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Analysis: Reversed phase NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
10-HYDROXYDECANOATE (CAS# 1679-53-4); (M-H)-10-Hydroxydecanoic acidME1929296991989-13.628-
11-DEOXYCORTISOL (CAS# 152-58-9); (M+HCOO)-11-DeoxycortisolME192930440707-15.459-
16:0-18:0 PC (CAS# 59403-51-9); (M+CL)-PC 16:0_18:0ME19293318631368-25.648-
16:0-18:0 PC (CAS# 59403-51-9); (M+HCOO)-PC 16:0_18:0ME19293418631368-25.629-
16:0 LYSO PC (CAS# 17364-16-8); (M+CL)-LPC 16:0ME192931460602-22.246-
16:0 LYSO PC (CAS# 17364-16-8); (M+HCOO)-LPC 16:0ME192932460602-22.232-
18:0 LYSO-PE (CAS# 69747-55-3); (M-H)-LPE 18:0ME1929359547068-22.646-
1-AMINOCYCLOPROPANE-1-CARBOXYLATE (CAS# 22059-21-8...1-Aminocyclopropanecarboxylic acidME1929245460234-0.829-
1-METHYLADENOSINE (CAS# 15763-06-1); (M+CL)-1-MethyladenosineME19292527476-3.318-
1-METHYLADENOSINE (CAS# 15763-06-1); (M+HCOO)-1-MethyladenosineME19292627476-3.154-
1-METHYLURIC ACID (CAS# 708-79-2); (M-H)-1-Methyluric acidME19292769726-2.239-
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+HCOO)-MG 18:1ME1929285283468-22.656-
20:0 LYSO PC (CAS# 108341-80-6); (M+CL)-LPC 20:0ME19294824779473-22.717-
20:0 LYSO PC (CAS# 108341-80-6); (M+HCOO)-LPC 20:0ME19294924779473-22.947-
24:0 SM (D18:1/24:0) (CAS# 60037-60-7); (M+HCOO)-SM 18:1;O2/24:0ME19295044260127-28.013-
(2-AMINOETHYL)PHOSPHONATE (CAS# 2041-14-7); (M-H)-CiliatineME192920339-0.817-
2'-DEOXYCYTIDINE 5'-MONOPHOSPHATE (CAS# 1032-65-1)...dCMPME19293613945-0.618-
2'-DEOXYCYTIDINE 5'-MONOPHOSPHATE (CAS# 1032-65-1)...dCMPME19293713945-1.11-
2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+CL)-2-Deoxy-glucoseME192940439268-0.724-
2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+HCOO)-2-Deoxy-glucoseME192941439268-0.737-
2'-DEOXYGUANOSINE (CAS# 961-07-9); (M+CL)-DeoxyguanosineME192938187790-1.779-
2'-DEOXYINOSINE (CAS# 890-38-0); (M-H)-DeoxyinosineME19293965058-2.131-
2-HYDROXY-3-METHYLBUTYRIC ACID (CAS# 4026-18-0); (...2-Hydroxy-3-methylbutyric acidME192942853180-3.559-
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (CAS# 583-91-...2-Hydroxy-4-(methylthio)butanoic acidME19294311427-3.427-
2-HYDROXYBUTYRATE (CAS# ); (M-H)-2-Hydroxybutyric acidME19294411266-1.815-
2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M-H)-2-Methylglutaric acidME19294512046-3.676-
2-METHYLMALEATE (CAS# 498-23-7); (M-H)-Citraconic acidME192946643798-1.972-
2-OXOADIPATE (CAS# 3184-35-8); (M-H)-Oxoadipic acidME19294771-1.264-
3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (2M-H...Hydroxyphenyllactic acidME1929529378-3.566-
3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M-H)...Hydroxyphenyllactic acidME1929539378-3.864-
3-AMINO-4-HYDROXYBENZOIC ACID (CAS# 1571-72-8); (M...3-Amino-4-hydroxybenzoic acidME19295465083-1.42-
3BETA-HYDROXY-5ALPHA-PREGNAN-20-ONE (CAS# 516-55-2...3beta-Hydroxy-5alpha-pregnan-20-oneME19296792787-21.115-
3BETA-HYDROXYANDROST-5-EN-17-ONE 3-SULFATE (CAS# )...Dehydroepiandrosterone sulfateME19296812594-15.653-
3'-CMP (CAS# 63-37-6); (M-H)-3'-CMPME19295166535-0.953-
3-DEHYDROSHIKIMATE (CAS# 2922-42-1); (M-H)-3-DehydroshikimateME192955439774-0.943-
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M-H)...3-Hydroxymethylglutaric acidME1929561662-1.589-
3-HYDROXYBENZOATE (CAS# 99-06-9); (M-H)-3-Hydroxybenzoic acidME1929577420-5.097-
3-HYDROXYPHENYLACETATE (CAS# 621-37-4); (M-H)-Resorcinol monoacetateME19295812122-8.022-
3-HYDROXYPYRUVIC ACID (CAS# 1113-60-6); (M-H)-Hydroxypyruvic acidME192960964-0.979-
3-HYDROXYPYRUVIC ACID (CAS# 1113-60-6); (M+HCOO)-Hydroxypyruvic acidME192959964-0.738-
3-METHOXYTYROSINE (CAS# 4214-13-5); (M-H)-3-MethoxytyrosineME1929619307-1.791-
3-METHYLADIPIC ACID (CAS# 3058-01-3); (M-H)-3-Methyladipic acidME19296212292-5.752-
3-NITRO-L-TYROSINE (CAS# 621-44-3); (M-H)-NitrotyrosineME19296365124-2.529-
3-OXALOMALATE (CAS# 89304-26-7); (M-H)-[-H2O]3-Oxalomalic acidME192964439620-0.828-
3-PHOSPHOGLYCERATE (CAS# ); (M-H)-3-Phosphoglyceric acidME192965439183-0.836-
3-UREIDOPROPIONIC ACID (CAS# 462-88-4); (M-H)-Ureidopropionic acidME192966111-1.036-
4-ACETAMIDOBUTANOATE (CAS# 3025-96-5); (M-H)-4-Acetamidobutanoic acidME19296918189-1.811-
4-ACETAMINOPHEN SULFATE (CAS# 32113-41-0); (M-H)-Paracetamol sulfateME19297083939-2.505-
4-COUMARATE (CAS# 501-98-4); (M-H)-cis-p-Coumaric acidME192971637542-6.986-
4-HYDROXY-2-QUINOLINECARBOXYLIC ACID-KRYNURENIC AC...Kynurenic acidME1929723845-4.968-
4-HYDROXYBENZOATE (CAS# 99-96-7); (M-H)-4-Hydroxybenzoic acidME192973135-4.139-
4-HYDROXYPHENYLACETATE (CAS# 156-38-7); (M-H)-4-Hydroxyphenylacetic acidME192974127-4.988-
4-METHYL-2-OXOPENTANOATE (CAS# 816-66-0); (M-H)-KetoleucineME19297570-4.834-
4-METHYL-2-OXOVALERIC ACID (CAS# 816-66-0); (M-H)-KetoleucineME19297670-4.817-
4-NITROBENZOIC ACID (CAS# 62-23-7); (M-H)-4-Nitrobenzoic acidME192977101532566-8.553-
4-NITROPHENOL (CAS# 100-02-7); (M-H)-4-NitrophenolME192978980-7.121-
4-PYRIDOXATE (CAS# 82-82-6); (M-H)-4-Pyridoxic acidME1929796723-1.926-
4-QUINOLINECARBOXYLIC ACID (CAS# 486-74-8); (M-H)-4-Quinolinecarboxylic acidME19298010243-5.01-
5-AMINOPENTANOATE (CAS# 660-88-8); (M-H)-5-Aminopentanoic acidME192984138-0.811-
5'-DEOXYADENOSINE (CAS# 4754-39-6); (M+HCOO)-5'-DeoxyadenosineME192981439182-2.728-
5'-DEOXYADENOSINE (CAS# 4754-39-6); (M-H)-[-H2O]5'-DeoxyadenosineME192982439182-2.401-
5-HYDROXYINDOLEACETATE (CAS# 54-16-0); (M-H)-5-Hydroxyindoleacetic acidME1929851826-4.142-
5-HYDROXYTRYPTOPHAN (CAS# 4350-09-8); (M-H)-5-Hydroxy-tryptophanME192986439280-1.857-
5-METHYLTETRAHYDROFOLATE (CAS# 134-35-0); (M-H)-5-Methyltetrahydrofolic acidME1929879825434-3.692-
5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+CL)-5'-MethylthioadenosineME192983439176-4.351-
5-OXOPROLINE (CAS# 4042-36-8); (M-H)-Pyroglutamic acidME1929887405-1.215-
6-CARBOXYHEXANOATE (CAS# 111-16-0); (M-H)-Pimelic acidME192989385-5.756-
6-HYDROXYNICOTINATE (CAS# 5006-66-6); (M-H)-6-Hydroxynicotinic acidME19299072924-1.906-
ACETAMINOPHEN (TN TYLENOL) (CAS# 103-90-2); (M-H)-AcetaminophenME1929911983-3.012-
ACETOACETATE (CAS# 541-50-4); (M-H)-Acetoacetic acidME19299296-2.796-
ACETOACETYL-COA (CAS# 1420-36-6); (M-H)-Acetoacetyl-CoAME19299392153-21.448-
ADENINE (CAS# 73-24-5); (M-H)-AdenineME192994190-0.904-
ADENOSINE 5'-MONOPHOSPHATE (CAS# 61-19-8); (2M-H)+AMPME1929976083-1.037-
ADENOSINE 5'-MONOPHOSPHATE (CAS# 61-19-8); (M-H)-AMPME1929986083-1.156-
ADENOSINE 5'-PHOSPHOSULFATE (CAS# 485-84-7); (M-H)...Adenosine phosphosulfateME19299910238-0.626-
ADENOSINE (CAS# 58-61-7); (M+CL)-AdenosineME19299560961-1.765-
ADENOSINE (CAS# 58-61-7); (M+HCOO)-AdenosineME19299660961-1.792-
ADPGLUCOSE (CAS# ); (M-H)-ADP-glucoseME19300116500-0.95-
ADP-RIBOSE (CAS# ); (M-H)-ADP-riboseME19300033576-0.961-
AHBA (CAS# 76045-71-1); (M-H)-3-Amino-5-hydroxybenzoic acidME193002127115-1.42-
ALDOSTERONE (CAS# 52-39-1); (M-H)-AldosteroneME1930035839-12.79-
ALLANTOIN (CAS# 97-59-6); (M-H)-AllantoinME193004439714-0.67-
ALLOSE (CAS# 2595-97-3); (M-H)+[-H2O]AlloseME193005439507-1.606-
ALPHA-D-GALACTOSE 1-PHOSPHATE (CAS# 2255-14-3); (M...Galactose 1-phosphateME193006123912-0.725-
ALPHA-HYDROXYISOBUTYRIC ACID (CAS# 594-61-6); (M-H...2-Hydroxyisobutyric acidME193007440873-1.814-
ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+HCOO)-alpha-Linolenic acidME1930085280934-22.902-
ARABITOL (CAS# 7643-75-6); (M+CL)-ArabitolME19300994154-0.737-
ARABITOL (CAS# 7643-75-6); (M+HCOO)-ArabitolME19301094154-0.71-
ARACHIDIC ACID (CAS# 506-30-9); (M-H)-Arachidic acidME19301110467-23.478-
ARACHIDONATE (CAS# 506-32-1); (M-H)-Arachidonic acidME193012444899-22.763-
ASPARAGINE (CAS# 70-47-3); (M-H)-AsparagineME1930136267-0.879-
ASPARTATE (CAS# 56-84-8); (M-H)-Aspartic acidME1930145960-0.655-
AZELAIC ACID (CAS# 123-99-9); (M-H)-Azelaic acidME1930152266-10.8-
BEHENIC ACID (CAS# 112-85-6); (M-H)-Behenic acidME1930168215-24.142-
BENZALDEHYDE (CAS# 100-52-7); (M+HCOO)-BenzaldehydeME193017240-4.984-
BETA-ALANINE (CAS# 107-95-9); (M-H)-beta-AlanineME193018239-0.641-
BETA-MALTOSE (CAS# 69-79-4); (2M+CL)-[-H2O]MaltoseME193019439186-0.766-
BETA-MALTOSE (CAS# 69-79-4); (2M-H)-[-H2O]MaltoseME193020439186-0.584-
BETA-MALTOSE (CAS# 69-79-4); (M+CL)-MaltoseME193021439186-0.706-
BETA-MALTOSE (CAS# 69-79-4); (M+HCOO)-MaltoseME193022439186-0.737-
BIOTIN (CAS# 58-85-5); (M-H)-BiotinME19302311966127-6.321-
BIS-GAMMA-GLUTAMYLCYSTINE (CAS# 23052-19-9); (M-H)...Bis-gamma-glutamylcystineME19302490657696-0.879-
BOC-ALA-OH (CAS# 15761-38-3); (M-H)--ME19302585082-9.478-
BOC-ASN (CAS# 7536-55-2); (M-H)--ME19302682035-5.4-
BOC-PRO-OH (CAS# 15761-39-4); (M-H)--ME19302785083-11.906-
BOC-SER-OH (CAS# 3262-72-4); (M-H)--ME19302898766-7.02-
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 4...-ME19302946891735-23.318-
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 4...-ME19303046891735-23.061-
CAPRYLIC ACID (CAS# 124-07-2); (M-H)-Caprylic acidME193031379-10.176-
CARNOSINE (CAS# 305-84-0); (M-H)-CarnosineME193032439224-0.6-
CATECHOL (CAS# 120-80-9); (M-H)-PyrocatecholME193033289-2.594-
CELLOBIOSE (CAS# 528-50-7); (M+CL)-CellobioseME193034294-0.706-
CHOLATE (CAS# 81-25-4); (M-H)-Cholic acidME193035221493-20.412-
CHOLESTEROL HYDROGEN SULFATE (CAS# 1256-86-6); (M-...Cholesterol sulfateME19303665076-23.89-
CHOLINE PHOSPHATE (CAS# 107-73-3); (M+HCOO)-Choline phosphateME1930371014-0.779-
CIS-11-EICOSENOIC ACID (CAS# 5561-99-9); (M-H)-cs-Gondoic acidME1930385282768-23.325-
CIS-ACONITATE (CAS# 585-84-2); (M-H)-cis-Aconitic acidME193039643757-1.351-
CIS-VACCENIC ACID (CAS# 506-17-2); (M-H)-cis-Vaccenic acidME1930405282761-22.98-
