H)+CreatineME193528586-0.686131.0701
CREATININE (CAS# 60-27-5); (M+H)+CreatinineME193529588-0.756113.06
CREATININE-(GUANIDINO-13C) [ISTD] (CAS# ); (2M+H)+-ME19353071309782-0.695114.0617
CYCLOPENTANONE (CAS# 120-92-3); (2M+K)+CyclopentanoneME1935318452-3.1784.0578
CYSTATHIONINE (CAS# 56-88-2); (M+H)+[-H2O]CystathionineME193532439258-0.659222.0681
CYSTATHIONINE (CAS# 56-88-2); (M+NA)+CystathionineME193533439258-0.637222.0654
CYSTINE (CAS# 56-89-3); (M+H)+CystineME1935346857538-0.866240.0255
CYSTINE (CAS# 56-89-3); (M+NA)+CystineME1935356857538-0.644240.0235
CYTIDINE 5'-DIPHOSPHATE (CAS# 63-38-7); (M+H)+CDPME1935386132-0.7403.0203
CYTIDINE 5'-DIPHOSPHATE (CAS# 63-38-7); (M+NA)+CDPME1935396132-0.639403.022
CYTIDINE 5'-DIPHOSPHOCHOLINE (CAS# 987-78-0); (M+H...CDP-cholineME19354013804-0.576488.111
CYTIDINE 5'-DIPHOSPHOCHOLINE (CAS# 987-78-0); (M+N...CDP-cholineME19354113804-0.596488.1106
CYTIDINE (CAS# 65-46-3); (2M+H)+CytidineME1935366175-0.89243.0837
CYTIDINE (CAS# 65-46-3); (M+H)+CytidineME1935376175-0.715243.0877
CYTOSINE (CAS# 71-30-7); (M+H)+CytosineME193542597-0.806111.0438
CYTOSINE (CAS# 71-30-7); (M+NA)+CytosineME193543597-0.844111.0436
DAMP (CAS# 653-63-4); (M+H)+dAMPME19356112599-1.239331.0708
DAMP (CAS# 653-63-4); (M+NA)+dAMPME19356212599-1.235331.0711
D-(-)-ARABINOSE (CAS# 10323-20-3); (M+NA)+ArabinoseME19354466308-0.721150.0536
DEBRISOQUIN (CAS# 581-88-4); (M+H)+DebrisoquineME1935632966-5.401175.1108
DECANOATE (CAS# 334-48-5); (2M+NA)+Capric acidME1935642969-22.75172.1478
DEHYDROASCORBATE (CAS# 490-83-5); (M+H)+Dehydroascorbic acidME193565210328-1.056174.0156
DEOXYADENOSINE (CAS# 16373-93-6); (M+H)+DeoxyadenosineME19356613730-1.934251.1027
DEOXYCHOLIC ACID (CAS# 83-44-3); (M+H)+Deoxycholic acidME193567222528-21.927392.2953
DEOXYCHOLIC ACID (CAS# 83-44-3); (M+NA)+Deoxycholic acidME193568222528-21.706392.2922
DEOXYCYTIDINE (CAS# 951-77-9); (2M+NA)+DeoxycytidineME19356913711-0.837227.0921
DEOXYCYTIDINE (CAS# 951-77-9); (M+H)+DeoxycytidineME19357013711-0.838227.0915
DEOXYURIDINE (CAS# 951-78-0); (M+NA)+DeoxyuridineME19357113712-1.442228.0749
DESMOSTEROL (CAS# 313-04-2); (M+H)+[-H2O]DesmosterolME193572439577-23.97384.3383
DETHIOBIOTIN (CAS# 533-48-2); (M+H)+DethiobiotinME193573445027-8.286214.1312
DEXTROMETHORPHAN (CAS# 125-69-9); (M+H)+DextromethorphanME1935745360696-11.222271.195
D-GALACTOSAMINE (CAS# 7535-00-4); (M+H)+GalactosamineME1935453034366-0.684179.079
D-GALACTOSAMINE (CAS# 7535-00-4); (M+H)+[-H2O]GalactosamineME1935463034366-0.631179.0786
D-GALACTOSAMINE (CAS# 7535-00-4); (M+K)+GalactosamineME1935473034366-0.699179.0799
D-GALACTOSAMINE (CAS# 7535-00-4); (M+NA)+GalactosamineME1935483034366-0.615179.0796
DGDP (CAS# 653-63-4); (M+H)+dGDPME193575439220-1.239427.0332
DGDP (CAS# 653-63-4); (M+NA)+dGDPME193576439220-1.235427.0323
D-GLUCOSAMINE 6-SULFATE (CAS# 91674-26-9); (M+H)+Glucosamine 6-sulfateME1935513330962-0.769259.0356
D-GLUCOSAMINE (CAS# 3416-24-8); (M+H)+GlucosamineME193549439213-0.684179.079
D-GLUCOSAMINE (CAS# 3416-24-8); (M+NA)+GlucosamineME193550439213-0.615179.0796
D-GLUCOSE 6-PHOSPHATE (CAS# 56-73-5); (M+NA)+Glucose 6-phosphateME1935525958-0.674260.0304
D-GLUCURONOLACTONE (CAS# 32449-92-6); (M+NA)+GlucuronolactoneME193553439782-0.732176.0331
DGMP (CAS# 902-04-5); (M+H)+dGMPME1935776994968-1.097347.0654
DIETHANOLAMINE (CAS# 111-42-2); (M+NA)+DiethanolamineME1935788113-0.402105.0789
DIHYDROFOLATE (CAS# 4033-27-6); (M+H)+Dihydrofolic acidME19357998792-5.113443.1509
DIMETHYL MALEATE (CAS# 624-48-6); (M+H)+Dimethyl maleateME1935805271565-5.055144.0435
DIMETHYL MALEATE (CAS# 624-48-6); (M+NA)+Dimethyl maleateME1935815271565-4.932144.0431
DIPHENHYDRAMINE (CAS# 147-24-0); (M+H)+DiphenhydramineME1935823100-10.846255.1643
D-LYXOSE (CAS# 1114-34-7); (M+NA)+LyxoseME19355465550-0.675150.0536
D-MANNOSAMINE (CAS# 14307-02-9); (M+H)+GalactosamineME1935553034366-0.684179.079
D-MANNOSAMINE (CAS# 14307-02-9); (M+H)+[-H2O]2-Amino-2-deoxy-D-mannoseME1935563034366-0.631179.0786
D-MANNOSAMINE (CAS# 14307-02-9); (M+K)+2-Amino-2-deoxy-D-mannoseME1935573034366-0.699179.0799
D-MANNOSAMINE (CAS# 14307-02-9); (M+NA)+2-Amino-2-deoxy-D-mannoseME1935583034366-0.615179.0796
