Exact Mass: 231.1138

Exact Mass Matches: 231.1138

Found 104 metabolites which its exact mass value is equals to given mass value 231.1138, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Fenfluramine

Ethyl-[1-methyl-2-(3-trifluoromethyl-phenyl)-ethyl]-amine

C12H16F3N (231.1235)


A - Alimentary tract and metabolism > A08 - Antiobesity preparations, excl. diet products > A08A - Antiobesity preparations, excl. diet products > A08AA - Centrally acting antiobesity products D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics C78272 - Agent Affecting Nervous System > C29728 - Anorexiant D049990 - Membrane Transport Modulators KEIO_ID F016; [MS2] KO009107 KEIO_ID F016

   

Dexfenfluramine

ethyl[(2S)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]amine

C12H16F3N (231.1235)


Dexfenfluramine, also marketed under the name Redux, is a serotoninergic anorectic drug. It was for some years in the mid-1990s approved by the United States Food and Drug Administration for the purposes of weight loss. However, following multiple concerns about the cardiovascular side-effects of the drug, such approval was withdrawn. A - Alimentary tract and metabolism > A08 - Antiobesity preparations, excl. diet products > A08A - Antiobesity preparations, excl. diet products > A08AA - Centrally acting antiobesity products D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics C78272 - Agent Affecting Nervous System > C29728 - Anorexiant D049990 - Membrane Transport Modulators

   

Asparaginyl-Valine

2-{[2-amino-1-hydroxy-3-(C-hydroxycarbonimidoyl)propylidene]amino}-3-methylbutanoate

C9H17N3O4 (231.1219)


Asparaginyl-Valine is a dipeptide composed of asparagine and valine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.

   

Valylasparagine

(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-carbamoylpropanoic acid

C9H17N3O4 (231.1219)


Valylasparagine is a dipeptide composed of valine and asparagine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.

   

Isovalerylglutamic acid

(2S)-2-[(1-Hydroxy-3-methylbutylidene)amino]pentanedioate

C10H17NO5 (231.1107)


Isovalerylglutamic acid is an unusual mtabolite that has been found in the urine of patients with Isovaleric Acidemia due to Isovaleryl-CoA Dehydrogenase Deficiency (OMMBID: The Metabolic and Molecular Bases of Inherited Disease, Ch.93: Branched Chain Organic Acidurias). and in Multiple acyl-Co A dehydrogenation deficiency (MADD) (PMID 6862997). Isovalerylglutamate is a biomarker for the consumption of cheese. Isovalerylglutamic acid is an unusual mtabolite that has been found in the urine of patients with Isovaleric Acidemia due to Isovaleryl-CoA Dehydrogenase Deficiency (OMMBID: The Metabolic and Molecular Bases of Inherited Disease, Ch.93: Branched Chain Organic Acidurias)

   

Suberylglycine

7-[(Carboxymethyl)-C-hydroxycarbonimidoyl]heptanoate

C10H17NO5 (231.1107)


Suberylglycine is an acyl glycine. Acyl glycines are normally minor metabolites of fatty acids. However, the excretion of certain acyl glycines is increased in several inborn errors of metabolism. In certain cases the measurement of these metabolites in body fluids can be used to diagnose disorders associated with mitochondrial fatty acid beta-oxidation. Acyl glycines are produced through the action of glycine N-acyltransferase (EC 2.3.1.13) which is an enzyme that catalyzes the chemical reaction: acyl-CoA + glycine < -- > CoA + N-acylglycineSuberylglycine is a dicarboxylic acid. It is formed by glycine-N-acylase catalyzed conjugation (PMID 947635). It can be used for the diagnosis of hereditary medium-chain acyl-CoA dehydrogenase deficiency (PMID 2775902). Suberylglycine is found to be associated with propionic acidemia, which is an inborn error of metabolism. Suberylglycine is an acyl glycine. Acyl glycines are normally minor metabolites of fatty acids. However, the excretion of certain acyl glycines is increased in several inborn errors of metabolism. In certain cases the measurement of these metabolites in body fluids can be used to diagnose disorders associated with mitochondrial fatty acid beta-oxidation. Acyl glycines are produced through the action of glycine N-acyltransferase (EC 2.3.1.13) which is an enzyme that catalyzes the chemical reaction:

   

Ala-Ala-Ala

2-({2-[(2-amino-1-hydroxypropylidene)amino]-1-hydroxypropylidene}amino)propanoate

C9H17N3O4 (231.1219)


   

(2S)-2-Amino-7-(1-aminoethylideneamino)-5-sulfanylideneheptanoic acid

(2S)-2-Amino-7-(1-aminoethylideneamino)-5-sulphanylideneheptanoic acid

C9H17N3O2S (231.1041)