CIS-ZEATIN (CAS# 1637-39-4); (M+CL)-cis-ZeatinME193041688597-3.93-
CIS-ZEATIN (CAS# 1637-39-4); (M-H)-cis-ZeatinME193042688597-3.93-
CITRAMALATE (CAS# 2306-22-1); (M-H)-Citramalic acidME193043441696-1.438-
CITRATE (CAS# 77-92-9); (M-H)-Citric acidME193044311-1.063-
CITRULLINE (CAS# 372-75-8); (M-H)-CitrullineME1930459750-0.678-
CMP (CAS# 63-37-6); (M-H)-CMPME1930466131-0.953-
CORTICOSTERONE (CAS# 50-22-6); (M+HCOO)-CorticosteroneME1930475753-15.459-
CORTISOL (CAS# 50-23-7); (M+CL)-CortisolME1930485754-13.859-
CORTISOL (CAS# 50-23-7); (M+HCOO)-CortisolME1930495754-13.872-
CORTISONE (CAS# 53-06-5); (M+CL)-CortisoneME193050222786-13.449-
CORTISONE (CAS# 53-06-5); (M+HCOO)-CortisoneME193051222786-13.385-
CREATININE-(GUANIDINO-13C) [ISTD] (CAS# ); (M+CL)--ME19305271309782-0.712-
CYCLOHEPTANECARBOXYLIC ACID (CAS# 1460-16-8); (M+H...Cycloheptanecarboxylic acidME19305315091-10.8-
CYSTATHIONINE (CAS# 56-88-2); (M-H)-CystathionineME193054439258-0.769-
CYSTINE (CAS# 56-89-3); (M-H)-CystineME1930556857538-0.674-
CYTIDINE 5'-DIPHOSPHOCHOLINE (CAS# 987-78-0); (2M-...Cytidine 5'-diphosphocholineME19305813804-0.687-
CYTIDINE 5'-DIPHOSPHOCHOLINE (CAS# 987-78-0); (M+C...Cytidine 5'-diphosphocholineME19305913804-0.894-
CYTIDINE 5'-DIPHOSPHOCHOLINE (CAS# 987-78-0); (M-H...Cytidine 5'-diphosphocholineME19306113804-0.878-
CYTIDINE 5'-DIPHOSPHOCHOLINE (CAS# 987-78-0); (M+H...Cytidine 5'-diphosphocholineME19306013804-0.883-
CYTIDINE (CAS# 65-46-3); (M-H)-CytidineME1930576175-0.732-
CYTIDINE (CAS# 65-46-3); (M+HCOO)-CytidineME1930566175-0.822-
DAMP (CAS# 653-63-4); (M-H)-dAMPME19307312599-1.171-
D-(-)-ARABINOSE (CAS# 10323-20-3); (M+HCOO)-ArabinoseME19306266308-0.696-
DECANOATE (CAS# 334-48-5); (M-H)-Capric acidME1930742969-19.915-
DEHYDROASCORBATE (CAS# 490-83-5); (M+CL)-L-Dehydroascorbic acidME193075210328-0.78-
DEHYDROASCORBATE (CAS# 490-83-5); (M-H)-L-Dehydroascorbic acidME193077210328-0.817-
DEHYDROASCORBATE (CAS# 490-83-5); (M+HCOO)-L-Dehydroascorbic acidME193076210328-0.858-
DEOXYADENOSINE (CAS# 16373-93-6); (M-H)-DeoxyadenosineME19307913730-1.609-
DEOXYADENOSINE (CAS# 16373-93-6); (M+HCOO)-DeoxyadenosineME19307813730-2.101-
DEOXYCHOLIC ACID (CAS# 83-44-3); (M+CL)-Deoxycholic acidME193080222528-21.69-
DEOXYCHOLIC ACID (CAS# 83-44-3); (M-H)-Deoxycholic acidME193081222528-21.753-
DEOXYCYTIDINE (CAS# 951-77-9); (M+CL)-DeoxycytidineME19308213711-0.797-
DEOXYCYTIDINE (CAS# 951-77-9); (M-H)-DeoxycytidineME19308413711-0.682-
DEOXYCYTIDINE (CAS# 951-77-9); (M+HCOO)-DeoxycytidineME19308313711-1.002-
DEOXYURIDINE (CAS# 951-78-0); (M+CL)-DeoxyuridineME19308513712-1.505-
DEOXYURIDINE (CAS# 951-78-0); (M-H)-DeoxyuridineME19308613712-1.611-
D-GALACTOSAMINE (CAS# 7535-00-4); (M+HCOO)-GalactosamineME1930633034366-0.675-
DGDP (CAS# 653-63-4); (M-H)-dGDPME193087439220-1.132-
D-GLUCOSAMINE 6-SULFATE (CAS# 91674-26-9); (M-H)-Glucosamine 6-sulfateME1930643330962-0.694-
D-GLUCOSE 6-PHOSPHATE (CAS# 56-73-5); (M-H)-Glucose 6-phosphateME1930655958-0.741-
DGMP (CAS# 902-04-5); (M-H)-dGMPME1930886994968-1.155-
DIACETYL (CAS# 431-03-8); (M+HCOO)-DiacetylME193089650-2.083-
DIETHYLSTILBESTROL (CAS# 56-53-1); (M-H)-DiethylstilbestrolME193090448537-18.755-
DIHYDROXYMANDELIC ACID (CAS# 775-01-9); (2M-H)-3,4-Dihydroxymandelic acidME19309185782-1.022-
DIHYDROXYMANDELIC ACID (CAS# 775-01-9); (M-H)-3,4-Dihydroxymandelic acidME19309285782-1.032-
D-LYXOSE (CAS# 1114-34-7); (M+CL)-LyxoseME19306665550-0.712-
D-LYXOSE (CAS# 1114-34-7); (M-H)-LyxoseME19306865550-0.678-
D-LYXOSE (CAS# 1114-34-7); (M+HCOO)-LyxoseME19306765550-0.696-
D-MANNOSAMINE (CAS# 14307-02-9); (M+HCOO)--ME1930693034366-0.675-
DOCOSAHEXAENOIC ACID (CAS# 6217-54-5 ); (M-H)-Docosahexaenoic acidME193093445580-22.738-
D-ORNITHINE (CAS# 348-66-3); (M-H)-D-OrnithineME1930706262-0.623-
D-PSICOSE (CAS# 551-68-8); (M+CL)-PsicoseME19307190008-0.685-
D-TAGATOSE (CAS# 87-81-0); (M+CL)-D-TagatoseME19307290008-0.685-
DTDPGLUCOSE (CAS# ); (M-H)-dTDP-glucoseME193094443210-2.223-
DUMP (CAS# 964-26-1); (M-H)-dUMPME19309565063-1.082-
EDTA (CAS# 60-00-4); (M-H)-Edetic acidME1930966049-1.089-
ELAIDIC ACID (CAS# 112-79-8); (M-H)-Elaidic acidME193097637517-22.98-
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+CL)--ME193098115196-19.88-
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+HCOO)...-ME193099115196-19.88-
ERUCIC ACID (CAS# 112-86-7); (M-H)-cis-Erucic acidME1931005281116-23.735-
ETHYLMALONIC ACID (CAS# 601-75-2); (M-H)-Ethylmalonic acidME19310111756-2.643-
FERULATE (CAS# 1135-24-6); (M-H)-trans-Ferulic acidME193102445858-8.138-
FLAVIN ADENINE DINUCLEOTIDE (CAS# 146-14-5); (M-H)...FADME193103643975-6.092-
FOLIC ACID (CAS# 59-30-3); (M-H)-Folic acidME1931046037-5.864-
FRUCTOSE (CAS# 57-48-7); (M+CL)-FructoseME1931055984-0.685-
FRUCTOSE (CAS# 57-48-7); (M+HCOO)-FructoseME1931065984-0.663-
FUMARATE (CAS# 110-17-8); (M-H)-Fumaric acidME193107444972-1.214-
GALACTARATE (CAS# 526-99-8); (M-H)-Galactaric acidME1931083037582-0.82-
GALACTITOL OR DULCITOL (CAS# 608-66-2); (M+CL)-GalactitolME19310911850-0.875-
GALACTURONIC ACID (CAS# 91510-62-2); (M-H)-Galacturonic acidME19311084740-0.656-
GAMMA-BUTYROLACTONE (CAS# 96-48-0); (M+HCOO)-gamma-ButyrolactoneME1931117302-2.087-
GAMMA-L-GLUTAMYL-L-CYSTEINE (CAS# 686-58-8); (M-H)...gamma-GlutamylcysteineME193112123938-0.869-
GAMMA-LINOLENIC ACID (CAS# 506-26-3); (M+HCOO)-gamma-Linolenic acidME1931135280933-22.902-
GDPMANNOSE (CAS# ); (M-H)-GDP-mannoseME19311418396-0.688-
GERANYLGERANYL DIPHOSPHATE (CAS# 6699-20-3); (M-H)...Geranylgeranyl diphosphateME193115447277-23.209-
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (2M-H)--ME1931166466-8.555-
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+CL)--ME1931176466-8.56-
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M-H)--ME1931186466-8.556-
GLUCARIC ACID (CAS# 87-73-0); (M-H)-Glucaric acidME19312033037-0.834-
GLUCARIC ACID (CAS# 87-73-0); (M-H)+[-H2O]Glucaric acidME19311933037-0.774-
GLUCONIC ACID (CAS# 526-95-4); (M-H)-Gluconic acidME19312110690-0.697-
GLUCOSAMINE 6-PHOSPHATE (CAS# 3616-42-0); (M-H)-Glucosamine 6-phosphateME193122439217-0.701-
GLUCOSE 1-PHOSPHATE (CAS# 59-56-3); (M-H)-Glucose 1-phosphateME19312665533-0.733-
GLUCOSE (CAS# 50-99-7); (2M+CL)-[-H2O]GlucoseME1931235793-0.702-
GLUCOSE (CAS# 50-99-7); (2M+HCOO)-[-H2O]GlucoseME1931245793-0.665-
GLUCOSE (CAS# 50-99-7); (M+CL)-GlucoseME1931255793-0.685-
GLUCURONIC ACID (CAS# 6556-12-3); (M+CL)-Glucuronic acidME19312794715-0.699-
GLUCURONIC ACID (CAS# 6556-12-3); (M-H)-Glucuronic acidME19312894715-0.656-
GLUTAMATE (CAS# 56-86-0); (M-H)-Glutamic acidME19312933032-0.663-
GLUTAMINE (CAS# 56-85-9); (M-H)-GlutamineME1931305961-0.659-
GLUTARATE (CAS# 110-94-1); (M-H)-Glutaric acidME193131743-2.088-
GLUTATHIONE (CAS# 27025-41-8); (M-H)-GlutathioneME193132124886-1.427-
GLYCERALDEHYDE (CAS# 367-47-5); (2M-H)-[-H2O]GlyceraldehydeME19313379014-1.565-
GLYCERATE (CAS# 473-81-4); (M-H)-Glyceric acidME193134439194-0.821-
GLYCEROL 2-PHOSPHATE (CAS# ); (2M-H)-sn-Glycero-2-phosphateME1931352526-0.68-
GLYCEROL 2-PHOSPHATE (CAS# ); (M-H)-sn-Glycero-2-phosphateME1931362526-0.779-
GLYCINE (CAS# 56-40-6); (M-H)-GlycineME193137750-0.656-
GLYCOCHOLATE (CAS# 475-31-0); (M-H)-Glycocholic acidME19313810140-18.943-
GLYOXYLATE (CAS# 298-12-4); (M-H)-Glyoxylic acidME193139760-0.821-
GUANINE (CAS# 73-40-5); (M-H)-GuanineME193140764-0.931-
GUANOSINE 5'-DIPHOSPHO-BETA-L-FUCOSE (CAS# 0); (M-...-ME193143451-0.95-
GUANOSINE 5'-PHOSPHATE (CAS# 85-32-5); (2M-H)+GMPME1931446804-0.989-
GUANOSINE 5'-PHOSPHATE (CAS# 85-32-5); (M-H)-GMPME1931456804-1.091-
GUANOSINE (CAS# 118-00-3); (M+CL)-GuanosineME1931416802-1.552-
GUANOSINE (CAS# 118-00-3); (M-H)-GuanosineME1931426802-1.873-
HEPTADECANOATE (CAS# 506-12-7); (M-H)-Margaric acidME19314610465-23.03-
HEXACOSANOIC ACID (CAS# 506-46-7); (M-H)-Cerotic acidME19314710469-25.756-
HIPPURATE (CAS# 495-69-2); (M-H)-Hippuric acidME193148464-4.892-
HOMOCYSTINE (CAS# 462-10-2); (M-H)-HomocystineME19314910010-0.688-
HYODEOXYCHOLATE (CAS# 83-49-8); (M-H)-Hyodeoxycholic acidME1931505283820-22.909-
HYPOXANTHINE (CAS# 68-94-0); (M-H)-HypoxanthineME193151790-1.114-
IBUPROFEN CARBOXYLIC ACID (CAS# 15935-54-3); (M-H)...-ME19315210444113-13.068-
INDICAN (CAS# 487-60-5); (2M+CL)-[-H2O]IndicanME193153441564-0.871-
INDOLE-3-ACETALDEHYDE (CAS# 2591-98-2); (M-H)-IndoleacetaldehydeME193154800-2.953-
INDOLE-3-ACETAMIDE (CAS# 879-37-8); (M+CL)-1H-Indole-3-acetamideME193155397-5.815-
INDOLE-3-ACETATE (CAS# 87-51-4); (M-H)-Indoleacetic acidME193156802-8.581-
INDOLE-3-PYRUVIC ACID (CAS# 392-12-1); (M-H)-IndolepyruvateME193157803-10.548-
INOSINE 5'-DIPHOSPHATE (CAS# 86-04-4); (M-H)-IDPME1931606831-0.633-
INOSINE 5'-DIPHOSPHATE (CAS# 86-04-4); (M-H)+[-H2O...IDPME1931596831-0.596-
INOSINE 5'-PHOSPHATE (CAS# 131-99-7); (M-H)-IMPME1931618582-1.036-
INOSINE (CAS# 58-63-9); (M-H)-InosineME1931586021-1.841-
ISOCITRATE (CAS# 320-77-4); (M-H)-Isocitric acidME1931625318532-0.78-
ISOLEUCINE (CAS# 73-32-5); (M-H)-IsoleucineME1931636306-1.55-
ITACONATE (CAS# 97-65-4); (M-H)-Itaconic acidME193164811-1.646-
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (2M-H)--ME1931655281166-13.219-
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M-H)--ME1931665281166-13.219-
KYNURENINE (CAS# 343-65-7); (M-H)-KynurenineME193167161166-2.234-
L-[15N]ANTHRANILIC ACID [ISTD] (CAS# ); (M-H)-2-Aminobenzoic acidME193182227-5.434-
LACTOSE (CAS# 63-42-3); (M+CL)-LactoseME193183440995-0.705-
LACTOSE (CAS# 63-42-3); (M-H)-LactoseME193184440995-0.685-
LANTHIONINE (CAS# 3183-08-2); (M-H)-LanthionineME193185102950-0.74-
L-ARGININE (CAS# 74-79-3); (M-H)-ArginineME1931686322-0.641-