D-ORNITHINE (CAS# 348-66-3); (M+H)+D-OrnithineME1935596262-0.556132.0894
DOXYLAMINE (CAS# 469-21-6); (M+H)+DoxylamineME1935833162-6.112270.1722
D-PSICOSE (CAS# 551-68-8); (2M+NA)+[-H2O]PsicoseME19356090008-0.684180.0646
ELAIDIC ACID (CAS# 112-79-8); (M+H)+Elaidic acidME193584637517-22.937282.2563
ELAIDIC ACID (CAS# 112-79-8); (M+NA)+Elaidic acidME193585637517-22.79282.2574
EPINEPHRINE (CAS# 51-43-4); (M+H)+EpinephrineME1935865816-0.657183.0909
EPINEPHRINE (CAS# 51-43-4); (M+H)+[-H2O]EpinephrineME1935875816-0.674183.089
ESTRADIOL-17BETA (CAS# 50-28-2); (M+NA)+beta-EstradiolME1935885757-16.372272.1759
ETHYL 3-UREIDOPROPIONATE (CAS# 198879-21-9); (M+H)...Ethyl 3-(carbamoylamino)propanoateME1935893613685-3.674160.0832
ETHYLMALONIC ACID (CAS# 601-75-2); (M+NA)+Ethylmalonic acidME19359011756-3.006132.0431
FERULATE (CAS# 1135-24-6); (M+H)+trans-Ferulic acidME193591445858-8.291194.0568
FERULATE (CAS# 1135-24-6); (M+H)+[-H2O]trans-Ferulic acidME193592445858-8.158194.0572
FERULATE (CAS# 1135-24-6); (M+NA)+trans-Ferulic acidME193593445858-8.252194.0578
FLAVIN ADENINE DINUCLEOTIDE (CAS# 146-14-5); (M+H)...FADME193594643975-6.47785.159
FRUCTOSE (CAS# 57-48-7); (M+NA)+FructoseME1935955984-0.701180.063
GALACTITOL OR DULCITOL (CAS# 608-66-2); (M+H)+GalactitolME19359611850-0.529182.0799
GALACTITOL OR DULCITOL (CAS# 608-66-2); (M+H)+[-H2...GalactitolME19359711850-0.603182.0784
GALACTITOL OR DULCITOL (CAS# 608-66-2); (M+NA)+GalactitolME19359811850-0.655182.0807
GALACTURONIC ACID (CAS# 91510-62-2); (2M+NA)+Galacturonic acidME19359984740-0.631194.0434
GALACTURONIC ACID (CAS# 91510-62-2); (M+NA)+[-H2O]Galacturonic acidME19360084740-0.609194.0432
GAMMA-BUTYROLACTONE (CAS# 96-48-0); (M+H)+gamma-ButyrolactoneME1936017302-2.09386.0373
GAMMA-L-GLUTAMYL-L-CYSTEINE (CAS# 686-58-8); (M+H)...gamma-GlutamylcysteineME193602123938-1.102250.0647
GAMMA-L-GLUTAMYL-L-CYSTEINE (CAS# 686-58-8); (M+H)...gamma-GlutamylcysteineME193603123938-0.961250.0636
GAMMA-LINOLENIC ACID (CAS# 506-26-3); (M+NA)+gamma-Linolenic acidME1936045280933-22.771278.222
GDPMANNOSE (CAS# ); (M+H)+GDP-mannoseME19360518396-0.578605.0747
GDPMANNOSE (CAS# ); (M+NA)+GDP-mannoseME19360618396-0.58605.0809
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+NA)+Gibberellin A3ME1936076466-8.516346.1429
GLUCONIC ACID (CAS# 526-95-4); (M+NA)+Gluconic acidME19360810690-0.778196.0564
GLUCOSAMINATE (CAS# 3646-68-2); (M+H)+Glucosaminic acidME19360973563-0.693195.0752
GLUCOSAMINE 6-PHOSPHATE (CAS# 3616-42-0); (M+H)+Glucosamine 6-phosphateME193610439217-0.827259.0445
GLUCOSE (CAS# 50-99-7); (2M+NA)+GlucoseME1936115793-0.657180.0619
GLUCOSE (CAS# 50-99-7); (2M+NA)+[-H2O]GlucoseME1936125793-0.691180.0646
GLUCOSE (CAS# 50-99-7); (M+NA)+GlucoseME1936135793-0.648180.065
GLUCURONIC ACID (CAS# 6556-12-3); (M+NA)+Glucuronic acidME19361494715-0.744194.0437
GLUTAMATE (CAS# 56-86-0); (M+H)+Glutamic acidME19361533032-0.709147.0529
GLUTAMATE (CAS# 56-86-0); (M+H)+[-H2O]Glutamic acidME19361633032-0.666147.0536
GLUTATHIONE (CAS# 27025-41-8); (M+H)+GlutathioneME193617124886-1.362612.154
GLUTATHIONE (CAS# 27025-41-8); (M+H2)+2GlutathioneME193618124886-1.413612.1581
GLYCERALDEHYDE 3-PHOSPHATE DIETHYL ACETAL (CAS# 93...Glyceraldehyde 3-phosphate diethyl acetalME1936203334922-3.507244.0711
GLYCERALDEHYDE (CAS# 367-47-5); (2M+H)+[-H2O]GlyceraldehydeME19361979014-1.70490.0323
GLYCINE (CAS# 56-40-6); (M+H)+GlycineME193621750-0.68775.0324
GLYCOCHENODEOXYCHOLATE (CAS# 640-79-9); (M+H)+[-H2...Glycochenodeoxycholic acidME1936229548796-20.479449.3131
GLYCOCHENODEOXYCHOLATE (CAS# 640-79-9); (M+NA)+Glycochenodeoxycholic acidME1936239548796-20.443449.3099
GLYCOCHOLATE (CAS# 475-31-0); (M+NA)+Glycocholic acidME19362410140-18.824465.3076
GLYCOLITHOCHOLATE (CAS# 474-74-8 ); (M+NA)+Glycolithocholic acidME193625115245-21.648433.3235
GLYCOLITHOCHOLATE (CAS# 474-74-8 ); (M+NA)+[-H2O]Glycolithocholic acidME193626115245-21.472433.3224
GUAIFENESIN (CAS# 93-14-1); (M+H)+GuaifenesinME1936273516-7.976198.0899
GUANINE (CAS# 73-40-5); (2M+H)+GuanineME193628764-0.662151.05
GUANINE (CAS# 73-40-5); (2M+NA)+GuanineME193629764-0.899151.0501
