Exact Mass: 321.1244

Exact Mass Matches: 321.1244

Found 80 metabolites which its exact mass value is equals to given mass value 321.1244, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Dehydrohistidyltryptophyldiketopiperazine

Dehydrohistidyltryptophyldiketopiperazine

C17H15N5O2 (321.1226)


   

Niazirinin

(2S,3R,4S,5R,6S)-6-[4-(cyanomethyl)phenoxy]-4,5-dihydroxy-2-methyloxan-3-yl acetate

C16H19NO6 (321.1212)


Niazirinin is a nitrile glycoside that has been isolated from the leaves of Moringa oleifera (horseradish tree). Niazirin is found in brassicas. Constituent of the leaves of the horseradish tree (Moringa oleifera, Moringaceae). Niazirinin is found in brassicas.

   

(2R,3R,4E)-2,3-Dihydroxy-5-(methylsulfanyl)pent-4-enoylcarnitine

3-{[2,3-dihydroxy-5-(methylsulfanyl)pent-4-enoyl]oxy}-4-(trimethylazaniumyl)butanoate

C13H23NO6S (321.1246)


(2R,3R,4E)-2,3-dihydroxy-5-(methylsulfanyl)pent-4-enoylcarnitine is an acylcarnitine. More specifically, it is an (2R,3R,4E)-2,3-dihydroxy-5-(methylsulfanyl)pent-4-enoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. (2R,3R,4E)-2,3-dihydroxy-5-(methylsulfanyl)pent-4-enoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (2R,3R,4E)-2,3-dihydroxy-5-(methylsulfanyl)pent-4-enoylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].

   

5-Oxozaleplon

N-(3-{3-cyano-5-oxo-4H,5H-pyrazolo[1,5-a]pyrimidin-7-yl}phenyl)-N-ethylacetamide

C17H15N5O2 (321.1226)


   

Carboquone

{2-[2,5-bis(aziridin-1-yl)-4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl]-2-methoxyethoxy}carboximidic acid

C15H19N3O5 (321.1325)


L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents > L01AC - Ethylene imines C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D009676 - Noxae > D000477 - Alkylating Agents D000970 - Antineoplastic Agents

   

Vipadenant

3-[(4-amino-3-methylphenyl)methyl]-7-(furan-2-yl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine

C16H15N7O (321.1338)


D018377 - Neurotransmitter Agents > D058905 - Purinergic Agents > D058914 - Purinergic Antagonists C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent C308 - Immunotherapeutic Agent > C2139 - Immunostimulant Vipadenant (BIIB-014; CEB-4520) is an adenosine receptor antagonist, with Kis of 1.3 nM and 68 nM for A2A and A1, respectively.

   

indole-3-acetyl-phenylalanine

N-(1-Carboxy-2-phenylethyl)-2-(1H-indol-3-yl)ethanecarboximidic acid

C19H17N2O3 (321.1239)


Indole-3-acetyl-phenylalanine is also known as iaa-phe. Indole-3-acetyl-phenylalanine is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Indole-3-acetyl-phenylalanine can be found in a number of food items such as blackcurrant, apricot, common grape, and roselle, which makes indole-3-acetyl-phenylalanine a potential biomarker for the consumption of these food products.

   

MCULE-3051579035

MCULE-3051579035

C17H15N5O2 (321.1226)


   
   

Dehydrohistidyl-tryptophanyl-diketopiperazine

Dehydrohistidyl-tryptophanyl-diketopiperazine

C17H15N5O2 (321.1226)


CONFIDENCE Penicillium bissettii

   

(E)-L-alpha-glutamyl-N-[2-(4-hydroxyphenyl)ethenyl]glycinamide|(S)-(E)-form-Glutamylglycyl-4-hydroxystyrylamine|L-Glu-Gly-4-hydroxystyrylamine

(E)-L-alpha-glutamyl-N-[2-(4-hydroxyphenyl)ethenyl]glycinamide|(S)-(E)-form-Glutamylglycyl-4-hydroxystyrylamine|L-Glu-Gly-4-hydroxystyrylamine

C15H19N3O5 (321.1325)


   

evomeliaefolin

evomeliaefolin

C16H19NO6 (321.1212)


   
   
   
   
   
   
   
   
   

N4-Hydroxyestrogen-deoxycytidine

N4-Hydroxyestrogen-deoxycytidine

C15H19N3O5 (321.1325)


   

3,N4-4-Oxo-2-hexenal-deoxycytidine

3,N4-4-Oxo-2-hexenal-deoxycytidine

C15H19N3O5 (321.1325)


   