L-ARGININE-(GUANIDINEIMINO-15N2) [ISTD] (CAS# ); (...-ME19316916217579-0.629-
LAURIC ACID (CAS# 143-07-7); (M-H)-Lauric acidME1931863893-21.814-
L-CARNITINE (CAS# 541-15-1); (M+CL)-CarnitineME19317010917-0.647-
LEUCINE (CAS# 328-39-2); (M-H)-LeucineME1931876106-1.565-
LEUKOTRIENE B4 (CAS# 71160-24-2); (M-H)-LTB4ME1931885280492-20.488-
L-FUCOSE 1-PHOSPHATE (CAS# 16562-58-6); (2M-H)-Fucose 1-phosphateME193171439871-0.641-
L-GULONATE (CAS# 6322-07-2); (M+CL)+[-H2O]Gulonic acidME193172152304-0.742-
L-GULONATE (CAS# 6322-07-2); (M-H)-Gulonic acidME193174152304-0.697-
L-GULONATE (CAS# 6322-07-2); (M-H)+[-H2O]Gulonic acidME193173152304-0.756-
L-HISTIDINE (CAS# 71-00-1); (M-H)-HistidineME1931756274-0.638-
LIGNOCERIC ACID (CAS# 557-59-5); (M-H)-Lignoceric acidME19318911197-24.823-
LINOLEATE (CAS# 60-33-3); (M-H)-Linoleic acidME1931905280450-22.774-
LITHOCHOLIC ACID (CAS# 434-13-9); (M-H)-Lithocholic acidME1931919903-22.397-
L-METHIONINE SULFOXIMINE (CAS# 15985-39-4); (M-H)-Methionine sulfoximineME19317689034-0.706-
L-ORNITHINE (CAS# 70-26-8); (M-H)-OrnithineME1931776262-0.623-
L-RHAMNOSE (CAS# 10030-85-0); (M+CL)-RhamnoseME19317825310-0.724-
L-RHAMNOSE (CAS# 10030-85-0); (M-H)-RhamnoseME19318025310-0.834-
L-RHAMNOSE (CAS# 10030-85-0); (M+HCOO)-RhamnoseME19317925310-0.709-
L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M-H)--ME19318116217285-3.669-
LUMICHROME (CAS# 1086-80-2); (M-H)-LumichromeME1931925326566-10.976-
LYSINE (CAS# 56-87-1); (M-H)-LysineME1931935962-0.612-
MALATE (CAS# 97-67-6); (M-H)-Malic acidME193196222656-0.844-
MALATE (CAS# 97-67-6); (M-H)+[-H2O]Malic acidME193195222656-0.821-
MALEAMATE (CAS# 557-24-4); (M-H)-MaleamateME1931975280451-0.653-
MALEIC ACID (CAS# 110-16-7); (M-H)-Maleic acidME193198444266-0.995-
MALONATE (CAS# 141-82-2); (M-H)-Malonic acidME193199867-0.939-
MALONIC ACID-D4 (CAS# 813-56-9); (M-H)-Malonic acidME193200867-0.904-
MALTOSE (CAS# 69-79-4); (M+CL)-MaltoseME193201439186-0.705-
MALTOSE (CAS# 69-79-4); (M+HCOO)-MaltoseME193202439186-0.726-
MANDELIC ACID (CAS# 611-71-2); (M-H)-Mandelic acidME19320311914-5.706-
MANNITOL (CAS# 69-65-8); (M+CL)-MannitolME1932046251-0.94-
MANNOSE-6-PHOSPHATE (CAS# 3672-15-9); (M-H)-Mannose 6-phosphateME193205439198-0.736-
MELIBIOSE (CAS# 585-99-9); (M+CL)-MelibioseME193206440658-0.705-
MELIBIOSE (CAS# 585-99-9); (M+HCOO)-MelibioseME193207440658-0.737-
METHIONINE (CAS# 63-68-3); (M-H)-MethionineME1932086137-1.007-
METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+CL)...Methyl beta-D-galactosideME19320994214-0.812-
METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+HCO...Methyl beta-D-galactosideME19321094214-0.684-
METHYLMALONATE (CAS# 516-05-2); (M-H)-Methylmalonic acidME193211487-1.345-
M-HYDROXYMANDELIC ACID (CAS# 17119-15-2); (2M-H)-3-Hydroxymandelic acidME19319486957-2.264-
MYRISTIC ACID (CAS# 544-63-8); (M-H)-Myristic acidME19321211005-22.495-
MYRISTOLEIC ACID (CAS# 544-64-9); (M-H)-Myristoleic acidME1932135281119-22.055-
N6-(DELTA2-ISOPENTENYL)-ADENINE (CAS# 2365-40-4); ...N6-(delta2-Isopentenyl)-adenineME19324092180-7.928-
N6-(DELTA2-ISOPENTENYL)-ADENINE (CAS# 2365-40-4); ...N6-(delta2-Isopentenyl)-adenineME19324192180-7.925-
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+CL)-N-Acetyl-D-glucosamineME193214446101-0.707-
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+HCOO)-N-Acetyl-D-glucosamineME193215446101-0.664-
N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M-H)-N-Acetylglutamic acidME193218185-1.336-
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M-H)-N-AcetylmethionineME193219448580-4.132-
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M-H)-N-AcetylserineME19322065249-0.67-
N-ACETYL-D-MANNOSAMINE (CAS# 3615-17-6); (M+CL)-N-Acetyl-mannosamineME19321653477792-0.707-
N-ACETYL-D-TRYPTOPHAN (CAS# 2280-01-5); (M-H)-N-Acetyl-D-tryptophanME193217439917-8.013-
N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+CL)-N-Acetyl-D-galactosamineME19322735717-0.707-
N-ACETYLGLYCINE (CAS# 543-24-8); (M-H)-N-AcetylglycineME1932281097-0.979-
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M-H)-N-AcetylalanineME19322188064-1.489-
N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M-H)-N-Acetylaspartic acidME19322265065-0.966-
N-ACETYL-L-CYSTEINE (CAS# 616-91-1); (M-H)-N-AcetylcysteineME19322312035-3.556-
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (2M-H)-N-AcetylleucineME19322475619-7.254-
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M-H)-N-AcetylleucineME19322575619-7.256-
N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M-H)-N-AcetylphenylalanineME19322674839-7.79-
N-ACETYLNEURAMINATE (CAS# 131-48-6); (M-H)-N-Acetylneuraminic acidME193229439197-0.61-
NAD (CAS# 53-84-9); (M-H)-NAD+ME1932425893-1.04-
N-ALPHA-ACETYL-L-ASPARAGINE (CAS# 4033-40-3); (M-H...N-AcetylasparagineME19323099715-0.798-
N-ALPHA-ACETYL-L-LYSINE (CAS# 1946-82-3); (M-H)-N(2)-AcetyllysineME19323192907-0.999-
N-AMIDINO-L-ASPARTATE (CAS# 6133-30-8); (M+CL)-Guanidinosuccinic acidME193233439918-0.914-
N-AMIDINO-L-ASPARTATE (CAS# 6133-30-8); (M+CL)+[-H...Guanidinosuccinic acidME193232439918-0.831-
N-BENZYLOXYCARBONYLGLYCINE (CAS# 1138-80-3); (2M-H...N-BenzyloxycarbonylglycineME19323414349-8.663-
N-BOC-D-GLUCOSAMINE (CAS# 75251-80-8); (M+CL)--ME19323513998612-3.492-
N-BOC-D-GLUCOSAMINE (CAS# 75251-80-8); (M-H)--ME19323713998612-3.389-
N-BOC-D-GLUCOSAMINE (CAS# 75251-80-8); (M+HCOO)--ME19323613998612-4.094-
NERVONIC ACID (CAS# 506-37-6); (M-H)-Nervonic acidME1932435281120-24.234-
NICOTINATE (CAS# 59-67-6); (M-H)-Nicotinic acidME193244938-1.056-
NICOTINIC ACID MONONUCLEOTIDE (CAS# ); (M-H)-Nicotinic acid mononucleotideME1932454484-0.678-
N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M-H)-N-Methyl-D-aspartic acidME1932384376-0.663-
N-OLEOYLGLYCINE (CAS# 2601-90-3); (M-H)-N-Oleoyl glycineME1932396436908-22.568-
NONANOATE (CAS# 112-05-0); (M-H)-Pelargonic acidME1932468158-18.451-
NORLEUCINE (CAS# 327-57-1); (M-H)-NorleucineME19324721236-1.566-
OLEIC ACID (CAS# 112-80-1); (M-H)-Oleic acidME193250445639-22.98-
OMEGA-HYDROXYDODECANOIC ACID (CAS# 505-95-3); (M-H...12-Hydroxy lauric acidME19325179034-17.053-
O-PHOSPHO-DL-SERINE (CAS# 17885-08-4); (2M-H)+DL-O-PhosphoserineME193248106-0.597-
OPHTHALMIC ACID (CAS# 495-27-2); (M-H)-Ophthalmic acidME1932527018721-1.207-
OROTATE (CAS# 65-86-1); (M-H)-Orotic acidME193253967-0.813-
O-SUCCINYL-L-HOMOSERINE (CAS# 1492-23-5); (M-H)-o-SuccinylhomoserineME193249439406-1.165-
OXALATE (CAS# 144-62-7); (M-H)-Oxalic acidME193254971-0.857-
OXALOACETATE (CAS# 328-42-7); (M-H)-[-H2O]Oxaloacetic acidME193255970-0.774-
OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M-2H)-2Oxidized glutathioneME19325665359-1.213-
OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M-H)-Oxidized glutathioneME19325765359-1.427-
OXOMALONATE (CAS# 473-90-5); (M-H)-Mesoxalic acidME19325810132-0.866-
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (CAS# 120595-...p-AcetamidophenylglucuronideME19325983944-2.378-
PALATINOSE (CAS# 343336-76-5); (M+CL)-PalatinoseME193260439559-0.706-
PALATINOSE (CAS# 343336-76-5); (M+HCOO)-PalatinoseME193261439559-0.737-
PALMITATE (CAS# 57-10-3); (M-H)-Palmitic acidME193262985-22.899-
PALMITOLEIC ACID (CAS# 373-49-9); (M-H)-Palmitoleic acidME193263445638-22.639-
PANTOTHENATE (CAS# 79-83-4); (M+CL)-Pantothenic acidME1932646613-3.336-
PANTOTHENATE (CAS# 79-83-4); (M-H)-Pantothenic acidME1932656613-3.329-
PARAXANTHINE (CAS# 611-59-6); (M-H)-ParaxanthineME1932664687-4.454-
PENICILLAMINE (CAS# 52-67-5); (2M-H)+[-H2]PenicillamineME1932675852-1.153-
PENTANOATE (CAS# 109-52-4); (M+HCOO)-Valeric acidME1932687991-2.237-
PHENOL (CAS# 108-95-2); (M-H)-PhenolME193269996-4.165-
PHENYL ACETATE (CAS# 122-79-2); (M+HCOO)-Phenylacetic acidME193270999-3.862-
PHENYLALANINE (CAS# 63-91-2); (M-H)-PhenylalanineME1932716140-2.521-
PHENYLPYRUVATE (CAS# 156-06-9); (M-H)-Phenylpyruvic acidME193272997-5.583-
PHOSPHOCREATINE (CAS# 67-07-2); (M-H)-PhosphocreatineME1932739548602-0.921-
PHOSPHOENOLPYRUVATE (CAS# 138-08-9); (M-H)-Phosphoenolpyruvic acidME1932741005-1.434-
PHYTANATE (CAS# 14721-66-5); (M-H)-Phytanic acidME19327510380830-23.32-
PICOLINIC ACID (CAS# 98-98-6); (M-H)-Picolinic acidME1932761018-1.057-
PINITOL (CAS# 10284-63-6); (M+CL)-PinitolME193277164619-0.812-
PROCOLLAGEN 5-HYDROXY-L-LYSINE (CAS# 1190-94-9); (...-ME19327883228-0.59-
PROPENOATE (CAS# 79-10-7); (M-H)-Acrylic acidME1932796581-1.27-
PROSTAGLANDIN E2 (CAS# 363-24-6); (M+CL)-PGE2ME1932805280360-16.807-
PTERIN (CAS# 2236-60-4); (M-H)-PterinME19328173000-1.591-
PURINE (CAS# 120-73-0); (M-H)-PurineME1932821044-1.472-
PYRIDOXAL PHOSPHATE (CAS# 853645-22-4); (M-H)-Pyridoxal 5'-phosphateME1932831051-1.437-
PYRUVATE (CAS# 127-17-3); (M-H)-Pyruvic acidME1932841060-0.761-
QUINATE (CAS# 77-95-2); (M-H)-Quinic acidME1932856508-0.663-
RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+CL)...MG 14:0ME19328679050-22.06-
RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+HCO...MG 14:0ME19328779050-22.04-
RAFFINOSE (CAS# 512-69-6); (M+CL)-RaffinoseME193288439242-0.713-
RAFFINOSE (CAS# 512-69-6); (M+HCOO)-RaffinoseME193289439242-0.758-
RETINOATE (CAS# 302-79-4); (M-H)-Retinoic acidME193290444795-22.335-
RIBITOL (CAS# 488-81-3); (M+CL)-RibitolME19329194154-0.753-
RIBOFLAVIN (CAS# 83-88-5); (2M-H)-RiboflavinME193292493570-7.659-
RIBOFLAVIN (CAS# 83-88-5); (M+CL)-RiboflavinME193293493570-7.666-
RIBOFLAVIN (CAS# 83-88-5); (M-H)-RiboflavinME193295493570-7.656-
RIBOFLAVIN (CAS# 83-88-5); (M+HCOO)-RiboflavinME193294493570-7.656-
RIBOSE 5-PHOSPHATE (CAS# 4300-28-1); (M-H)-Ribose 5-phosphateME193297439167-0.705-