GUANINE (CAS# 73-40-5); (M+H)+GuanineME193630764-0.919151.0503
GUANINE (CAS# 73-40-5); (M+NA)+GuanineME193631764-0.824151.0498
GUANOSINE 5'-DIPHOSPHO-BETA-L-FUCOSE (CAS# 0); (M+...-ME193634451-1.224589.087
GUANOSINE 5'-PHOSPHATE (CAS# 85-32-5); (2M+H)+GMPME1936356804-1.021363.0563
GUANOSINE 5'-PHOSPHATE (CAS# 85-32-5); (2M+NA)+[-H...GMPME1936366804-0.653363.0571
GUANOSINE 5'-PHOSPHATE (CAS# 85-32-5); (M+H)+GMPME1936376804-1.022363.0593
GUANOSINE (CAS# 118-00-3); (M+H)+GuanosineME1936326802-1.829283.0906
GUANOSINE (CAS# 118-00-3); (M+NA)+GuanosineME1936336802-1.884283.0936
HIPPURATE (CAS# 495-69-2); (M+H)+Hippuric acidME193638464-4.853179.0598
HIPPURATE (CAS# 495-69-2); (M+NA)+Hippuric acidME193639464-4.862179.0596
HISTAMINE (CAS# 51-45-6); (M+H)+HistamineME193640774-0.634111.0791
HOMOCYSTINE (CAS# 462-10-2); (M+NA)+HomocystineME19364110010-0.57268.053
HOMOGENTISATE (CAS# 451-13-8); (M+NA)+Homogentisic acidME193642780-2.089168.0436
HOMOSERINE (CAS# 672-15-1); (M+H)+HomoserineME19364312647-0.666119.0585
HOMOSERINE (CAS# 672-15-1); (M+NA)+HomoserineME19364412647-0.64119.0584
HOMOVANILLATE (CAS# 306-08-1); (M+H)+Homovanillic acidME1936451738-5.713182.0585
HYODEOXYCHOLATE (CAS# 83-49-8); (M+NA)+Hyodeoxycholic acidME1936465283820-20.148392.2914
HYPOXANTHINE (CAS# 68-94-0); (M+NA)+HypoxanthineME193647790-0.885136.0386
IBUPROFEN (CAS# 15687-27-1); (M+NA)+IbuprofenME193648114864-18.901206.1309
IMIDAZOLE-4-ACETATE (CAS# 645-65-8); (M+H)+Imidazoleacetic acidME19364996215-0.682126.0431
INDOLE-3-ACETALDEHYDE (CAS# 2591-98-2); (M+H)+IndoleacetaldehydeME193651800-7.515159.0697
INDOLE-3-ACETATE (CAS# 87-51-4); (M+H)+Indoleacetic acidME193652802-8.386175.0635
INDOLE-3-ETHANOL (CAS# 526-55-6); (M+H)+TryptophanolME19365310685-8.458161.0838
INDOLE-3-ETHANOL (CAS# 526-55-6); (M+H)+[-H2O]TryptophanolME19365410685-8.461161.0856
INDOLE-3-PYRUVIC ACID (CAS# 392-12-1); (M+NA)+Indolepyruvic acidME193655803-10.548203.0597
INDOLE (CAS# 120-72-9); (2M+NA)+IndoleME193650798-6.518117.058
INOSINE 5'-PHOSPHATE (CAS# 131-99-7); (M+H)+IMPME1936588582-0.801348.0474
INOSINE (CAS# 58-63-9); (M+H)+InosineME1936566021-1.774268.0828
INOSINE (CAS# 58-63-9); (M+NA)+InosineME1936576021-1.842268.0801
ISOLEUCINE (CAS# 73-32-5); (M+H)+IsoleucineME1936596306-1.733131.0953
ISOLEUCINE (CAS# 73-32-5); (M+NA)+IsoleucineME1936606306-1.576131.0958
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M+H)+Jasmonic acidME1936615281166-13.161210.1259
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M+NA)+Jasmonic acidME1936625281166-13.164210.1262
KYNURENINE (CAS# 343-65-7); (M+H)+KynurenineME193663161166-2.413208.0862
L-[15N]ANTHRANILIC ACID [ISTD] (CAS# ); (M+H)+2-Aminobenzoic acidME193679227-5.381138.0457
LACTOSE (CAS# 63-42-3); (M+K)+LactoseME193680440995-0.666342.1189
LACTOSE (CAS# 63-42-3); (M+NA)+LactoseME193681440995-0.678342.1182
L-ALLOTHREONINE (CAS# 28954-12-3); (M+H)+AllothreonineME19366499289-0.666119.0585
L-ALLOTHREONINE (CAS# 28954-12-3); (M+H)+[-H2O]AllothreonineME19366599289-0.656119.058
LANOSTEROL (CAS# 79-63-0); (M+NA)+LanosterolME193682246983-23.641426.3867
LANTHIONINE (CAS# 3183-08-2); (M+H)+LanthionineME193683102950-0.884208.0535
LANTHIONINE (CAS# 3183-08-2); (M+NA)+LanthionineME193684102950-0.836208.0527
L-ARGININE (CAS# 74-79-3); (M+H)+ArginineME1936666322-0.65174.1103
L-ARGININE (CAS# 74-79-3); (M+NA)+ArginineME1936676322-0.622174.11
L-ARGININE-(GUANIDINEIMINO-15N2) [ISTD] (CAS# ); (...-ME19366816217579-0.662176.1055
LAUROYLCARNITINE (CAS# 25518-54-1); (M+H)+CAR 12:0ME193685168381-17.887343.272
L-CARNITINE (CAS# 541-15-1); (M+H)+CarnitineME19366910917-0.646161.1062
LEUCINE (CAS# 328-39-2); (M+H)+LeucineME1936866106-1.747131.0953
LEUCINE (CAS# 328-39-2); (M+NA)+LeucineME1936876106-1.58131.0945
LEUKOTRIENE B4 (CAS# 71160-24-2); (M+H)+LTB4ME1936885280492-20.807336.2307
LEUKOTRIENE B4 (CAS# 71160-24-2); (M+H)+[-H2O]LTB4ME1936895280492-20.748336.2298
LEUKOTRIENE B4 (CAS# 71160-24-2); (M+NA)+LTB4ME1936905280492-20.631336.2286
L-GULONATE (CAS# 6322-07-2); (M+H)+[-H2O]Gulonic acidME193670152304-0.973196.0591