   

N-(8-methoxy-4-methylquinazolin-2-yl)guanidine

N-(8-methoxy-4-methylquinazolin-2-yl)guanidine

C11H13N5O (231.112)


   
   
   
   

QUINAMIDE ISOPROPYLIDENE

QUINAMIDE ISOPROPYLIDENE

C10H17NO5 (231.1107)


   

N-(N-Glycylglycyl)-DL-valine

N-(N-Glycylglycyl)-DL-valine

C9H17N3O4 (231.1219)


   

fenfluramine

fenfluramine hydrochloride

C12H16F3N (231.1235)


A - Alimentary tract and metabolism > A08 - Antiobesity preparations, excl. diet products > A08A - Antiobesity preparations, excl. diet products > A08AA - Centrally acting antiobesity products D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics C78272 - Agent Affecting Nervous System > C29728 - Anorexiant D049990 - Membrane Transport Modulators CONFIDENCE Parent Substance with Reference Standard (Level 1); INTERNAL_ID 600 CONFIDENCE standard compound; INTERNAL_ID 2248

   

Isovalerylglutamic acid

Isovalerylglutamic acid

C10H17NO5 (231.1107)


   

Suberylglycine

Suberylglycine

C10H17NO5 (231.1107)


   
   

Dexfenfluramine

(S)-fenfluramine

C12H16F3N (231.1235)


A - Alimentary tract and metabolism > A08 - Antiobesity preparations, excl. diet products > A08A - Antiobesity preparations, excl. diet products > A08AA - Centrally acting antiobesity products D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist

   

SUBERYL GLYCINE

SUBERYL GLYCINE

C10H17NO5 (231.1107)


   
   
   
   
   
   
   

(1H-Indol-4-yl)-Carbamic Acid tert-butyl ester

1H-indol-4-yl-carbamic acid, 1,1-dimethylethyl ester

C13H15N2O2 (231.1133)


   

Asn-val

2-(2-amino-3-methylbutanamido)-3-carbamoylpropanoic acid

C9H17N3O4 (231.1219)


A dipeptide formed from L-asparagine and L-valine residues.

   

Val-asn

2-(2-amino-3-carbamoylpropanamido)-3-methylbutanoic acid

C9H17N3O4 (231.1219)


A dipeptide formed from L-valine and L-asparagine residues.

   

4-BENZO[B]THIOPHEN-3-YL-1-METHYL-PIPERIDINE

4-BENZO[B]THIOPHEN-3-YL-1-METHYL-PIPERIDINE

C14H17NS (231.1082)


   

4-(1-Naphthylvinyl)pyridine

4-(1-Naphthylvinyl)pyridine

C17H13N (231.1048)


   

2-Naphthalenamine,N-(phenylmethylene)-

2-Naphthalenamine,N-(phenylmethylene)-

C17H13N (231.1048)


   

(R)-N-Boc-Morpholine-3-carboxylic acid

(R)-N-Boc-Morpholine-3-carboxylic acid

C10H17NO5 (231.1107)


   

9-methyl-7(h)-benzo[c]carbazole

9-methyl-7(h)-benzo[c]carbazole

C17H13N (231.1048)


   

4-Boc-2-morpholinecarboxylic Acid

4-Boc-2-morpholinecarboxylic Acid

C10H17NO5 (231.1107)


   

Gly-Gly-Val-OH

(S)-2-(2-(2-Aminoacetamido)acetamido)-3-methylbutanoic acid

C9H17N3O4 (231.1219)


   

(S)-2-ACETAMIDO-4-(TERT-BUTOXY)-4-OXOBUTANOIC ACID

(S)-2-ACETAMIDO-4-(TERT-BUTOXY)-4-OXOBUTANOIC ACID

C10H17NO5 (231.1107)


   

(5-FLUORO-1H-INDAZOL-3-YL)-ACETICACID

(5-FLUORO-1H-INDAZOL-3-YL)-ACETICACID

C14H14FNO (231.1059)


   

(2,2-DIMETHYL-1-METHYLENEPROPOXY)TRIMETHYLSILANE

(2,2-DIMETHYL-1-METHYLENEPROPOXY)TRIMETHYLSILANE

C12H16F3N (231.1235)


   

3-((TERT-BUTOXYCARBONYL)AMINO)TETRAHYDROFURAN-3-CARBOXYLIC ACID

3-((TERT-BUTOXYCARBONYL)AMINO)TETRAHYDROFURAN-3-CARBOXYLIC ACID

C10H17NO5 (231.1107)


   