RIBOSE (CAS# 50-69-1); (M+CL)-RiboseME1932965779-0.716-
(S)-2-AMINO-3-(3-HYDOXY-4-OXO-4H-PYRIDIN-1-YL)PROP...MimosineME192921440473-0.864-
(S)-3-METHYL-2-OXOPENTANOATE (CAS# 1460-34-0); (M-...3-Methyl-2-oxovaleric acidME19292247-4.503-
S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M+CL)-S-AdenosylhomocysteineME193298439155-1.371-
S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M-H)-S-AdenosylhomocysteineME193299439155-1.418-
SALICYLATE (CAS# 69-72-7); (M-H)-Salicylic acidME193300338-8.346-
SALICYLURIC ACID (CAS# 487-54-7); (M-H)-Salicyluric acidME19330110253-6.269-
(-)-SALSOLINOL (CAS# 27740-96-1); (M+CL)-SalsolinolME1929197157331-1.621-
(S)-DIHYDROOROTATE (CAS# 5988-19-2); (M-H)-4,5-Dihydroorotic acidME1929231149667-0.813-
SEBACIC ACID (CAS# 111-20-6); (M-H)-Sebacic acidME1933025192-13.019-
SERINE (CAS# 56-45-1); (M-H)-SerineME193303617-0.652-
SHIKIMATE (CAS# 138-59-0); (M-H)-Shikimic acidME1933048742-0.723-
SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+...sn-Glycero-3-phosphocholineME193305439285-0.732-
SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+...sn-Glycero-3-phosphocholineME193306439285-0.73-
SORBITOL (CAS# 50-70-4); (M+CL)-SorbitolME1933075780-0.875-
STACHYOSE (CAS# 54261-98-2); (M+CL)-StachyoseME193308439531-0.755-
STACHYOSE (CAS# 54261-98-2); (M-H)-StachyoseME193310439531-0.605-
STACHYOSE (CAS# 54261-98-2); (M+HCOO)-StachyoseME193309439531-0.652-
STEARATE (CAS# 57-11-4); (M-H)-Stearic acidME1933115281-23.24-
SUBERIC ACID (CAS# 505-48-6); (M-H)-Suberic acidME19331210457-8.32-
SUCCINATE (CAS# 110-15-6); (M-H)-Succinic acidME1933131110-1.345-
SUCROSE (CAS# 57-50-1); (M+CL)-SucroseME1933145988-0.706-
SUCROSE (CAS# 57-50-1); (M+HCOO)-SucroseME1933155988-0.737-
TARTARIC ACID (CAS# 87-69-4); (M-H)-Tartaric acidME193316875-0.738-
TAURINE (CAS# 107-35-7); (M-H)-TaurineME1933171123-0.648-
THEOPHYLLINE (CAS# 58-55-9); (M-H)-TheophyllineME1933182153-4.441-
THREONINE (CAS# 72-19-5); (M+HCOO)-[-H2O]ThreonineME1933196288-0.672-
THROMBOXANE B2 (CAS# 54397-85-2); (M-H)-TXB2ME1933205283137-16.795-
THROMBOXANE B2 (CAS# 54397-85-2); (M-H)-[-H2O]TXB2ME1933215283137-16.988-
THYMIDINE 5'-MONOPHOSPHATE (CAS# 365-07-1); (M-H)-TMPME19332512803287-1.709-
THYMIDINE (CAS# 50-89-5); (M+CL)-ThymidineME1933225789-2.775-
THYMIDINE (CAS# 50-89-5); (M-H)-ThymidineME1933245789-2.712-
THYMIDINE (CAS# 50-89-5); (M+HCOO)-ThymidineME1933235789-2.652-
THYMINE (CAS# 65-71-4); (M-H)-ThymineME1933261135-1.752-
THYROTROPIN RELEASING HORMONE (CAS# 24305-27-9); (...Thyrotropin releasing hormoneME193327638678-1.435-
THYROXINE (CAS# 51-48-9); (M-H)-ThyroxineME1933285819-16.24-
TRANS-ACONITATE (CAS# 4023-65-8); (M-H)-trans-Aconitic acidME193329444212-1.285-
TRANS-VACCENIC ACID (CAS# 693-72-1); (M-H)-trans-Vaccenic acidME1933305281127-22.98-
TRICARBALLYLIC ACID (CAS# 99-14-9); (M-H)-1,2,3-Propanetricarboxylic acidME19333114925-1.288-
TRICARBALLYLIC ACID (CAS# 99-14-9); (M-H)-[-H2O]1,2,3-Propanetricarboxylic acidME19333214925-1.177-
TRICOSANOIC ACID (CAS# 2433-96-7); (M-H)-Tricosylic acidME19333317085-24.379-
TRIDECANOIC ACID (CAS# 638-53-9); (M-H)-Tridecylic acidME19333412530-22.181-
TRYPTOPHAN (CAS# 73-22-3); (2M-H)-TryptophanME1933356305-3.627-
TRYPTOPHAN (CAS# 73-22-3); (M-H)-TryptophanME1933366305-3.627-
TYROSINE (CAS# 60-18-4); (M-H)-TyrosineME1933376057-1.323-
UDP-GALACTOSE (CAS# 2956-16-3); (M-H)-UDP-galactoseME19333844134987-1.383-
UDP-GLUCOSE (CAS# 133-89-1); (M-H)-UDP-glucoseME19333953477679-1.383-
UDP-N-ACETYL-D-GALACTOSAMINE (CAS# ); (M-H)-UDP-N-acetylgalactosamineME19334123724461-0.815-
UDP-N-ACETYL-D-GALACTOSAMINE (CAS# ); (M-H)+[-H2O]UDP-N-acetylgalactosamineME19334023724461-0.664-
UDP-N-ACETYL-D-GLUCOSAMINE (CAS# 528-04-1); (M-H)-UDP-N-acetylglucosamineME193342445675-1.346-
URACIL 5-CARBOXYLATE (CAS# 23945-44-0); (M-H)-Uracil-5-carboxylic acidME1933446971263-0.951-
URACIL (CAS# 66-22-8); (M-H)-UracilME1933431174-0.818-
URATE (CAS# 69-93-2); (M-H)-Uric acidME1933451175-1.012-
URIDINE-5-MONOPHOSPHATE (CAS# 58-97-9); (M-H)-UMPME1933486030-0.992-
URIDINE (CAS# 58-96-8); (M+CL)-UridineME1933466029-1.42-
URIDINE (CAS# 58-96-8); (M-H)-UridineME1933476029-1.372-
UROCANATE (CAS# 104-98-3); (M-H)-Urocanic acidME193349736715-0.832-
URSODIOL (CAS# 128-13-2); (M-H)-Ursodeoxycholic acidME19335131401-21.753-
URSODIOL (CAS# 128-13-2); (M+HCOO)-Ursodeoxycholic acidME19335031401-21.649-
VALINE (CAS# 72-18-4); (M-H)-ValineME1933526287-0.839-
XANTHINE (CAS# 69-89-6); (M-H)-XanthineME1933531188-1.298-
XANTHOSINE 5'-PHOSPHATE (CAS# 523-98-8); (M-H)-XMPME19335573323-1.02-
XANTHOSINE (CAS# 146-80-5); (M-H)-XanthosineME19335464959-2.325-
XYLOSE (CAS# 58-86-6); (M+HCOO)-XyloseME193356135191-0.696-
ZEATIN [ISTD] (CAS# 13114-27-7); (M+CL)-trans-ZeatinME193357449093-3.931-
ZEATIN [ISTD] (CAS# 13114-27-7); (M-H)-trans-ZeatinME193358449093-3.93-


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+H)+[-H2O]10-Hydroxydecanoic acidME1933726991989-13.581-
10-HYDROXYDECANOATE (CAS# 1679-53-4); (M+NA)+10-Hydroxydecanoic acidME1933736991989-13.568-
11-DEOXYCORTICOSTERONE (CAS# 64-85-7); (M+NA)+11-DeoxycorticosteroneME1933746166-16.852-
1-(4-HYDROXYPHENYL)-2-AMINOETHANOL (CAS# 104-14-3)...-ME1933644581-0.859-
1-(5'-PHOSPHORIBOSYL)-5-AMINO-4-IMIDAZOLECARBOXAMI...AICA ribonucleotideME19336565110-0.651-
16:0-18:0 PC (CAS# 59403-51-9); (M+H)+PC 16:0_18:0ME19337718631368-25.545-
16:0-18:0 PC (CAS# 59403-51-9); (M+NA)+PC 16:0_18:0ME19337818631368-25.564-
16:0 LYSO PC (CAS# 17364-16-8); (M+H)+LPC 16:0ME193375460602-22.23-
16:0 LYSO PC (CAS# 17364-16-8); (M+NA)+LPC 16:0ME193376460602-22.279-
17ALPHA-HYDROXYPROGESTERONE (CAS# 68-96-2); (M+NA)...17alpha-HydroxyprogesteroneME1933796238-17.882-
17BETA-HYDROXYANDROSTAN-3-ONE (CAS# 521-18-6); (M+...5beta-DihydrotestosteroneME19338010635-18.751-
18:0 LYSO-PE (CAS# 69747-55-3); (2M+NA)+LPE 18:0ME1933819547068-22.765-
18:0 LYSO-PE (CAS# 69747-55-3); (M+H)+LPE 18:0ME1933829547068-22.68-
18:0 LYSO-PE (CAS# 69747-55-3); (M+NA)+LPE 18:0ME1933839547068-22.469-
1-AMINOCYCLOPROPANE-1-CARBOXYLATE (CAS# 22059-21-8...1-Aminocyclopropanecarboxylic acidME1933665460234-0.91-
1-METHYLADENOSINE (CAS# 15763-06-1); (M+H)+1-MethyladenosineME19336727476-2.925-
1-METHYLNICOTINAMIDE (CAS# ); M+1-Methyl nicotinamideME193368457-0.836-
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+H)+[-H2O...MG 18:1ME1933695283468-22.838-
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+NA)+MG 18:1ME1933705283468-22.709-
1-PHENYLETHANOL (CAS# 1445-91-6); (M+H)+[-H2O]-ME1933717409-2.873-
20:0 LYSO PC (CAS# 108341-80-6); (M+H)+LPC 20:0ME19339924779473-22.853-
20:0 LYSO PC (CAS# 108341-80-6); (M+NA)+LPC 20:0ME19340024779473-22.904-
24:0 SM (D18:1/24:0) (CAS# 60037-60-7); (M+H)+SM 18:1;O2/24:0ME19340144260127-27.885-
24:0 SM (D18:1/24:0) (CAS# 60037-60-7); (M+NA)+SM 18:1;O2/24:0ME19340244260127-27.872-
25-HYDROXYCHOLESTEROL (CAS# 2140-46-7); (M+H)+[-H2...25-HydroxycholesterolME19340365094-22.888-
25-HYDROXYCHOLESTEROL (CAS# 2140-46-7); (M+NA)+25-HydroxycholesterolME19340465094-22.958-
2-AMINO-2-METHYLPROPANOATE (CAS# 62-57-7); (M+H)+Aminoisobutyric acidME19338822316286-1.424-
2-AMINOBUTANOATE (CAS# 2623-91-8); (M+H)+2-Aminobutyric acidME19338921889526-0.817-
2'-DEOXYCYTIDINE 5'-MONOPHOSPHATE (CAS# 1032-65-1)...dCMPME19338413945-0.687-
2'-DEOXYGUANOSINE (CAS# 961-07-9); (M+H)+DeoxyguanosineME193385187790-1.79-
2'-DEOXYINOSINE (CAS# 890-38-0); (2M+NA)+DeoxyinosineME19338665058-1.824-
2'-DEOXYINOSINE (CAS# 890-38-0); (M+NA)+DeoxyinosineME19338765058-2.102-
2-HYDROXY-3-METHYLBUTYRIC ACID (CAS# 4026-18-0); (...2-Hydroxy-3-methylbutyric acidME193390853180-3.533-
2-HYDROXYBUTYRATE (CAS# ); (M+NA)+2-Hydroxybutyric acidME19339111266-1.749-
2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M+H)+2-Methylglutaric acidME19339212046-3.6-
2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M+H)+[-H...2-Methylglutaric acidME19339312046-3.872-
2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M+NA)+2-Methylglutaric acidME19339412046-3.57-
2-METHYLMALEATE (CAS# 498-23-7); (M+NA)+Citraconic acidME193395643798-2.113-
2-METHYLPROPANAL OXIME (CAS# 151-00-8); (M+H)+[-H2...2-Methylpropanal oximeME1933969023-0.996-
2-METHYLPROPANOATE (CAS# 79-31-2); (M+NA)+Isobutyric acidME1933976590-3.091-
2-OXOBUTANOATE (CAS# 600-18-0); (M+H)+3-Methyl pyruvic acidME19339858-0.699-
3-AMINO-4-HYDROXYBENZOIC ACID (CAS# 1571-72-8); (M...3-Amino-4-hydroxybenzoic acidME19340665083-1.303-
3-AMINOISOBUTANOATE (CAS# 144-90-1); (M+H)+[-H2O]3-Aminoisobutanoic acidME19340764956-1.823-
3BETA-HYDROXY-5ALPHA-PREGNAN-20-ONE (CAS# 516-55-2...3beta-Hydroxy-5alpha-pregnan-20-oneME19342292787-20.738-
3BETA-HYDROXYANDROST-5-EN-17-ONE 3-SULFATE (CAS# )...Dehydroepiandrosterone sulfateME19342312594-14.733-
3'-CMP (CAS# 63-37-6); (M+H)+3'-CMPME19340566535-0.683-
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M+H)...3-Hydroxymethylglutaric acidME1934081662-1.889-
3-HYDROXYANTHRANILATE (CAS# 548-93-6); (M+H)+3-Hydroxyanthranilic acidME19340986-2.965-
3-METHOXYTYRAMINE (CAS# ); (M+H)+3-MethoxytyramineME1934101669-1.992-
3-METHYGLUTARIC ACID (CAS# 626-51-7); (M+H)+Methylglutaric acidME19341112284-3.6-
3-METHYGLUTARIC ACID (CAS# 626-51-7); (M+H)+[-H2O]Methylglutaric acidME19341212284-3.82-
3-METHYGLUTARIC ACID (CAS# 626-51-7); (M+NA)+Methylglutaric acidME19341312284-3.57-
3-METHYL-2-BUTENAL (CAS# 107-86-8); (M+NA)+3-Methyl-2-butenalME19341461020-2.703-
3-METHYL-2-OXINDOLE (CAS# 1504-06-9); (M+H)+3-MethyloxindoleME193415150923-9.197-
3-METHYLADENINE (CAS# 5142-23-4); (M+H)+3-MethyladenineME1934161673-0.738-