L-GULONATE (CAS# 6322-07-2); (M+NA)+Gulonic acidME193671152304-0.778196.0564
L-GULONATE (CAS# 6322-07-2); (M+NA)+[-H2O]Gulonic acidME193672152304-0.828196.0595
L-HISTIDINE (CAS# 71-00-1); (M+H)+HistidineME1936736274-0.641155.069
L-HISTIDINE (CAS# 71-00-1); (M+NA)+HistidineME1936746274-0.645155.0683
L-HISTIDINOL (CAS# 4836-52-6); (M+H)+L-HistidinolME193675165271-0.548141.0891
LINOLEATE (CAS# 60-33-3); (M+NA)+Linoleic acidME1936915280450-18.653280.2394
LIPOAMIDE (CAS# 940-69-2); (M+NA)+LipoamideME193692863-10.27205.0613
LIPOATE (CAS# 62-46-4); (M+NA)+Lipoic acidME1936936112-13.496206.044
LITHOCHOLIC ACID (CAS# 434-13-9); (M+NA)+Lithocholic acidME1936949903-22.332376.3
L-ORNITHINE (CAS# 70-26-8); (M+H)+OrnithineME1936766262-0.556132.0894
L-RHAMNOSE (CAS# 10030-85-0); (2M+NA)+RhamnoseME19367725310-0.637164.0694
L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M+H)+TryptophanME19367816217285-3.64206.0851
LUMICHROME (CAS# 1086-80-2); (M+H)+LumichromeME1936955326566-10.921242.0813
LUMICHROME (CAS# 1086-80-2); (M+NA)+LumichromeME1936965326566-10.921242.0811
LYSINE (CAS# 56-87-1); (M+H)+LysineME1936975962-0.561146.1053
LYSINE (CAS# 56-87-1); (M+NA)+LysineME1936985962-0.589146.1052
MALEAMATE (CAS# 557-24-4); (M+H)+Maleamic acidME1937005280451-0.772115.0268
MALEAMATE (CAS# 557-24-4); (M+NA)+Maleamic acidME1937015280451-0.644115.0277
MALTOSE (CAS# 69-79-4); (M+NA)+MaltoseME193702439186-0.676342.1182
MANDELIC ACID (CAS# 611-71-2); (M+NA)+Mandelic acidME19370311914-5.648152.047
MANNITOL (CAS# 69-65-8); (M+H)+MannitolME1937046251-0.864182.0782
MANNITOL (CAS# 69-65-8); (M+H)+[-H2O]MannitolME1937056251-0.603182.0784
MANNITOL (CAS# 69-65-8); (M+NA)+MannitolME1937066251-0.655182.0807
MANNOSE-6-PHOSPHATE (CAS# 3672-15-9); (M+H)+[-H2O]Mannose 6-phosphateME193707439198-0.664260.0287
MANNOSE-6-PHOSPHATE (CAS# 3672-15-9); (M+NA)+Mannose 6-phosphateME193708439198-0.662260.0304
MELANIN (CAS# 8049-97-6); (M+H)+MelaninME1937096325610-1.253318.0671
MELATONIN (CAS# 73-31-4); (M+H)+MelatoninME193710896-8.989232.12
MELIBIOSE (CAS# 585-99-9); (M+K)+MelibioseME193711440658-0.666342.1189
MELIBIOSE (CAS# 585-99-9); (M+NA)+MelibioseME193712440658-0.677342.1196
METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+NA)...Methyl beta-D-galactosideME19371394214-0.689194.0809
METHYLGUANIDINE (CAS# 471-29-4); (M+H)+MethylguanidineME19371510111-0.69973.064
METHYL JASMONATE (CAS# 1211-29-6); (M+NA)+Methyl jasmonateME1937145281929-15.958224.1411
METHYLMALONATE (CAS# 516-05-2); (M+NA)+Methylmalonic acidME193716487-1.332118.0275
MEVALONIC ACID (CAS# 674-26-0); (M+NA)+[-H2O]Mevalonic acidME193717439230-1.676148.0745
M-HYDROXYMANDELIC ACID (CAS# 17119-15-2); (M+NA)+3-Hydroxymandelic acidME19369986957-2.09168.041
MONO-METHYL GLUTARATE (CAS# 1501-27-5); (M+H)+[-H2...Monomethyl glutaric acidME19371873917-3.82146.0592
MONO-METHYL GLUTARATE (CAS# 1501-27-5); (M+NA)+Monomethyl glutaric acidME19371973917-3.57146.059
MYO-INOSITOL (CAS# 87-89-8); (M+NA)+Myo-inositolME193720892-0.648180.065
N6-(DELTA2-ISOPENTENYL)-ADENINE (CAS# 2365-40-4); ...N6-IsopentenyladenineME19376892180-7.844203.1174
N6-(DELTA2-ISOPENTENYL)-ADENINE (CAS# 2365-40-4); ...N6-IsopentenyladenineME19376992180-7.867203.1184
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (2M+NA)+N-AcetylglucosamineME193722446101-0.716221.0921
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+H)+N-AcetylglucosamineME193723446101-0.719221.092
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+H)+[-H...N-AcetylglucosamineME193724446101-0.776221.0908
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+NA)+N-AcetylglucosamineME193725446101-0.712221.0921
N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+H)+N-Acetylglutamic acidME193730185-1.327189.0655
N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+H)+...N-Acetylglutamic acidME193731185-1.337189.0642
N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+NA)...N-Acetylglutamic acidME193732185-1.524189.0623
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+H)+N-AcetylmethionineME193733448580-4.105191.0626
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+H)+[-H...N-AcetylmethionineME193734448580-4.076191.0611