(2S,3R)-1-(TERT-BUTOXYCARBONYL)-3-HYDROXYPYRROLIDINE-2-CARBOXYLIC ACID

(2S,3R)-1-(TERT-BUTOXYCARBONYL)-3-HYDROXYPYRROLIDINE-2-CARBOXYLIC ACID

C10H17NO5 (231.1107)


   

8-Oxa-2-azaspiro[4.5]decane

8-Oxa-2-azaspiro[4.5]decane

C10H17NO5 (231.1107)


   

D-ALA-ALA-ALA

D-ALA-ALA-ALA

C9H17N3O4 (231.1219)


   

2,6-DIPHENYLPYRIDINE

2,6-DIPHENYLPYRIDINE

C17H13N (231.1048)


   

4-(3-Isopropyl-1,2,4-oxadiazol-5-yl)piperidine hydrochloride

4-(3-Isopropyl-1,2,4-oxadiazol-5-yl)piperidine hydrochloride

C10H18ClN3O (231.1138)


   

10-Methyl-7H-benzo[c]carbazole

10-Methyl-7H-benzo[c]carbazole

C17H13N (231.1048)


   

2-Fluoro-N-methyl-6-phenoxybenzylamine hydrochloride,

2-Fluoro-N-methyl-6-phenoxybenzylamine hydrochloride,

C14H14FNO (231.1059)


   

N-BOC-5-AMINOLEVULINIC ACID

N-BOC-5-AMINOLEVULINIC ACID

C10H17NO5 (231.1107)


   

(2S,3S)-1-(TERT-BUTOXYCARBONYL)-3-HYDROXYPYRROLIDINE-2-CARBOXYLIC ACID

(2S,3S)-1-(TERT-BUTOXYCARBONYL)-3-HYDROXYPYRROLIDINE-2-CARBOXYLIC ACID

C10H17NO5 (231.1107)


   

N-BOC-cis-4-Hydroxy-L-proline

N-BOC-cis-4-Hydroxy-L-proline

C10H17NO5 (231.1107)


   

N-Boc-cis-4-Hydroxy-D-proline

N-Boc-cis-4-Hydroxy-D-proline

C10H17NO5 (231.1107)


   

N-tert-Butoxycarbonyl-trans-4-hydroxy-D-proline

N-tert-Butoxycarbonyl-trans-4-hydroxy-D-proline

C10H17NO5 (231.1107)


   

2-Pyridinethiol,1,4-dihydro-4,4,6-trimethyl-1-phenyl-

2-Pyridinethiol,1,4-dihydro-4,4,6-trimethyl-1-phenyl-

C14H17NS (231.1082)


   

8-Methyl-11H-benzo[a]carbazole

8-Methyl-11H-benzo[a]carbazole

C17H13N (231.1048)


   

2-cyclohexyl-6-methyl-1,3-benzothiazole

2-cyclohexyl-6-methyl-1,3-benzothiazole

C14H17NS (231.1082)


   

4-(4-phenylphenyl)pyridine

4-(4-phenylphenyl)pyridine

C17H13N (231.1048)


   

2-(Piperidin-4-yl)-5-(pyrazin-2-yl)-1,3,4-oxadiazole

2-(Piperidin-4-yl)-5-(pyrazin-2-yl)-1,3,4-oxadiazole

C11H13N5O (231.112)


   

boc-cis-3-hydroxy-d-proline

boc-cis-3-hydroxy-d-proline

C10H17NO5 (231.1107)


   

(2,2-DIMETHYL-[1,3]-DIOXOLAN-4-YL)-METHYLAMINE

(2,2-DIMETHYL-[1,3]-DIOXOLAN-4-YL)-METHYLAMINE

C12H16F3N (231.1235)


   

1-[2-(4-FLUOROPHENOXY)PHENYL]-N-METHYLMETHYLAMINE

1-[2-(4-FLUOROPHENOXY)PHENYL]-N-METHYLMETHYLAMINE

C14H14FNO (231.1059)


   
   

8-methyl-7(h)-benzo[c]carbazole

8-methyl-7(h)-benzo[c]carbazole

C17H13N (231.1048)


   

2-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)pyrazine

2-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)pyrazine

C11H13N5O (231.112)


   

Ac-Asp(OtBu)-OH

Ac-Asp(OtBu)-OH

C10H17NO5 (231.1107)


   

2,4-Diphenylpyridine

2,4-Diphenylpyridine

C17H13N (231.1048)


   

2,5-Diphenylpyridine

2,5-Diphenylpyridine

C17H13N (231.1048)


   

3,5-Diphenylpyridine

3,5-Diphenylpyridine

C17H13N (231.1048)


   

N-naphthalen-1-yl-1-phenylmethanimine

N-naphthalen-1-yl-1-phenylmethanimine

C17H13N (231.1048)


   

Ala-Ala-Ala

H-Ala-Ala-Ala-OH

C9H17N3O4 (231.1219)


A tripeptide composed of three L-alanine units joined by peptide linkages.