3-METHYLADENINE (CAS# 5142-23-4); (M+NA)+3-MethyladenineME1934171673-0.632-
3-METHYLADIPIC ACID (CAS# 3058-01-3); (M+NA)+3-Methyladipic acidME19341812292-5.618-
3-PHOSPHOGLYCERATE (CAS# ); (M+H)+3-Phosphoglyceric acidME193419439183-0.511-
3-UREIDOPROPIONIC ACID (CAS# 462-88-4); (M+H)+Ureidopropionic acidME193420111-1.018-
3-UREIDOPROPIONIC ACID (CAS# 462-88-4); (M+H)+[-H2...Ureidopropionic acidME193421111-0.773-
4-ACETAMIDOBUTANOATE (CAS# 3025-96-5); (M+NA)+4-Acetamidobutanoic acidME19342418189-1.849-
4-AMINOBENZOATE (CAS# 150-13-0); (M+H)+P-Aminobenzoic acidME193425978-2.798-
4-AMINOBUTANOATE (CAS# 56-12-2); (M+H)+gamma-Aminobutyric acidME193426119-0.844-
4-COUMARATE (CAS# 501-98-4); (M+H)+cis-p-Coumaric acidME193427637542-6.576-
4-COUMARATE (CAS# 501-98-4); (M+H)+[-H2O]cis-p-Coumaric acidME193428637542-6.932-
4-HYDROXY-2-QUINOLINECARBOXYLIC ACID-KRYNURENIC AC...Kynurenic acidME1934293845-5.057-
4-HYDROXY-3-METHOXY-BENZENEMETHANOL (CAS# 498-00-0...4-Hydroxy-3-methoxybenzenemethanolME19343062348-3.897-
4-HYDROXYBENZALDEHYDE (CAS# 123-08-0); (M+H)+4-HydroxybenzaldehydeME193432126-4.972-
4-HYDROXY-L-PROLINE (CAS# 2584-71-6); (M+H)+cis-4-HydroxyprolineME193431440015-0.879-
4-PYRIDOXATE (CAS# 82-82-6); (M+NA)+4-Pyridoxic acidME1934336723-2.055-
5ALPHA-CHOLEST-7-EN-3BETA-OL (CAS# 80-99-9); (M+H)...LathosterolME19344965728-24.608-
5-AMINOLEVULINATE (CAS# 106-60-5); (M+H)+5-Amino-levulinic acidME193437137-0.791-
5-AMINOLEVULINATE (CAS# 106-60-5); (M+NA)+5-Amino-levulinic acidME193438137-0.632-
5-AMINOPENTANOATE (CAS# 660-88-8); (M+H)+5-Aminopentanoic acidME193439138-0.588-
5'-DEOXYADENOSINE (CAS# 4754-39-6); (M+H)+5'-DeoxyadenosineME193434439182-2.783-
5-HYDROXYINDOLEACETATE (CAS# 54-16-0); (M+H)+5-Hydroxyindoleacetic acidME1934411826-4.114-
5-HYDROXYMETHYLURACIL (CAS# 4433-40-3); (M+H)+5-HydroxymethyluracilME19344278168-0.973-
5-HYDROXYMETHYLURACIL (CAS# 4433-40-3); (M+NA)+5-HydroxymethyluracilME19344378168-0.644-
5-HYDROXY OMEPRAZOLE (CAS# 92340-57-3); (M+NA)+5-HydroxyomeprazoleME193440119560-12.245-
5-HYDROXYTRYPTOPHAN (CAS# 4350-09-8); (2M+H)+5-Hydroxy-tryptophanME193444439280-1.738-
5-HYDROXYTRYPTOPHAN (CAS# 4350-09-8); (M+H)+5-Hydroxy-tryptophanME193445439280-1.806-
5-METHYLTETRAHYDROFOLATE (CAS# 134-35-0); (M+H)+5-Methyltetrahydrofolic acidME1934469825434-3.574-
5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+H)+5'-MethylthioadenosineME193435439176-4.486-
5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+NA)+5'-MethylthioadenosineME193436439176-4.481-
5-OXOPROLINE (CAS# 4042-36-8); (M+H)+Pyroglutamic acidME1934477405-1.216-
5-VALEROLACTONE (CAS# 542-28-9); (M+H)+5-ValerolactoneME19344810953-2.087-
6-CARBOXYHEXANOATE (CAS# 111-16-0); (M+NA)+Pimelic acidME193450385-5.716-
6-HYDROXYNICOTINATE (CAS# 5006-66-6); (M+NA)+6-Hydroxynicotinic acidME19345172924-1.835-
ABRINE (CAS# 526-31-8); (M+H)+N(alpha)-Methyl-tryptophanME193452160511-3.657-
ACETOACETATE (CAS# 541-50-4); (M+NA)+Acetoacetic acidME19345396-2.527-
ACETOACETYL-COA (CAS# 1420-36-6); (M+H)+Acetoacetyl-CoAME19345492153-21.184-
ACETYLCHOLINE (CAS# 51-84-3); M+AcetylcholineME193455187-3.895-
ADENINE (CAS# 73-24-5); (M+H)+AdenineME193456190-0.872-
ADENOSINE 5'-DIPHOSPHATE (CAS# 58-64-0); (M+H)+ADPME1934586022-1.002-
ADENOSINE 5'-MONOPHOSPHATE (CAS# 61-19-8); (2M+H)+AMPME1934596083-1.446-
ADENOSINE 5'-MONOPHOSPHATE (CAS# 61-19-8); (M+H)+AMPME1934606083-1.428-
ADENOSINE 5'-PHOSPHOSULFATE (CAS# 485-84-7); (M+NA...Adenosine phosphosulfateME19346110238-0.585-
ADENOSINE (CAS# 58-61-7); (M+H)+AdenosineME19345760961-1.79-
ADIPIC ACID (CAS# 124-04-9 ); (M+H)+Adipic acidME193462196-3.6-
ADIPIC ACID (CAS# 124-04-9 ); (M+NA)+Adipic acidME193463196-3.57-
ADPGLUCOSE (CAS# ); (M+H)+ADP-glucoseME19346716500-0.882-
ADPGLUCOSE (CAS# ); (M+NA)+ADP-glucoseME19346816500-0.582-
ADP-RIBOSE (CAS# ); (M+H)+ADP-riboseME19346433576-0.573-
ADP-RIBOSE (CAS# ); (M+H)+[-H2O]ADP-riboseME19346533576-1.043-
ADP-RIBOSE (CAS# ); (M+NA)+ADP-riboseME19346633576-0.579-
AGMATINE (CAS# 2482-00-0); (M+H)+AgmatineME193469199-0.568-
AHBA (CAS# 76045-71-1); (M+H)+3-Amino-5-hydroxybenzoic acidME193470127115-1.303-
ALANINE (CAS# 56-41-7); (M+H)+AlanineME1934715950-1.122-
ALLOSE (CAS# 2595-97-3); (M+H)+[-H2O]AlloseME193472439507-1.754-
ALPHA-D-GALACTOSE 1-PHOSPHATE (CAS# 2255-14-3); (M...Galactose 1-phosphateME193473123912-0.662-
ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+NA)+alpha-Linolenic acidME1934745280934-22.771-
ALPHA-TOCOPHEROL (CAS# 59-02-9); (M+H)+alpha-TocopherolME19347514985-24.506-
ANDROSTERONE (CAS# 53-41-8); (M+NA)+AndrosteroneME1934765879-19.785-
ANTHRANILATE (CAS# 118-92-3); (M+H)+2-Aminobenzoic acidME193477227-5.134-
ARABINOSE (CAS# 147-81-9); (M+NA)+ArabinoseME19347866308-0.675-
ARACHIDIC ACID (CAS# 506-30-9); (M+NA)+Arachidic acidME19347910467-23.327-
ASCORBATE (CAS# 50-81-7); (M+H)+[-H2O]Vitamin CME19348054670067-1.068-
ASPARAGINE (CAS# 70-47-3); (M+H)+AsparagineME1934816267-0.462-
ASPARAGINE (CAS# 70-47-3); (M+NA)+AsparagineME1934826267-0.649-
ASPARTATE (CAS# 56-84-8); (M+H)+Aspartic acidME1934835960-0.71-
ASPARTATE (CAS# 56-84-8); (M+NA)+Aspartic acidME1934845960-0.631-
AZELAIC ACID (CAS# 123-99-9); (M+H)+[-H2O]Azelaic acidME1934852266-10.755-
AZELAIC ACID (CAS# 123-99-9); (M+NA)+Azelaic acidME1934862266-10.743-
BENZOATE (CAS# 65-85-0); (M+H)+Benzoic acidME193487243-4.972-
BETA-ALANINE (CAS# 107-95-9); (M+H)+beta-AlanineME193488239-0.676-
BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (CAS# 584-85...AnserineME193489112072-0.711-
BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (CAS# 584-85...AnserineME193490112072-0.729-
BETAINE (CAS# 107-43-7); (M+H)+BetaineME193493247-0.49-
BETAINE (CAS# 107-43-7); (M+NA)+BetaineME193494247-0.665-
BETA-MALTOSE (CAS# 69-79-4); (2M+NA)+MaltoseME193491439186-0.7-
BETA-MALTOSE (CAS# 69-79-4); (M+NA)+MaltoseME193492439186-0.676-
BILIVERDIN (CAS# 114-25-0); (M+NA)+BiliverdinME1934955280353-18.46-
BIOTIN (CAS# 58-85-5); (M+H)+[-H2O]BiotinME19349611966127-6.347-
BIOTIN (CAS# 58-85-5); (M+NA)+BiotinME19349711966127-6.269-
BIS(2-ETHYLHEXYL)PHTHALATE (CAS# 117-81-7); (M+H)+bis(2-Ethylhexyl)phthalic acidME1934988343-23.109-
BIS(2-ETHYLHEXYL)PHTHALATE (CAS# 117-81-7); (M+NA)...bis(2-Ethylhexyl)phthalic acidME1934998343-23.112-
BIS-GAMMA-GLUTAMYLCYSTINE (CAS# 23052-19-9); (M+H)...Bis-gamma-glutamylcystineME19350090657696-0.937-
BOC-LYS-OH (CAS# 13734-28-6); (M+H)+-ME1935012733284-4.698-
BOC-PRO-OH (CAS# 15761-39-4); (M+NA)+-ME19350285083-11.959-
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 4...-ME19350346891735-23.032-
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 4...-ME19350446891735-23.005-
CADAVERINE (CAS# 462-94-2); (M+NA)+CadaverineME193505273-0.578-
CAFFEATE (CAS# 331-39-5); (M+H)+[-H2O]Caffeic acidME1935061549111-5.362-
CAFFEINE (CAS# 58-08-2); (M+NA)+CaffeineME1935072519-5.874-
CALCIDIOL (CAS# 19356-17-3); (M+NA)+25-Hydroxyvitamin D3ME1935085283731-22.63-
CARNOSINE (CAS# 305-84-0); (M+H)+CarnosineME193509439224-0.664-
CARNOSINE (CAS# 305-84-0); (M+NA)+CarnosineME193510439224-0.636-
CATECHOL (CAS# 120-80-9); (M+H)+PyrocatecholME193511289-2.677-
CELLOBIOSE (CAS# 528-50-7); (M+NA)+CellobioseME193512294-0.677-
CHOLATE (CAS# 81-25-4); (M+NA)+Cholic acidME193513221493-20.357-
CHOLESTEROL (CAS# 57-88-5); (M+H)+[-H2O]CholesterolME1935145997-24.608-
CHOLESTEROL HYDROGEN SULFATE (CAS# 1256-86-6); M+[...Cholesterol sulfateME19351565076-23.698-
CHOLINE (CAS# 62-49-7); M+CholineME193516305-0.642-
CHOLINE PHOSPHATE (CAS# 107-73-3); (M+H)+Choline phosphateME1935171014-0.81-
CINNAMIC ACID (CAS# 140-10-3); (M+H)+[-H2O]Cinnamic acidME193518444539-11.52-
CIS-VACCENIC ACID (CAS# 506-17-2); (M+H)+cis-Vaccenic acidME1935195282761-22.927-
CIS-VACCENIC ACID (CAS# 506-17-2); (M+K)+cis-Vaccenic acidME1935205282761-22.958-
CIS-ZEATIN (CAS# 1637-39-4); (M+H)+cis-ZeatinME193521688597-3.905-
CITRAMALATE (CAS# 2306-22-1); (M+NA)+Citramalic acidME193522441696-1.514-
CITRATE (CAS# 77-92-9); (M+H)+[-H2O]Citric acidME193523311-1.056-
CITRATE (CAS# 77-92-9); (M+NA)+Citric acidME193524311-1.026-
CITRULLINE (CAS# 372-75-8); (M+NA)+CitrullineME1935259750-0.701-
CMP (CAS# 63-37-6); (M+H)+CMPME1935266131-0.682-
CORTISOL (CAS# 50-23-7); (M+NA)+CortisolME1935275754-13.826-
(-)-COTININE (CAS# 486-56-6); (M+H)+CotinineME193359854019-1.701-
CREATINE (CAS# 57-00-1); (M+H)+CreatineME193528586-0.686-
CREATININE (CAS# 60-27-5); (M+H)+CreatinineME193529588-0.756-
CREATININE-(GUANIDINO-13C) [ISTD] (CAS# ); (2M+H)+-ME19353071309782-0.695-
CYCLOPENTANONE (CAS# 120-92-3); (2M+K)+CyclopentanoneME1935318452-3.17-
CYSTATHIONINE (CAS# 56-88-2); (M+H)+[-H2O]CystathionineME193532439258-0.659-
CYSTATHIONINE (CAS# 56-88-2); (M+NA)+CystathionineME193533439258-0.637-
CYSTINE (CAS# 56-89-3); (M+H)+CystineME1935346857538-0.866-
CYSTINE (CAS# 56-89-3); (M+NA)+CystineME1935356857538-0.644-
CYTIDINE 5'-DIPHOSPHATE (CAS# 63-38-7); (M+H)+CDPME1935386132-0.7-
CYTIDINE 5'-DIPHOSPHATE (CAS# 63-38-7); (M+NA)+CDPME1935396132-0.639-
CYTIDINE 5'-DIPHOSPHOCHOLINE (CAS# 987-78-0); (M+H...Cytidine 5'-diphosphocholineME19354013804-0.576-
CYTIDINE 5'-DIPHOSPHOCHOLINE (CAS# 987-78-0); (M+N...Cytidine 5'-diphosphocholineME19354113804-0.596-
CYTIDINE (CAS# 65-46-3); (2M+H)+CytidineME1935366175-0.89-
CYTIDINE (CAS# 65-46-3); (M+H)+CytidineME1935376175-0.715-
CYTOSINE (CAS# 71-30-7); (M+H)+CytosineME193542597-0.806-
CYTOSINE (CAS# 71-30-7); (M+NA)+CytosineME193543597-0.844-
DAMP (CAS# 653-63-4); (M+H)+dAMPME19356112599-1.239-
DAMP (CAS# 653-63-4); (M+NA)+dAMPME19356212599-1.235-
D-(-)-ARABINOSE (CAS# 10323-20-3); (M+NA)+ArabinoseME19354466308-0.721-