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+NA)+N-AcetylmethionineME193735448580-4.102191.0625
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+H)+N-AcetylserineME19373665249-0.851147.0529
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+H)+[-H2O]N-AcetylserineME19373765249-0.666147.0536
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+NA)+N-AcetylserineME19373865249-0.642147.0523
N-ACETYL-D-MANNOSAMINE (CAS# 3615-17-6); (M+H)+N-Acetyl-mannosamineME19372653477792-0.719221.092
N-ACETYL-D-MANNOSAMINE (CAS# 3615-17-6); (M+NA)+N-Acetyl-mannosamineME19372753477792-0.712221.0921
N-ACETYL-D-TRYPTOPHAN (CAS# 2280-01-5); (M+H)+N-Acetyl-D-tryptophanME193728439917-7.917246.1016
N-ACETYL-D-TRYPTOPHAN (CAS# 2280-01-5); (M+NA)+N-Acetyl-D-tryptophanME193729439917-7.98246.1025
N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+H)+N-AcetylgalactosamineME19374835717-0.719221.092
N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+H)+[-H2...N-AcetylgalactosamineME19374935717-0.776221.0908
N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+NA)+N-AcetylgalactosamineME19375035717-0.712221.0921
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M+H)+[-H2O]N-AcetylalanineME19373988064-1.232131.0583
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M+NA)+N-AcetylalanineME19374088064-1.319131.0575
N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M+H)+[-...N-Acetylaspartic acidME19374165065-0.848175.0483
N-ACETYL-L-CYSTEINE (CAS# 616-91-1); (M+NA)+N-AcetylcysteineME19374212035-3.211324.0447
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (2M+NA)+N-AcetylleucineME19374375619-7.17173.1062
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M+H)+N-AcetylleucineME19374475619-7.201173.1055
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M+NA)+N-AcetylleucineME19374575619-7.21173.1058
N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M+H)+N-AcetylphenylalanineME19374674839-7.749207.0901
N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M+NA)+N-AcetylphenylalanineME19374774839-7.751207.0904
N-ACETYLNEURAMINATE (CAS# 131-48-6); (M+H)+N-Acetylneuraminic acidME193751439197-0.578309.1068
N-ACETYLNEURAMINATE (CAS# 131-48-6); (M+NA)+N-Acetylneuraminic acidME193752439197-0.677309.1071
N-ACETYLSEROTONIN (CAS# 1210-83-9); (2M+H)+N-AcetylserotoninME193753903-4.676218.1034
N-ACETYLSEROTONIN (CAS# 1210-83-9); (2M+NA)+N-AcetylserotoninME193754903-5.002218.1037
NAD (CAS# 53-84-9); (M+2H)+2NADME1937705893-1.05663.113
NAD (CAS# 53-84-9); (M+H)+NADME1937715893-1.029663.1129
NAD (CAS# 53-84-9); (M+NA)+NADME1937725893-1.029663.1144
N-ALPHA-ACETYL-L-ASPARAGINE (CAS# 4033-40-3); (M+H...N-AcetylasparagineME19375599715-0.656174.0644
N-ALPHA-ACETYL-L-LYSINE (CAS# 1946-82-3); (M+H)+N(2)-AcetyllysineME19375692907-0.981188.1165
NAPROXEN (CAS# 22204-53-1); (M+H)+NaproxenME193773156391-15.753230.0945
NAPROXEN (CAS# 22204-53-1); (M+NA)+NaproxenME193774156391-15.76230.095
N-BOC-D-GLUCOSAMINE (CAS# 75251-80-8); (2M+NA)+GlucosamineME19375713998612-5.072279.1334
N-CYCLOHEXYLFORMAMIDE (CAS# 766-93-8); (M+H)+N-CyclohexylformamideME19375813017-7.96127.0995
N-CYCLOHEXYLFORMAMIDE (CAS# 766-93-8); (M+NA)+N-CyclohexylformamideME19375913017-7.958127.0986
N-ETHYLMALEIMIDE (CAS# 128-53-0); (M+H)+N-EthylmaleimideME1937604362-3.551125.0486
NICOTINAMIDE (CAS# 98-92-0); (M+H)+NiacinamideME193775936-1.184122.0489
NICOTINAMIDE MONONUCLEOTIDE (CAS# 1094-61-7); (M+N...Nicotinamide ribotideME19377614180-0.543334.0559
NICOTINE (CAS# 54-11-5); (M+H)+NicotineME193777157672-1.465162.1165
NICOTINIC ACID ADENINE DINUCLEOTIDE PHOSPHATE (CAS...NAADPME19377852942300-1.562744.0668
NICOTINIC ACID ADENINE DINUCLEOTIDE PHOSPHATE (CAS...NAADPME19377952942300-1.393744.0529
N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M+H)+N-Methyl-D-aspartic acidME1937614376-0.709147.0529
N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M+NA)+N-Methyl-D-aspartic acidME1937624376-0.642147.0523
N-METHYL-L-GLUTAMATE (CAS# 6753-62-4); (M+H)+[-H2O...N-Methyl-glutamic acidME193763439377-2.054161.0691