   

2-cyanopyrimidine-5-boronic acid pinacol ester

2-cyanopyrimidine-5-boronic acid pinacol ester

C11H14BN3O2 (231.1179)


   

N-(2-Fluorobenzyl)-3-Methoxyaniline

N-(2-Fluorobenzyl)-3-Methoxyaniline

C14H14FNO (231.1059)


   

Glycine, N-[(1,1-diMethylethoxy)carbonyl]-N-(2-oxoethyl)-Methyl ester

Glycine, N-[(1,1-diMethylethoxy)carbonyl]-N-(2-oxoethyl)-Methyl ester

C10H17NO5 (231.1107)


   

Diethyl acetyl aspartate

N-ACETYL-L-ASPARTIC ACID DIETHYL ESTER

C10H17NO5 (231.1107)


   

(3R,4S)-(-)-1-BENZYL-3,4-PYRROLIDINDIOL

(3R,4S)-(-)-1-BENZYL-3,4-PYRROLIDINDIOL

C10H17NO5 (231.1107)


   

morpholine-3,4-dicarboxylic acid 4-tert-butyl ester

morpholine-3,4-dicarboxylic acid 4-tert-butyl ester

C10H17NO5 (231.1107)


   
   

1-BOC-(3-CARBOXYMETHOXY)AZETIDINE

1-BOC-(3-CARBOXYMETHOXY)AZETIDINE

C10H17NO5 (231.1107)


   

H-D-Ala-D-Ala-D-Ala-OH

H-D-Ala-D-Ala-D-Ala-OH

C9H17N3O4 (231.1219)


   

4-Boc-3(S)-morpholinecarboxylic acid

4-Boc-3(S)-morpholinecarboxylic acid

C10H17NO5 (231.1107)


   

(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoic acid

(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoic acid

C9H17N3O4 (231.1219)


   

2-Styrylquinoline

2-Styrylquinoline

C17H13N (231.1048)


   

levofenfluramine

levofenfluramine

C12H16F3N (231.1235)


C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist

   

Asparaginyl-Valine

Asparaginyl-Valine

C9H17N3O4 (231.1219)


   

H-Val-gly-gly-OH

H-Val-gly-gly-OH

C9H17N3O4 (231.1219)


   
   

2-Methyl-4-((trimethylsilyl)oxy)quinoline

2-Methyl-4-((trimethylsilyl)oxy)quinoline

C13H17NOSi (231.1079)


   

10-(Methylthio)-2-oxodecanoate

10-(Methylthio)-2-oxodecanoate

C11H19O3S- (231.1055)


   

N-(3-oxohexanoyl)-L-homoserine

N-(3-oxohexanoyl)-L-homoserine

C10H17NO5 (231.1107)


   

1-Spiro[2,4-dihydroisoquinoline-3,1-cyclohexane]thione

1-Spiro[2,4-dihydroisoquinoline-3,1-cyclohexane]thione

C14H17NS (231.1082)


   

2-(4-methoxyphenyl)-N-(1,2,4-triazol-4-yl)ethanimidamide

2-(4-methoxyphenyl)-N-(1,2,4-triazol-4-yl)ethanimidamide

C11H13N5O (231.112)


   

cis-2-Styrylquinoline

cis-2-Styrylquinoline

C17H13N (231.1048)


   

4-(n-Maleimido)phenyltrimethylammonium

4-(n-Maleimido)phenyltrimethylammonium

C13H15N2O2+ (231.1133)


   

N-Isovalerylglutamic acid

N-Isovalerylglutamic acid

C10H17NO5 (231.1107)


   
   
   
   
   
   
   

n-[(2e)-3-(2-imino-1,3-dihydroimidazol-4-yl)prop-2-en-1-yl]-1h-pyrrole-2-carboxamide

n-[(2e)-3-(2-imino-1,3-dihydroimidazol-4-yl)prop-2-en-1-yl]-1h-pyrrole-2-carboxamide

C11H13N5O (231.112)


   

2-methyl-2-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanenitrile

2-methyl-2-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanenitrile

C10H17NO5 (231.1107)


   

2-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanenitrile

2-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanenitrile

C10H17NO5 (231.1107)


   

(2s)-2-{[(2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-1-hydroxypropylidene]amino}propanoic acid

(2s)-2-{[(2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-1-hydroxypropylidene]amino}propanoic acid

C9H17N3O4 (231.1219)


   

2-(2-isopropylazirin-1-yl)-1-methyl-9h-purin-6-one

2-(2-isopropylazirin-1-yl)-1-methyl-9h-purin-6-one

C11H13N5O (231.112)