DEBRISOQUIN (CAS# 581-88-4); (M+H)+DebrisoquineME1935632966-5.401-
DECANOATE (CAS# 334-48-5); (2M+NA)+Capric acidME1935642969-22.75-
DEHYDROASCORBATE (CAS# 490-83-5); (M+H)+L-Dehydroascorbic acidME193565210328-1.056-
DEOXYADENOSINE (CAS# 16373-93-6); (M+H)+DeoxyadenosineME19356613730-1.934-
DEOXYCHOLIC ACID (CAS# 83-44-3); (M+H)+Deoxycholic acidME193567222528-21.927-
DEOXYCHOLIC ACID (CAS# 83-44-3); (M+NA)+Deoxycholic acidME193568222528-21.706-
DEOXYCYTIDINE (CAS# 951-77-9); (2M+NA)+DeoxycytidineME19356913711-0.837-
DEOXYCYTIDINE (CAS# 951-77-9); (M+H)+DeoxycytidineME19357013711-0.838-
DEOXYURIDINE (CAS# 951-78-0); (M+NA)+DeoxyuridineME19357113712-1.442-
DESMOSTEROL (CAS# 313-04-2); (M+H)+[-H2O]DesmosterolME193572439577-23.97-
DETHIOBIOTIN (CAS# 533-48-2); (M+H)+DethiobiotinME193573445027-8.286-
DEXTROMETHORPHAN (CAS# 125-69-9); (M+H)+DextromethorphanME1935745360696-11.222-
D-GALACTOSAMINE (CAS# 7535-00-4); (M+H)+GalactosamineME1935453034366-0.684-
D-GALACTOSAMINE (CAS# 7535-00-4); (M+H)+[-H2O]GalactosamineME1935463034366-0.631-
D-GALACTOSAMINE (CAS# 7535-00-4); (M+K)+GalactosamineME1935473034366-0.699-
D-GALACTOSAMINE (CAS# 7535-00-4); (M+NA)+GalactosamineME1935483034366-0.615-
DGDP (CAS# 653-63-4); (M+H)+dGDPME193575439220-1.239-
DGDP (CAS# 653-63-4); (M+NA)+dGDPME193576439220-1.235-
D-GLUCOSAMINE 6-SULFATE (CAS# 91674-26-9); (M+H)+Glucosamine 6-sulfateME1935513330962-0.769-
D-GLUCOSAMINE (CAS# 3416-24-8); (M+H)+GlucosamineME193549439213-0.684-
D-GLUCOSAMINE (CAS# 3416-24-8); (M+NA)+GlucosamineME193550439213-0.615-
D-GLUCOSE 6-PHOSPHATE (CAS# 56-73-5); (M+NA)+Glucose 6-phosphateME1935525958-0.674-
D-GLUCURONOLACTONE (CAS# 32449-92-6); (M+NA)+GlucuronolactoneME193553439782-0.732-
DGMP (CAS# 902-04-5); (M+H)+dGMPME1935776994968-1.097-
DIETHANOLAMINE (CAS# 111-42-2); (M+NA)+DiethanolamineME1935788113-0.402-
DIHYDROFOLATE (CAS# 4033-27-6); (M+H)+Dihydrofolic acidME19357998792-5.113-
DIMETHYL MALEATE (CAS# 624-48-6); (M+H)+Dimethyl maleateME1935805271565-5.055-
DIMETHYL MALEATE (CAS# 624-48-6); (M+NA)+Dimethyl maleateME1935815271565-4.932-
DIPHENHYDRAMINE (CAS# 147-24-0); (M+H)+DiphenhydramineME1935823100-10.846-
D-LYXOSE (CAS# 1114-34-7); (M+NA)+LyxoseME19355465550-0.675-
D-MANNOSAMINE (CAS# 14307-02-9); (M+H)+-ME1935553034366-0.684-
D-MANNOSAMINE (CAS# 14307-02-9); (M+H)+[-H2O]-ME1935563034366-0.631-
D-MANNOSAMINE (CAS# 14307-02-9); (M+K)+-ME1935573034366-0.699-
D-MANNOSAMINE (CAS# 14307-02-9); (M+NA)+-ME1935583034366-0.615-
D-ORNITHINE (CAS# 348-66-3); (M+H)+D-OrnithineME1935596262-0.556-
DOXYLAMINE (CAS# 469-21-6); (M+H)+DoxylamineME1935833162-6.112-
D-PSICOSE (CAS# 551-68-8); (2M+NA)+[-H2O]PsicoseME19356090008-0.684-
ELAIDIC ACID (CAS# 112-79-8); (M+H)+Elaidic acidME193584637517-22.937-
ELAIDIC ACID (CAS# 112-79-8); (M+NA)+Elaidic acidME193585637517-22.79-
EPINEPHRINE (CAS# 51-43-4); (M+H)+EpinephrineME1935865816-0.657-
EPINEPHRINE (CAS# 51-43-4); (M+H)+[-H2O]EpinephrineME1935875816-0.674-
ESTRADIOL-17BETA (CAS# 50-28-2); (M+NA)+beta-EstradiolME1935885757-16.372-
ETHYL 3-UREIDOPROPIONATE (CAS# 198879-21-9); (M+H)...-ME1935893613685-3.674-
ETHYLMALONIC ACID (CAS# 601-75-2); (M+NA)+Ethylmalonic acidME19359011756-3.006-
FERULATE (CAS# 1135-24-6); (M+H)+trans-Ferulic acidME193591445858-8.291-
FERULATE (CAS# 1135-24-6); (M+H)+[-H2O]trans-Ferulic acidME193592445858-8.158-
FERULATE (CAS# 1135-24-6); (M+NA)+trans-Ferulic acidME193593445858-8.252-
FLAVIN ADENINE DINUCLEOTIDE (CAS# 146-14-5); (M+H)...FADME193594643975-6.47-
FRUCTOSE (CAS# 57-48-7); (M+NA)+FructoseME1935955984-0.701-
GALACTITOL OR DULCITOL (CAS# 608-66-2); (M+H)+GalactitolME19359611850-0.529-
GALACTITOL OR DULCITOL (CAS# 608-66-2); (M+H)+[-H2...GalactitolME19359711850-0.603-
GALACTITOL OR DULCITOL (CAS# 608-66-2); (M+NA)+GalactitolME19359811850-0.655-
GALACTURONIC ACID (CAS# 91510-62-2); (2M+NA)+Galacturonic acidME19359984740-0.631-
GALACTURONIC ACID (CAS# 91510-62-2); (M+NA)+[-H2O]Galacturonic acidME19360084740-0.609-
GAMMA-BUTYROLACTONE (CAS# 96-48-0); (M+H)+gamma-ButyrolactoneME1936017302-2.093-
GAMMA-L-GLUTAMYL-L-CYSTEINE (CAS# 686-58-8); (M+H)...gamma-GlutamylcysteineME193602123938-1.102-
GAMMA-L-GLUTAMYL-L-CYSTEINE (CAS# 686-58-8); (M+H)...gamma-GlutamylcysteineME193603123938-0.961-
GAMMA-LINOLENIC ACID (CAS# 506-26-3); (M+NA)+gamma-Linolenic acidME1936045280933-22.771-
GDPMANNOSE (CAS# ); (M+H)+GDP-mannoseME19360518396-0.578-
GDPMANNOSE (CAS# ); (M+NA)+GDP-mannoseME19360618396-0.58-
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+NA)+-ME1936076466-8.516-
GLUCONIC ACID (CAS# 526-95-4); (M+NA)+Gluconic acidME19360810690-0.778-
GLUCOSAMINATE (CAS# 3646-68-2); (M+H)+Glucosaminic acidME19360973563-0.693-
GLUCOSAMINE 6-PHOSPHATE (CAS# 3616-42-0); (M+H)+Glucosamine 6-phosphateME193610439217-0.827-
GLUCOSE (CAS# 50-99-7); (2M+NA)+GlucoseME1936115793-0.657-
GLUCOSE (CAS# 50-99-7); (2M+NA)+[-H2O]GlucoseME1936125793-0.691-
GLUCOSE (CAS# 50-99-7); (M+NA)+GlucoseME1936135793-0.648-
GLUCURONIC ACID (CAS# 6556-12-3); (M+NA)+Glucuronic acidME19361494715-0.744-
GLUTAMATE (CAS# 56-86-0); (M+H)+Glutamic acidME19361533032-0.709-
GLUTAMATE (CAS# 56-86-0); (M+H)+[-H2O]Glutamic acidME19361633032-0.666-
GLUTATHIONE (CAS# 27025-41-8); (M+H)+GlutathioneME193617124886-1.362-
GLUTATHIONE (CAS# 27025-41-8); (M+H2)+2GlutathioneME193618124886-1.413-
GLYCERALDEHYDE 3-PHOSPHATE DIETHYL ACETAL (CAS# 93...-ME1936203334922-3.507-
GLYCERALDEHYDE (CAS# 367-47-5); (2M+H)+[-H2O]GlyceraldehydeME19361979014-1.704-
GLYCINE (CAS# 56-40-6); (M+H)+GlycineME193621750-0.687-
GLYCOCHENODEOXYCHOLATE (CAS# 640-79-9); (M+H)+[-H2...Glycochenodeoxycholic acidME1936229548796-20.479-
GLYCOCHENODEOXYCHOLATE (CAS# 640-79-9); (M+NA)+Glycochenodeoxycholic acidME1936239548796-20.443-
GLYCOCHOLATE (CAS# 475-31-0); (M+NA)+Glycocholic acidME19362410140-18.824-
GLYCOLITHOCHOLATE (CAS# 474-74-8 ); (M+NA)+Glycolithocholic acidME193625115245-21.648-
GLYCOLITHOCHOLATE (CAS# 474-74-8 ); (M+NA)+[-H2O]Glycolithocholic acidME193626115245-21.472-
GUAIFENESIN (CAS# 93-14-1); (M+H)+GuaifenesinME1936273516-7.976-
GUANINE (CAS# 73-40-5); (2M+H)+GuanineME193628764-0.662-
GUANINE (CAS# 73-40-5); (2M+NA)+GuanineME193629764-0.899-
GUANINE (CAS# 73-40-5); (M+H)+GuanineME193630764-0.919-
GUANINE (CAS# 73-40-5); (M+NA)+GuanineME193631764-0.824-
GUANOSINE 5'-DIPHOSPHO-BETA-L-FUCOSE (CAS# 0); (M+...-ME193634451-1.224-
GUANOSINE 5'-PHOSPHATE (CAS# 85-32-5); (2M+H)+GMPME1936356804-1.021-
GUANOSINE 5'-PHOSPHATE (CAS# 85-32-5); (2M+NA)+[-H...GMPME1936366804-0.653-
GUANOSINE 5'-PHOSPHATE (CAS# 85-32-5); (M+H)+GMPME1936376804-1.022-
GUANOSINE (CAS# 118-00-3); (M+H)+GuanosineME1936326802-1.829-
GUANOSINE (CAS# 118-00-3); (M+NA)+GuanosineME1936336802-1.884-
HIPPURATE (CAS# 495-69-2); (M+H)+Hippuric acidME193638464-4.853-
HIPPURATE (CAS# 495-69-2); (M+NA)+Hippuric acidME193639464-4.862-
HISTAMINE (CAS# 51-45-6); (M+H)+HistamineME193640774-0.634-
HOMOCYSTINE (CAS# 462-10-2); (M+NA)+HomocystineME19364110010-0.57-
HOMOGENTISATE (CAS# 451-13-8); (M+NA)+Homogentisic acidME193642780-2.089-
HOMOSERINE (CAS# 672-15-1); (M+H)+HomoserineME19364312647-0.666-
HOMOSERINE (CAS# 672-15-1); (M+NA)+HomoserineME19364412647-0.64-
HOMOVANILLATE (CAS# 306-08-1); (M+H)+Homovanillic acidME1936451738-5.713-
HYODEOXYCHOLATE (CAS# 83-49-8); (M+NA)+Hyodeoxycholic acidME1936465283820-20.148-
HYPOXANTHINE (CAS# 68-94-0); (M+NA)+HypoxanthineME193647790-0.885-
IBUPROFEN (CAS# 15687-27-1); (M+NA)+IbuprofenME193648114864-18.901-
IMIDAZOLE-4-ACETATE (CAS# 645-65-8); (M+H)+Imidazoleacetic acidME19364996215-0.682-
INDOLE-3-ACETALDEHYDE (CAS# 2591-98-2); (M+H)+IndoleacetaldehydeME193651800-7.515-
INDOLE-3-ACETATE (CAS# 87-51-4); (M+H)+Indoleacetic acidME193652802-8.386-
INDOLE-3-ETHANOL (CAS# 526-55-6); (M+H)+TryptophanolME19365310685-8.458-
INDOLE-3-ETHANOL (CAS# 526-55-6); (M+H)+[-H2O]TryptophanolME19365410685-8.461-
INDOLE-3-PYRUVIC ACID (CAS# 392-12-1); (M+NA)+IndolepyruvateME193655803-10.548-
INDOLE (CAS# 120-72-9); (2M+NA)+IndoleME193650798-6.518-
INOSINE 5'-PHOSPHATE (CAS# 131-99-7); (M+H)+IMPME1936588582-0.801-
INOSINE (CAS# 58-63-9); (M+H)+InosineME1936566021-1.774-
INOSINE (CAS# 58-63-9); (M+NA)+InosineME1936576021-1.842-
ISOLEUCINE (CAS# 73-32-5); (M+H)+IsoleucineME1936596306-1.733-
ISOLEUCINE (CAS# 73-32-5); (M+NA)+IsoleucineME1936606306-1.576-
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M+H)+-ME1936615281166-13.161-
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M+NA)+-ME1936625281166-13.164-
KYNURENINE (CAS# 343-65-7); (M+H)+KynurenineME193663161166-2.413-
L-[15N]ANTHRANILIC ACID [ISTD] (CAS# ); (M+H)+2-Aminobenzoic acidME193679227-5.381-
LACTOSE (CAS# 63-42-3); (M+K)+LactoseME193680440995-0.666-
LACTOSE (CAS# 63-42-3); (M+NA)+LactoseME193681440995-0.678-
L-ALLOTHREONINE (CAS# 28954-12-3); (M+H)+AllothreonineME19366499289-0.666-
L-ALLOTHREONINE (CAS# 28954-12-3); (M+H)+[-H2O]AllothreonineME19366599289-0.656-
LANOSTEROL (CAS# 79-63-0); (M+NA)+LanosterolME193682246983-23.641-
LANTHIONINE (CAS# 3183-08-2); (M+H)+LanthionineME193683102950-0.884-
LANTHIONINE (CAS# 3183-08-2); (M+NA)+LanthionineME193684102950-0.836-
L-ARGININE (CAS# 74-79-3); (M+H)+ArginineME1936666322-0.65-
L-ARGININE (CAS# 74-79-3); (M+NA)+ArginineME1936676322-0.622-
L-ARGININE-(GUANIDINEIMINO-15N2) [ISTD] (CAS# ); (...-ME19366816217579-0.662-
LAUROYLCARNITINE (CAS# 25518-54-1); (M+H)+CAR 12:0ME193685168381-17.887-
L-CARNITINE (CAS# 541-15-1); (M+H)+CarnitineME19366910917-0.646-
LEUCINE (CAS# 328-39-2); (M+H)+LeucineME1936866106-1.747-
LEUCINE (CAS# 328-39-2); (M+NA)+LeucineME1936876106-1.58-
LEUKOTRIENE B4 (CAS# 71160-24-2); (M+H)+LTB4ME1936885280492-20.807-