N-METHYLNICOTINATE (CAS# 535-83-1); (M+H)+TrigonellineME1937645570-0.726137.0465
N-METHYLTRYPTAMINE (CAS# 61-49-4); (M+NA)+N-MethyltryptamineME1937656088-4174.1162
N-OLEOYLGLYCINE (CAS# 2601-90-3); (M+H)+N-Oleoyl glycineME1937666436908-22.763339.2766
N-OLEOYLGLYCINE (CAS# 2601-90-3); (M+NA)+N-Oleoyl glycineME1937676436908-22.557339.2785
NONANOATE (CAS# 112-05-0); (M+NA)+Pelargonic acidME1937808158-13.152158.1316
NORADRENALINE (CAS# 51-41-2); (M+H)+Xi-NorepinephrineME193781951-0.899169.075
NORADRENALINE (CAS# 51-41-2); (M+H)+[-H2O]Xi-NorepinephrineME193782951-0.823169.0724
NORLEUCINE (CAS# 327-57-1); (M+H)+NorleucineME19378321236-1.739131.0953
NORMETANEPHRINE (CAS# 0); (M+H)+NormetanephrineME193784688100-2.595183.0898
NORMETANEPHRINE (CAS# 0); (M+H)+[-H2O]NormetanephrineME193785688100-2.519183.0906
NORVALINE (CAS# 6600-40-4); M+[-CO2H]NorvalineME19378765098-0.615117.0797
NORVALINE (CAS# 6600-40-4); (M+H)+NorvalineME19378665098-0.82117.0797
N(PAI)-METHYL-L-HISTIDINE (CAS# 332-80-9); (M+H)+3-MethylhistidineME19372164969-0.685169.084
O-ACETYLCARNITINE (CAS# 461-77-8); (M+H)+CAR 2:0ME19378818230-0.988203.1157
OLEAMIDE (CAS# 301-02-0); (M+H)+OleamideME1937965283387-22.632281.2712
OLEAMIDE (CAS# 301-02-0); (M+NA)+OleamideME1937975283387-22.626281.2713
OLEIC ACID (CAS# 112-80-1); (M+H)+Oleic acidME193798445639-22.504282.2542
OLEIC ACID (CAS# 112-80-1); (M+NA)+Oleic acidME193799445639-22.521282.2563
O-PHOSPHO-DL-SERINE (CAS# 17885-08-4); (2M+H)+DL-O-PhosphoserineME193789106-0.737185.0074
O-PHOSPHO-DL-SERINE (CAS# 17885-08-4); (2M+NA)+DL-O-PhosphoserineME193790106-1.003185.0093
O-PHOSPHO-DL-SERINE (CAS# 17885-08-4); (M+H)+DL-O-PhosphoserineME193791106-0.644185.0103
O-PHOSPHO-DL-SERINE (CAS# 17885-08-4); (M+NA)+DL-O-PhosphoserineME193792106-0.637185.0098
O-PHOSPHOSERINE (CAS# 407-41-0); (M+H)+DL-O-PhosphoserineME19379368841-0.643185.0103
O-PHOSPHOSERINE (CAS# 407-41-0); (M+NA)+DL-O-PhosphoserineME19379468841-0.637185.0084
OPHTHALMIC ACID (CAS# 495-27-2); (M+H)+Ophthalmic acidME1938007018721-1.322289.1294
OROTATE (CAS# 65-86-1); (M+H)+Orotic acidME193801967-1.001156.0173
O-SUCCINYL-L-HOMOSERINE (CAS# 1492-23-5); (M+H)+o-SuccinylhomoserineME193795439406-0.647219.075
OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M+2H)+2Oxidized glutathioneME19380265359-1.413612.1581
OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M+H)+Oxidized glutathioneME19380365359-1.362612.1537
PALATINOSE (CAS# 343336-76-5); (M+NA)+PalatinoseME193804439559-0.678342.1182
PALMITOYLCARNITINE (CAS# 2364-67-2); (M+H)+CAR 16:0ME19380511953816-21.335399.3352
PALMITOYLCARNITINE (CAS# 2364-67-2); (M+NA)+CAR 16:0ME19380611953816-21.337399.3355
PANTOTHENATE (CAS# 79-83-4); (M+H)+Pantothenic acidME1938076613-3.294219.1119
PANTOTHENATE (CAS# 79-83-4); (M+NA)+Pantothenic acidME1938086613-3.296219.1123
PARAXANTHINE (CAS# 611-59-6); (M+NA)+ParaxanthineME1938094687-4.499180.0656
PHENETHYLAMINE (CAS# 64-04-0); (M+H)+PhenylethylamineME1938101001-2.857121.0898
PHENYL ACETATE (CAS# 122-79-2); (M+H)+Phenyl acetateME193811999-3.902136.0521
PHENYLACETIC ACID (CAS# 103-82-2); (M+H)+Phenylacetic acidME193812999-3.902136.0521
PHENYLALANINE (CAS# 63-91-2); (M+H)+PhenylalanineME1938136140-2.514165.0798
PHENYLALANINE (CAS# 63-91-2); (M+NA)+PhenylalanineME1938146140-2.503165.0797
PHENYLEPHRINE (CAS# 59-42-7); (M+H)+PhenylephrineME1938156041-1.101167.095
PHENYLETHANOLAMINE (CAS# 7568-93-6); (M+H)+2-HydroxyphenethylamineME1938161000-1.501137.0838
PHENYLETHANOLAMINE (CAS# 7568-93-6); (M+H)+[-H2O]2-HydroxyphenethylamineME1938171000-2.108137.0832
PHENYLHYDRAZINE (CAS# 100-63-0); (M+H)+PhenylhydrazineME1938187516-3.487108.0688
PHTHALATE (CAS# 88-99-3); (M+H)+Phthalic acidME1938191017-4.924166.0262
PHTHALATE (CAS# 88-99-3); (M+NA)+Phthalic acidME1938201017-4.929166.0278
PINITOL (CAS# 10284-63-6); (M+NA)+PinitolME193821164619-0.689194.0809
PIPECOLATE (CAS# 535-75-1); (M+H)+Pipecolic acidME193822849-0.634129.0788
PIPECOLATE (CAS# 535-75-1); (M+NA)+Pipecolic acidME193823849-0.777129.0781
PREGNENOLONE (CAS# 145-13-1); (M+H)+[-H2O]PregnenoloneME1938248955-20.527316.2386
PROCOLLAGEN 5-HYDROXY-L-LYSINE (CAS# 1190-94-9); (...-ME19382583228-0.559162.1001