LEUKOTRIENE B4 (CAS# 71160-24-2); (M+H)+[-H2O]LTB4ME1936895280492-20.748-
LEUKOTRIENE B4 (CAS# 71160-24-2); (M+NA)+LTB4ME1936905280492-20.631-
L-GULONATE (CAS# 6322-07-2); (M+H)+[-H2O]Gulonic acidME193670152304-0.973-
L-GULONATE (CAS# 6322-07-2); (M+NA)+Gulonic acidME193671152304-0.778-
L-GULONATE (CAS# 6322-07-2); (M+NA)+[-H2O]Gulonic acidME193672152304-0.828-
L-HISTIDINE (CAS# 71-00-1); (M+H)+HistidineME1936736274-0.641-
L-HISTIDINE (CAS# 71-00-1); (M+NA)+HistidineME1936746274-0.645-
L-HISTIDINOL (CAS# 4836-52-6); (M+H)+L-HistidinolME193675165271-0.548-
LINOLEATE (CAS# 60-33-3); (M+NA)+Linoleic acidME1936915280450-18.653-
LIPOAMIDE (CAS# 940-69-2); (M+NA)+LipoamideME193692863-10.27-
LIPOATE (CAS# 62-46-4); (M+NA)+Lipoic acidME1936936112-13.496-
LITHOCHOLIC ACID (CAS# 434-13-9); (M+NA)+Lithocholic acidME1936949903-22.332-
L-ORNITHINE (CAS# 70-26-8); (M+H)+OrnithineME1936766262-0.556-
L-RHAMNOSE (CAS# 10030-85-0); (2M+NA)+RhamnoseME19367725310-0.637-
L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M+H)+-ME19367816217285-3.64-
LUMICHROME (CAS# 1086-80-2); (M+H)+LumichromeME1936955326566-10.921-
LUMICHROME (CAS# 1086-80-2); (M+NA)+LumichromeME1936965326566-10.921-
LYSINE (CAS# 56-87-1); (M+H)+LysineME1936975962-0.561-
LYSINE (CAS# 56-87-1); (M+NA)+LysineME1936985962-0.589-
MALEAMATE (CAS# 557-24-4); (M+H)+MaleamateME1937005280451-0.772-
MALEAMATE (CAS# 557-24-4); (M+NA)+MaleamateME1937015280451-0.644-
MALTOSE (CAS# 69-79-4); (M+NA)+MaltoseME193702439186-0.676-
MANDELIC ACID (CAS# 611-71-2); (M+NA)+Mandelic acidME19370311914-5.648-
MANNITOL (CAS# 69-65-8); (M+H)+MannitolME1937046251-0.864-
MANNITOL (CAS# 69-65-8); (M+H)+[-H2O]MannitolME1937056251-0.603-
MANNITOL (CAS# 69-65-8); (M+NA)+MannitolME1937066251-0.655-
MANNOSE-6-PHOSPHATE (CAS# 3672-15-9); (M+H)+[-H2O]Mannose 6-phosphateME193707439198-0.664-
MANNOSE-6-PHOSPHATE (CAS# 3672-15-9); (M+NA)+Mannose 6-phosphateME193708439198-0.662-
MELANIN (CAS# 8049-97-6); (M+H)+MelaninME1937096325610-1.253-
MELATONIN (CAS# 73-31-4); (M+H)+MelatoninME193710896-8.989-
MELIBIOSE (CAS# 585-99-9); (M+K)+MelibioseME193711440658-0.666-
MELIBIOSE (CAS# 585-99-9); (M+NA)+MelibioseME193712440658-0.677-
METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+NA)...Methyl beta-D-galactosideME19371394214-0.689-
METHYLGUANIDINE (CAS# 471-29-4); (M+H)+MethylguanidineME19371510111-0.699-
METHYL JASMONATE (CAS# 1211-29-6); (M+NA)+Methyl jasmonateME1937145281929-15.958-
METHYLMALONATE (CAS# 516-05-2); (M+NA)+Methylmalonic acidME193716487-1.332-
MEVALONIC ACID (CAS# 674-26-0); (M+NA)+[-H2O]Mevalonic acidME193717439230-1.676-
M-HYDROXYMANDELIC ACID (CAS# 17119-15-2); (M+NA)+3-Hydroxymandelic acidME19369986957-2.09-
MONO-METHYL GLUTARATE (CAS# 1501-27-5); (M+H)+[-H2...Monomethyl glutaric acidME19371873917-3.82-
MONO-METHYL GLUTARATE (CAS# 1501-27-5); (M+NA)+Monomethyl glutaric acidME19371973917-3.57-
MYO-INOSITOL (CAS# 87-89-8); (M+NA)+Myo-inositolME193720892-0.648-
N6-(DELTA2-ISOPENTENYL)-ADENINE (CAS# 2365-40-4); ...N6-(delta2-Isopentenyl)-adenineME19376892180-7.844-
N6-(DELTA2-ISOPENTENYL)-ADENINE (CAS# 2365-40-4); ...N6-(delta2-Isopentenyl)-adenineME19376992180-7.867-
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (2M+NA)+N-Acetyl-D-glucosamineME193722446101-0.716-
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+H)+N-Acetyl-D-glucosamineME193723446101-0.719-
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+H)+[-H...N-Acetyl-D-glucosamineME193724446101-0.776-
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+NA)+N-Acetyl-D-glucosamineME193725446101-0.712-
N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+H)+N-Acetylglutamic acidME193730185-1.327-
N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+H)+...N-Acetylglutamic acidME193731185-1.337-
N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+NA)...N-Acetylglutamic acidME193732185-1.524-
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+H)+N-AcetylmethionineME193733448580-4.105-
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+H)+[-H...N-AcetylmethionineME193734448580-4.076-
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+NA)+N-AcetylmethionineME193735448580-4.102-
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+H)+N-AcetylserineME19373665249-0.851-
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+H)+[-H2O]N-AcetylserineME19373765249-0.666-
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+NA)+N-AcetylserineME19373865249-0.642-
N-ACETYL-D-MANNOSAMINE (CAS# 3615-17-6); (M+H)+N-Acetyl-mannosamineME19372653477792-0.719-
N-ACETYL-D-MANNOSAMINE (CAS# 3615-17-6); (M+NA)+N-Acetyl-mannosamineME19372753477792-0.712-
N-ACETYL-D-TRYPTOPHAN (CAS# 2280-01-5); (M+H)+N-Acetyl-D-tryptophanME193728439917-7.917-
N-ACETYL-D-TRYPTOPHAN (CAS# 2280-01-5); (M+NA)+N-Acetyl-D-tryptophanME193729439917-7.98-
N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+H)+N-Acetyl-D-galactosamineME19374835717-0.719-
N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+H)+[-H2...N-Acetyl-D-galactosamineME19374935717-0.776-
N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+NA)+N-Acetyl-D-galactosamineME19375035717-0.712-
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M+H)+[-H2O]N-AcetylalanineME19373988064-1.232-
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M+NA)+N-AcetylalanineME19374088064-1.319-
N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M+H)+[-...N-Acetylaspartic acidME19374165065-0.848-
N-ACETYL-L-CYSTEINE (CAS# 616-91-1); (M+NA)+N-AcetylcysteineME19374212035-3.211-
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (2M+NA)+N-AcetylleucineME19374375619-7.17-
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M+H)+N-AcetylleucineME19374475619-7.201-
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M+NA)+N-AcetylleucineME19374575619-7.21-
N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M+H)+N-AcetylphenylalanineME19374674839-7.749-
N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M+NA)+N-AcetylphenylalanineME19374774839-7.751-
N-ACETYLNEURAMINATE (CAS# 131-48-6); (M+H)+N-Acetylneuraminic acidME193751439197-0.578-
N-ACETYLNEURAMINATE (CAS# 131-48-6); (M+NA)+N-Acetylneuraminic acidME193752439197-0.677-
N-ACETYLSEROTONIN (CAS# 1210-83-9); (2M+H)+N-AcetylserotoninME193753903-4.676-
N-ACETYLSEROTONIN (CAS# 1210-83-9); (2M+NA)+N-AcetylserotoninME193754903-5.002-
NAD (CAS# 53-84-9); (M+2H)+2NAD+ME1937705893-1.05-
NAD (CAS# 53-84-9); (M+H)+NAD+ME1937715893-1.029-
NAD (CAS# 53-84-9); (M+NA)+NAD+ME1937725893-1.029-
N-ALPHA-ACETYL-L-ASPARAGINE (CAS# 4033-40-3); (M+H...N-AcetylasparagineME19375599715-0.656-
N-ALPHA-ACETYL-L-LYSINE (CAS# 1946-82-3); (M+H)+N(2)-AcetyllysineME19375692907-0.981-
NAPROXEN (CAS# 22204-53-1); (M+H)+NaproxenME193773156391-15.753-
NAPROXEN (CAS# 22204-53-1); (M+NA)+NaproxenME193774156391-15.76-
N-BOC-D-GLUCOSAMINE (CAS# 75251-80-8); (2M+NA)+-ME19375713998612-5.072-
N-CYCLOHEXYLFORMAMIDE (CAS# 766-93-8); (M+H)+N-CyclohexylformamideME19375813017-7.96-
N-CYCLOHEXYLFORMAMIDE (CAS# 766-93-8); (M+NA)+N-CyclohexylformamideME19375913017-7.958-
N-ETHYLMALEIMIDE (CAS# 128-53-0); (M+H)+N-EthylmaleimideME1937604362-3.551-
NICOTINAMIDE (CAS# 98-92-0); (M+H)+NiacinamideME193775936-1.184-
NICOTINAMIDE MONONUCLEOTIDE (CAS# 1094-61-7); (M+N...Nicotinamide ribotideME19377614180-0.543-
NICOTINE (CAS# 54-11-5); (M+H)+NicotineME193777157672-1.465-
NICOTINIC ACID ADENINE DINUCLEOTIDE PHOSPHATE (CAS...NAADPME19377852942300-1.562-
NICOTINIC ACID ADENINE DINUCLEOTIDE PHOSPHATE (CAS...NAADPME19377952942300-1.393-
N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M+H)+N-Methyl-D-aspartic acidME1937614376-0.709-
N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M+NA)+N-Methyl-D-aspartic acidME1937624376-0.642-
N-METHYL-L-GLUTAMATE (CAS# 6753-62-4); (M+H)+[-H2O...N-Methyl-glutamic acidME193763439377-2.054-
N-METHYLNICOTINATE (CAS# 535-83-1); (M+H)+TrigonellineME1937645570-0.726-
N-METHYLTRYPTAMINE (CAS# 61-49-4); (M+NA)+N-MethyltryptamineME1937656088-4-
N-OLEOYLGLYCINE (CAS# 2601-90-3); (M+H)+N-Oleoyl glycineME1937666436908-22.763-
N-OLEOYLGLYCINE (CAS# 2601-90-3); (M+NA)+N-Oleoyl glycineME1937676436908-22.557-
NONANOATE (CAS# 112-05-0); (M+NA)+Pelargonic acidME1937808158-13.152-
NORADRENALINE (CAS# 51-41-2); (M+H)+Xi-NorepinephrineME193781951-0.899-
NORADRENALINE (CAS# 51-41-2); (M+H)+[-H2O]Xi-NorepinephrineME193782951-0.823-
NORLEUCINE (CAS# 327-57-1); (M+H)+NorleucineME19378321236-1.739-
NORMETANEPHRINE (CAS# 0); (M+H)+NormetanephrineME193784688100-2.595-
NORMETANEPHRINE (CAS# 0); (M+H)+[-H2O]NormetanephrineME193785688100-2.519-
NORVALINE (CAS# 6600-40-4); M+[-CO2H]NorvalineME19378765098-0.615-
NORVALINE (CAS# 6600-40-4); (M+H)+NorvalineME19378665098-0.82-
N(PAI)-METHYL-L-HISTIDINE (CAS# 332-80-9); (M+H)+3-MethylhistidineME19372164969-0.685-
O-ACETYLCARNITINE (CAS# 461-77-8); (M+H)+CAR 2:0ME19378818230-0.988-
OLEAMIDE (CAS# 301-02-0); (M+H)+OleamideME1937965283387-22.632-
OLEAMIDE (CAS# 301-02-0); (M+NA)+OleamideME1937975283387-22.626-
OLEIC ACID (CAS# 112-80-1); (M+H)+Oleic acidME193798445639-22.504-
OLEIC ACID (CAS# 112-80-1); (M+NA)+Oleic acidME193799445639-22.521-
O-PHOSPHO-DL-SERINE (CAS# 17885-08-4); (2M+H)+DL-O-PhosphoserineME193789106-0.737-
O-PHOSPHO-DL-SERINE (CAS# 17885-08-4); (2M+NA)+DL-O-PhosphoserineME193790106-1.003-
O-PHOSPHO-DL-SERINE (CAS# 17885-08-4); (M+H)+DL-O-PhosphoserineME193791106-0.644-
O-PHOSPHO-DL-SERINE (CAS# 17885-08-4); (M+NA)+DL-O-PhosphoserineME193792106-0.637-
O-PHOSPHOSERINE (CAS# 407-41-0); (M+H)+PhosphoserineME19379368841-0.643-
O-PHOSPHOSERINE (CAS# 407-41-0); (M+NA)+PhosphoserineME19379468841-0.637-
OPHTHALMIC ACID (CAS# 495-27-2); (M+H)+Ophthalmic acidME1938007018721-1.322-
OROTATE (CAS# 65-86-1); (M+H)+Orotic acidME193801967-1.001-
O-SUCCINYL-L-HOMOSERINE (CAS# 1492-23-5); (M+H)+o-SuccinylhomoserineME193795439406-0.647-
OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M+2H)+2Oxidized glutathioneME19380265359-1.413-
OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M+H)+Oxidized glutathioneME19380365359-1.362-
PALATINOSE (CAS# 343336-76-5); (M+NA)+PalatinoseME193804439559-0.678-
PALMITOYLCARNITINE (CAS# 2364-67-2); (M+H)+CAR 16:0ME19380511953816-21.335-
PALMITOYLCARNITINE (CAS# 2364-67-2); (M+NA)+CAR 16:0ME19380611953816-21.337-
PANTOTHENATE (CAS# 79-83-4); (M+H)+Pantothenic acidME1938076613-3.294-
PANTOTHENATE (CAS# 79-83-4); (M+NA)+Pantothenic acidME1938086613-3.296-
PARAXANTHINE (CAS# 611-59-6); (M+NA)+ParaxanthineME1938094687-4.499-
PHENETHYLAMINE (CAS# 64-04-0); (M+H)+PhenylethylamineME1938101001-2.857-
PHENYL ACETATE (CAS# 122-79-2); (M+H)+Phenylacetic acidME193811999-3.902-
PHENYLACETIC ACID (CAS# 103-82-2); (M+H)+Phenylacetic acidME193812999-3.902-
PHENYLALANINE (CAS# 63-91-2); (M+H)+PhenylalanineME1938136140-2.514-
PHENYLALANINE (CAS# 63-91-2); (M+NA)+PhenylalanineME1938146140-2.503-
PHENYLEPHRINE (CAS# 59-42-7); (M+H)+PhenylephrineME1938156041-1.101-
PHENYLETHANOLAMINE (CAS# 7568-93-6); (M+H)+2-HydroxyphenethylamineME1938161000-1.501-
PHENYLETHANOLAMINE (CAS# 7568-93-6); (M+H)+[-H2O]2-HydroxyphenethylamineME1938171000-2.108-
PHENYLHYDRAZINE (CAS# 100-63-0); (M+H)+PhenylhydrazineME1938187516-3.487-
PHTHALATE (CAS# 88-99-3); (M+H)+Phthalic acidME1938191017-4.924-
PHTHALATE (CAS# 88-99-3); (M+NA)+Phthalic acidME1938201017-4.929-
PINITOL (CAS# 10284-63-6); (M+NA)+PinitolME193821164619-0.689-
PIPECOLATE (CAS# 535-75-1); (M+H)+Pipecolic acidME193822849-0.634-
PIPECOLATE (CAS# 535-75-1); (M+NA)+Pipecolic acidME193823849-0.777-
PREGNENOLONE (CAS# 145-13-1); (M+H)+[-H2O]PregnenoloneME1938248955-20.527-
PROCOLLAGEN 5-HYDROXY-L-LYSINE (CAS# 1190-94-9); (...-ME19382583228-0.559-
PROCOLLAGEN 5-HYDROXY-L-LYSINE (CAS# 1190-94-9); (...-ME19382683228-0.652-
PROGESTERONE (CAS# 57-83-0); (M+H)+ProgesteroneME1938275994-19.827-
PROLINE (CAS# 147-85-3); (M+H)+ProlineME193828145742-0.592-
PROLINE (CAS# 147-85-3); (M+NA)+ProlineME193829145742-0.637-
PROSTAGLANDIN E2 (CAS# 363-24-6); (M+H)+PGE2ME1938305280360-16.756-
PROSTAGLANDIN E2 (CAS# 363-24-6); (M+H)+[-H2O]PGE2ME1938315280360-16.846-
PROSTAGLANDIN E2 (CAS# 363-24-6); (M+NA)+PGE2ME1938325280360-16.763-
PROTOPORPHYRIN (CAS# 553-12-8); (M+H)+ProtoporphyrinME1938334971-22.859-
PTERIN (CAS# 2236-60-4); (M+H)+PterinME19383473000-1.737-
PUTRESCINE (CAS# 110-60-1); (M+H)+PutrescineME1938351045-0.514-
PUTRESCINE (CAS# 110-60-1); (M+NA)+PutrescineME1938361045-0.566-
PYRIDOXAL (CAS# 66-72-8); (M+H)+PyridoxalME1938371050-1.162-
PYRIDOXAMINE (CAS# 85-87-0); (M+H)+PyridoxamineME1938381052-0.679-
PYRIDOXINE (CAS# 65-23-6); (M+H)+PyridoxineME1938391054-1.12-
QUINATE (CAS# 77-95-2); (M+NA)+Quinic acidME1938406508-1.087-
QUINOLIN-2-OL (CAS# 59-31-4); (M+H)+2-HydroxyquinolineME1938416038-7.685-
QUINOLIN-2-OL (CAS# 59-31-4); (M+NA)+2-HydroxyquinolineME1938426038-7.686-
RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+H)+MG 14:0ME19384379050-22.06-
RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+H)+...MG 14:0ME19384479050-22.049-
RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+NA)...MG 14:0ME19384579050-22.115-
RAFFINOSE (CAS# 512-69-6); (M+K)+RaffinoseME193846439242-0.618-
RAFFINOSE (CAS# 512-69-6); (M+NA)+RaffinoseME193847439242-0.721-
RIBITOL (CAS# 488-81-3); (M+H)+RibitolME19384894154-0.778-
RIBOFLAVIN (CAS# 83-88-5); (2M+NA)+RiboflavinME193849493570-7.619-
RIBOFLAVIN (CAS# 83-88-5); (M+H)+RiboflavinME193850493570-7.619-
RIBOFLAVIN (CAS# 83-88-5); (M+NA)+RiboflavinME193851493570-7.617-
RIBOSE 5-PHOSPHATE (CAS# 4300-28-1); (M+NA)+Ribose 5-phosphateME193853439167-0.675-
RIBOSE (CAS# 50-69-1); (M+NA)+RiboseME1938525779-0.74-
ROSMARINIC ACID (CAS# 20283-92-5); (2M+NA)+Rosmarinic acidME193854639655-10.297-
(S)-2-AMINO-3-(3-HYDOXY-4-OXO-4H-PYRIDIN-1-YL)PROP...MimosineME193361440473-0.949-
(S)-2-AMINO-3-(3-HYDOXY-4-OXO-4H-PYRIDIN-1-YL)PROP...MimosineME193362440473-0.656-
S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M+H)+S-AdenosylhomocysteineME193855439155-1.493-
S-ADENOSYLMETHIONINE (CAS# 29908-03-0); (M+H)+S-AdenosylmethionineME19385634755-0.678-
SALICYLURIC ACID (CAS# 487-54-7); (M+NA)+Salicyluric acidME19385710253-6.367-
(-)-SALSOLINOL (CAS# 27740-96-1); (M+H)+SalsolinolME1933607157331-1.395-
SARCOSINE (CAS# 107-97-1); (M+H)+SarcosineME1938581088-0.676-
(S)-DIHYDROOROTATE (CAS# 5988-19-2); (M+H)+4,5-Dihydroorotic acidME1933631149667-0.897-
SELENOCYSTAMINE (CAS# 2697-61-2); (M+H)+-ME193859115119-0.52-
SERINE (CAS# 56-45-1); (M+H)+SerineME193860617-1.002-
SEROTONIN (CAS# 50-67-9); (M+H)+SerotoninME1938615202-1.742-
SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+...sn-Glycero-3-phosphocholineME193862439285-0.649-
SPERMIDINE (CAS# 124-20-9); (M+H)+SpermidineME1938631102-0.521-
SPERMIDINE (CAS# 124-20-9); (M+NA)+SpermidineME1938641102-0.574-
SPERMINE (CAS# 71-44-3); (M+H)+SpermineME1938651103-0.572-
SPHINGANINE (CAS# 764-22-7); (M+H)+SphinganineME193866644260-20.806-
SPHINGOSINE (CAS# 123-78-4); (M+H)+SphingosineME1938675280335-20.442-
SPHINGOSINE (CAS# 123-78-4); (M+H)+[-H2O]SphingosineME1938685280335-20.49-
STACHYOSE (CAS# 54261-98-2); (M+K)+StachyoseME193869439531-0.749-
STACHYOSE (CAS# 54261-98-2); (M+NA)+StachyoseME193870439531-0.726-
SUBERIC ACID (CAS# 505-48-6); (M+H)+[-H2O]Suberic acidME19387110457-8.243-
SUBERIC ACID (CAS# 505-48-6); (M+NA)+Suberic acidME19387210457-8.277-
SUCROSE (CAS# 57-50-1); (M+NA)+SucroseME1938735988-0.676-
TAURINE (CAS# 107-35-7); (M+K)+TaurineME1938741123-0.362-
TAUROCHOLATE (CAS# 81-24-3); (M+H)+[-H2O]Taurocholic acidME1938756675-18.429-
TAUROCHOLATE (CAS# 81-24-3); (M+NA)+Taurocholic acidME1938766675-18.32-
TAUROLITHOCHOLATE (CAS# 516-90-5); (2M+H)+Taurolithocholic acidME193877439763-22.036-
TAUROLITHOCHOLATE (CAS# 516-90-5); (M+H)+Taurolithocholic acidME193878439763-21.84-
TAUROLITHOCHOLATE (CAS# 516-90-5); (M+H)+[-H2O]Taurolithocholic acidME193879439763-21.746-
TAUROLITHOCHOLATE (CAS# 516-90-5); (M+NA)+Taurolithocholic acidME193880439763-21.873-
THEOBROMINE (CAS# 83-67-0); (M+NA)+TheobromineME1938815429-3.609-
THEOPHYLLINE (CAS# 58-55-9); (M+NA)+TheophyllineME1938822153-4.499-
THIAMIN (CAS# 59-43-8); M+ThiamineME1938831130-0.662-
THIAMIN (CAS# 59-43-8); M+[-C6H9NOS]ThiamineME1938841130-0.674-
THIAMIN MONOPHOSPHATE (CAS# 532-40-1); (M+H)+Thiamine monophosphateME1938853382778-0.665-
THREONINE (CAS# 72-19-5); (M+H)+[-H2O]ThreonineME1938866288-0.849-
THROMBOXANE B2 (CAS# 54397-85-2); (M+H)+[-H2O]TXB2ME1938875283137-16.756-
THROMBOXANE B2 (CAS# 54397-85-2); (M+NA)+TXB2ME1938885283137-16.73-
THYMIDINE (CAS# 50-89-5); (M+H)+ThymidineME1938895789-2.455-
THYMINE (CAS# 65-71-4); (M+H)+ThymineME1938901135-1.755-
THYROTROPIN RELEASING HORMONE (CAS# 24305-27-9); (...Thyrotropin releasing hormoneME193891638678-1.401-
THYROTROPIN RELEASING HORMONE (CAS# 24305-27-9); (...Thyrotropin releasing hormoneME193892638678-1.523-
THYROXINE (CAS# 51-48-9); (M+H)+ThyroxineME1938935819-16.18-
TRANS-3'-HYDROXYCOTININE (CAS# 34834-67-8); (M+H)+trans-3-HydroxycotinineME193894107963-0.967-
TRANS-4-HYDROXYPROLINE (CAS# 51-35-4); (M+H)+trans-4-HydroxyprolineME1938955810-0.847-
TRICARBALLYLIC ACID (CAS# 99-14-9); (M+H)+[-H2O]1,2,3-Propanetricarboxylic acidME19389614925-1.105-
TRIIODOTHYRONINE (CAS# 6893-02-3); (M+H)+LiothyronineME1938975920-14.076-
TRIMETHYLAMINE (CAS# 75-50-3); (M+H)+TrimethylamineME1938981146-0.688-
TRYPTAMINE (CAS# 61-54-1); (M+H)+TryptamineME1938991150-3.769-
TRYPTOPHAN (CAS# 73-22-3); (M+H)+TryptophanME1939006305-3.615-
TRYPTOPHAN (CAS# 73-22-3); (M+NA)+TryptophanME1939016305-3.628-
TYRAMINE (CAS# 51-67-2); (M+H)+TyramineME1939025610-1.37-
TYROSINE (CAS# 60-18-4); (M+H)+TyrosineME1939036057-1.416-
TYROSINE (CAS# 60-18-4); (M+NA)+TyrosineME1939046057-1.31-
UDP-N-ACETYL-D-GALACTOSAMINE (CAS# ); (M+H)+[-H2O]UDP-N-acetylgalactosamineME19390523724461-1.224-
UDP-N-ACETYL-D-GALACTOSAMINE (CAS# ); (M+NA)+UDP-N-acetylgalactosamineME19390623724461-1.009-
UDP-N-ACETYL-D-GLUCOSAMINE (CAS# 528-04-1); (M+H)+UDP-N-acetylglucosamineME193907445675-1.327-
UDP-N-ACETYL-D-GLUCOSAMINE (CAS# 528-04-1); (M+NA)...UDP-N-acetylglucosamineME193908445675-1.308-
URACIL 5-CARBOXYLATE (CAS# 23945-44-0); (M+H)+Uracil-5-carboxylic acidME1939096971263-1.001-
URACIL 5-CARBOXYLATE (CAS# 23945-44-0); (M+H)+[-H2...Uracil-5-carboxylic acidME1939106971263-0.982-
URIDINE-5-MONOPHOSPHATE (CAS# 58-97-9); (2M+H)+UMPME1939116030-0.757-
URIDINE-5-MONOPHOSPHATE (CAS# 58-97-9); (2M+NA)+UMPME1939126030-0.904-
URIDINE-5-MONOPHOSPHATE (CAS# 58-97-9); (M+H)+UMPME1939136030-0.91-
UROCANATE (CAS# 104-98-3); (M+H)+Urocanic acidME193914736715-1.076-
URSODIOL (CAS# 128-13-2); (M+NA)+Ursodeoxycholic acidME19391531401-21.698-
VALINE (CAS# 72-18-4); (M+H)+ValineME1939166287-0.8-
VALINE (CAS# 72-18-4); (M+NA)+ValineME1939176287-0.74-
XANTHINE (CAS# 69-89-6); (M+H)+XanthineME1939181188-1.279-
XANTHOSINE 5'-PHOSPHATE (CAS# 523-98-8); (M+H)+XMPME19392173323-1.244-
XANTHOSINE (CAS# 146-80-5); (M+H)+XanthosineME19391964959-2.303-
XANTHOSINE (CAS# 146-80-5); (M+NA)+XanthosineME19392064959-2.416-
XANTHURENIC ACID (CAS# 59-00-7); (M+H)+Xanthurenic acidME1939225699-4.64-
ZEATIN [ISTD] (CAS# 13114-27-7); (M+H)+trans-ZeatinME193923449093-3.905-


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