PROCOLLAGEN 5-HYDROXY-L-LYSINE (CAS# 1190-94-9); (...-ME19382683228-0.652162.1007
PROGESTERONE (CAS# 57-83-0); (M+H)+ProgesteroneME1938275994-19.827314.2232
PROLINE (CAS# 147-85-3); (M+H)+ProlineME193828145742-0.592115.0632
PROLINE (CAS# 147-85-3); (M+NA)+ProlineME193829145742-0.637115.0644
PROSTAGLANDIN E2 (CAS# 363-24-6); (M+H)+PGE2ME1938305280360-16.756352.2233
PROSTAGLANDIN E2 (CAS# 363-24-6); (M+H)+[-H2O]PGE2ME1938315280360-16.846352.2226
PROSTAGLANDIN E2 (CAS# 363-24-6); (M+NA)+PGE2ME1938325280360-16.763352.2222
PROTOPORPHYRIN (CAS# 553-12-8); (M+H)+ProtoporphyrinME1938334971-22.859562.2614
PTERIN (CAS# 2236-60-4); (M+H)+PterinME19383473000-1.737163.0502
PUTRESCINE (CAS# 110-60-1); (M+H)+PutrescineME1938351045-0.51488.1002
PUTRESCINE (CAS# 110-60-1); (M+NA)+PutrescineME1938361045-0.56688.0993
PYRIDOXAL (CAS# 66-72-8); (M+H)+PyridoxalME1938371050-1.162167.0571
PYRIDOXAMINE (CAS# 85-87-0); (M+H)+PyridoxamineME1938381052-0.679168.0882
PYRIDOXINE (CAS# 65-23-6); (M+H)+PyridoxineME1938391054-1.12169.075
QUINATE (CAS# 77-95-2); (M+NA)+Quinic acidME1938406508-1.087192.0627
QUINOLIN-2-OL (CAS# 59-31-4); (M+H)+2-HydroxyquinolineME1938416038-7.685145.0534
QUINOLIN-2-OL (CAS# 59-31-4); (M+NA)+2-HydroxyquinolineME1938426038-7.686145.0538
RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+H)+MG 14:0ME19384379050-22.06302.2444
RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+H)+...MG 14:0ME19384479050-22.049302.2447
RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+NA)...MG 14:0ME19384579050-22.115302.2465
RAFFINOSE (CAS# 512-69-6); (M+K)+RaffinoseME193846439242-0.618504.1736
RAFFINOSE (CAS# 512-69-6); (M+NA)+RaffinoseME193847439242-0.721504.172
RIBITOL (CAS# 488-81-3); (M+H)+RibitolME19384894154-0.778152.068
RIBOFLAVIN (CAS# 83-88-5); (2M+NA)+RiboflavinME193849493570-7.619376.1384
RIBOFLAVIN (CAS# 83-88-5); (M+H)+RiboflavinME193850493570-7.619376.1393
RIBOFLAVIN (CAS# 83-88-5); (M+NA)+RiboflavinME193851493570-7.617376.1402
RIBOSE 5-PHOSPHATE (CAS# 4300-28-1); (M+NA)+Ribose 5-phosphateME193853439167-0.675230.0205
RIBOSE (CAS# 50-69-1); (M+NA)+RiboseME1938525779-0.74150.0536
ROSMARINIC ACID (CAS# 20283-92-5); (2M+NA)+Rosmarinic acidME193854639655-10.297360.0854
(S)-2-AMINO-3-(3-HYDOXY-4-OXO-4H-PYRIDIN-1-YL)PROP...MimosineME193361440473-0.949198.063
(S)-2-AMINO-3-(3-HYDOXY-4-OXO-4H-PYRIDIN-1-YL)PROP...MimosineME193362440473-0.656198.063
S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M+H)+S-AdenosylhomocysteineME193855439155-1.493384.1226
S-ADENOSYLMETHIONINE (CAS# 29908-03-0); (M+H)+S-AdenosylmethionineME19385634755-0.678398.1365
SALICYLURIC ACID (CAS# 487-54-7); (M+NA)+Salicyluric acidME19385710253-6.367195.0529
(-)-SALSOLINOL (CAS# 27740-96-1); (M+H)+SalsolinolME1933607157331-1.395179.0958
SARCOSINE (CAS# 107-97-1); (M+H)+SarcosineME1938581088-0.67689.0478
(S)-DIHYDROOROTATE (CAS# 5988-19-2); (M+H)+4,5-Dihydroorotic acidME1933631149667-0.897158.0322
SELENOCYSTAMINE (CAS# 2697-61-2); (M+H)+SelenocystamineME193859115119-0.52247.9306
SERINE (CAS# 56-45-1); (M+H)+SerineME193860617-1.002105.0432
SEROTONIN (CAS# 50-67-9); (M+H)+SerotoninME1938615202-1.742176.0963
SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+...sn-Glycero-3-phosphocholineME193862439285-0.649257.1051
SPERMIDINE (CAS# 124-20-9); (M+H)+SpermidineME1938631102-0.521145.1578
SPERMIDINE (CAS# 124-20-9); (M+NA)+SpermidineME1938641102-0.574145.1578
SPERMINE (CAS# 71-44-3); (M+H)+SpermineME1938651103-0.572202.2147
SPHINGANINE (CAS# 764-22-7); (M+H)+SphinganineME193866644260-20.806301.2958
SPHINGOSINE (CAS# 123-78-4); (M+H)+SphingosineME1938675280335-20.442299.2804
SPHINGOSINE (CAS# 123-78-4); (M+H)+[-H2O]SphingosineME1938685280335-20.49299.2811
STACHYOSE (CAS# 54261-98-2); (M+K)+StachyoseME193869439531-0.749666.2158
STACHYOSE (CAS# 54261-98-2); (M+NA)+StachyoseME193870439531-0.726666.2271
SUBERIC ACID (CAS# 505-48-6); (M+H)+[-H2O]Suberic acidME19387110457-8.243174.088
SUBERIC ACID (CAS# 505-48-6); (M+NA)+Suberic acidME19387210457-8.277174.0909
SUCROSE (CAS# 57-50-1); (M+NA)+SucroseME1938735988-0.676342.1182
TAURINE (CAS# 107-35-7); (M+K)+TaurineME1938741123-0.362125.0138
TAUROCHOLATE (CAS# 81-24-3); (M+H)+[-H2O]Taurocholic acidME1938756675-18.429515.293
TAUROCHOLATE (CAS# 81-24-3); (M+NA)+Taurocholic acidME1938766675-18.32515.2905
TAUROLITHOCHOLATE (CAS# 516-90-5); (2M+H)+Taurolithocholic acidME193877439763-22.036483.3016
TAUROLITHOCHOLATE (CAS# 516-90-5); (M+H)+Taurolithocholic acidME193878439763-21.84483.3047
TAUROLITHOCHOLATE (CAS# 516-90-5); (M+H)+[-H2O]Taurolithocholic acidME193879439763-21.746483.2992
TAUROLITHOCHOLATE (CAS# 516-90-5); (M+NA)+Taurolithocholic acidME193880439763-21.873483.3066
THEOBROMINE (CAS# 83-67-0); (M+NA)+TheobromineME1938815429-3.609180.0649
THEOPHYLLINE (CAS# 58-55-9); (M+NA)+TheophyllineME1938822153-4.499180.0656
THIAMIN (CAS# 59-43-8); M+ThiamineME1938831130-0.662265.1131
THIAMIN (CAS# 59-43-8); M+[-C6H9NOS]ThiamineME1938841130-0.674265.1113
THIAMIN MONOPHOSPHATE (CAS# 532-40-1); (M+H)+Thiamine monophosphateME1938853382778-0.665344.0719
THREONINE (CAS# 72-19-5); (M+H)+[-H2O]ThreonineME1938866288-0.849119.0582
THROMBOXANE B2 (CAS# 54397-85-2); (M+H)+[-H2O]TXB2ME1938875283137-16.756370.2337
THROMBOXANE B2 (CAS# 54397-85-2); (M+NA)+TXB2ME1938885283137-16.73370.2341
THYMIDINE (CAS# 50-89-5); (M+H)+ThymidineME1938895789-2.455242.0924
THYMINE (CAS# 65-71-4); (M+H)+ThymineME1938901135-1.755126.0422
THYROTROPIN RELEASING HORMONE (CAS# 24305-27-9); (...Thyrotropin releasing hormoneME193891638678-1.401362.168
THYROTROPIN RELEASING HORMONE (CAS# 24305-27-9); (...Thyrotropin releasing hormoneME193892638678-1.523362.1717
THYROXINE (CAS# 51-48-9); (M+H)+ThyroxineME1938935819-16.18776.6864
TRANS-3'-HYDROXYCOTININE (CAS# 34834-67-8); (M+H)+trans-3-HydroxycotinineME193894107963-0.967192.091
TRANS-4-HYDROXYPROLINE (CAS# 51-35-4); (M+H)+trans-4-HydroxyprolineME1938955810-0.847131.0587
TRICARBALLYLIC ACID (CAS# 99-14-9); (M+H)+[-H2O]1,2,3-Propanetricarboxylic acidME19389614925-1.105176.0327
TRIIODOTHYRONINE (CAS# 6893-02-3); (M+H)+LiothyronineME1938975920-14.076650.7941
TRIMETHYLAMINE (CAS# 75-50-3); (M+H)+TrimethylamineME1938981146-0.68859.0739
TRYPTAMINE (CAS# 61-54-1); (M+H)+TryptamineME1938991150-3.769160.1007
TRYPTOPHAN (CAS# 73-22-3); (M+H)+TryptophanME1939006305-3.615204.0906
TRYPTOPHAN (CAS# 73-22-3); (M+NA)+TryptophanME1939016305-3.628204.0915
TYRAMINE (CAS# 51-67-2); (M+H)+TyramineME1939025610-1.37137.0851
TYROSINE (CAS# 60-18-4); (M+H)+TyrosineME1939036057-1.416181.0755
TYROSINE (CAS# 60-18-4); (M+NA)+TyrosineME1939046057-1.31181.0742
UDP-N-ACETYL-D-GALACTOSAMINE (CAS# ); (M+H)+[-H2O]UDP-N-acetylgalactosamineME19390523724461-1.224607.0848
UDP-N-ACETYL-D-GALACTOSAMINE (CAS# ); (M+NA)+UDP-N-acetylgalactosamineME19390623724461-1.009607.087
UDP-N-ACETYL-D-GLUCOSAMINE (CAS# 528-04-1); (M+H)+UDP-N-acetylglucosamineME193907445675-1.327607.0785
UDP-N-ACETYL-D-GLUCOSAMINE (CAS# 528-04-1); (M+NA)...UDP-N-acetylglucosamineME193908445675-1.308607.0864
URACIL 5-CARBOXYLATE (CAS# 23945-44-0); (M+H)+Uracil-5-carboxylic acidME1939096971263-1.001156.0173
URACIL 5-CARBOXYLATE (CAS# 23945-44-0); (M+H)+[-H2...Uracil-5-carboxylic acidME1939106971263-0.982156.0162
URIDINE-5-MONOPHOSPHATE (CAS# 58-97-9); (2M+H)+UMPME1939116030-0.757324.0378
URIDINE-5-MONOPHOSPHATE (CAS# 58-97-9); (2M+NA)+UMPME1939126030-0.904324.0383
URIDINE-5-MONOPHOSPHATE (CAS# 58-97-9); (M+H)+UMPME1939136030-0.91324.0378
UROCANATE (CAS# 104-98-3); (M+H)+Urocanic acidME193914736715-1.076138.0439
URSODIOL (CAS# 128-13-2); (M+NA)+Ursodeoxycholic acidME19391531401-21.698392.2922
VALINE (CAS# 72-18-4); (M+H)+ValineME1939166287-0.8117.0797
VALINE (CAS# 72-18-4); (M+NA)+ValineME1939176287-0.74117.0783
XANTHINE (CAS# 69-89-6); (M+H)+XanthineME1939181188-1.279152.0348
XANTHOSINE 5'-PHOSPHATE (CAS# 523-98-8); (M+H)+XMPME19392173323-1.244364.0402
XANTHOSINE (CAS# 146-80-5); (M+H)+XanthosineME19391964959-2.303284.0783
XANTHOSINE (CAS# 146-80-5); (M+NA)+XanthosineME19392064959-2.416284.077
XANTHURENIC ACID (CAS# 59-00-7); (M+H)+Xanthurenic acidME1939225699-4.64205.0373
ZEATIN [ISTD] (CAS# 13114-27-7); (M+H)+trans-ZeatinME193923449093-3.905219.1125


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