1H-1,2,4-Triazole-1-propanoic acid, 4,5-dihydro-3-(1-hydroxyethyl)-5-oxo-4-(2-phenoxyethyl)-

1H-1,2,4-Triazole-1-propanoic acid, 4,5-dihydro-3-(1-hydroxyethyl)-5-oxo-4-(2-phenoxyethyl)-

C15H19N3O5 (321.1325)


   
   
   

Niazirinin

6-[4-(cyanomethyl)phenoxy]-4,5-dihydroxy-2-methyloxan-3-yl acetate

C16H19NO6 (321.1212)


   

N-BOC-BETA-ALANINE-BETA-4-METHOXYPHENYL-N-CARBOXYANHYDRIDE

N-BOC-BETA-ALANINE-BETA-4-METHOXYPHENYL-N-CARBOXYANHYDRIDE

C16H19NO6 (321.1212)


   

DIETHYL 6-ACETYL-5,6-DIHYDROPYRIDO[3,4-B]PYRAZINE-7,7(8H)-DICARBOXYLATE

DIETHYL 6-ACETYL-5,6-DIHYDROPYRIDO[3,4-B]PYRAZINE-7,7(8H)-DICARBOXYLATE

C15H19N3O5 (321.1325)


   

4-chloro-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazoline

4-chloro-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazoline

C16H20ClN3O2 (321.1244)


   

Methyl 4-(4-fluorophenyl)-2-(cyclopropyl)-3-quinolinecarboxylate

Methyl 4-(4-fluorophenyl)-2-(cyclopropyl)-3-quinolinecarboxylate

C20H16FNO2 (321.1165)


   

N-[(DIPHENYLPHOSPHINYL)METHYL]-N-METHYLANILINE

N-[(DIPHENYLPHOSPHINYL)METHYL]-N-METHYLANILINE

C20H20NOP (321.1282)


   

tert-butyl 2-amino-3-(4-methoxy-3,4-dioxobutanoyl)benzoate

tert-butyl 2-amino-3-(4-methoxy-3,4-dioxobutanoyl)benzoate

C16H19NO6 (321.1212)


   

(1R,2S)-2-(3,4-Difluorophenyl)cyclopropanaminium (2R)-hydroxy(phenyl)ethanoate

(1R,2S)-2-(3,4-Difluorophenyl)cyclopropanaminium (2R)-hydroxy(phenyl)ethanoate

C17H17F2NO3 (321.1176)


   

N,N-DIMETHYL-N-(1-HEXYL)-N-(2-[METHACRYLOYL]ETHYL)AMMONIUM BROMIDE

N,N-DIMETHYL-N-(1-HEXYL)-N-(2-[METHACRYLOYL]ETHYL)AMMONIUM BROMIDE

C14H28BrNO2 (321.1303)


   

3-(4-fluorophenyl)-1-(oxan-2-yl)indazole-5-carbonitrile

3-(4-fluorophenyl)-1-(oxan-2-yl)indazole-5-carbonitrile

C19H16FN3O (321.1277)


   

4-Chloro-6-Methoxy-7-(3-pyrrolidin-1-yl-propoxy)-quinazoline

4-Chloro-6-Methoxy-7-(3-pyrrolidin-1-yl-propoxy)-quinazoline

C16H20ClN3O2 (321.1244)


   

1-(2-ANTHRACENYL)-4-PHENYL-1H-[1,2,3]TRIAZOLE

1-(2-ANTHRACENYL)-4-PHENYL-1H-[1,2,3]TRIAZOLE

C22H15N3 (321.1266)


   

(R)-5-(Azidomethyl)-3-[3-fluoro-4-(4-morpholinyl)phenyl]-2-oxazolidinone

(R)-5-(Azidomethyl)-3-[3-fluoro-4-(4-morpholinyl)phenyl]-2-oxazolidinone

C14H16FN5O3 (321.1237)


   

8-[2-(2-Pyridyl)phenyl]-5H-pyrido[3,2-b]indole

8-[2-(2-Pyridyl)phenyl]-5H-pyrido[3,2-b]indole

C22H15N3 (321.1266)


   

DB07268

2-((2-((3-Hydroxyphenyl)amino)pyrimidin-4-yl)amino)benzamide

C17H15N5O2 (321.1226)


   

4-methoxy-3-(3-morpholinopropoxy)-2-nitrobenzonitrile

4-methoxy-3-(3-morpholinopropoxy)-2-nitrobenzonitrile

C15H19N3O5 (321.1325)


   

Methyl 2-(Boc-amino)-2-(1,1-dioxo-4-tetrahydrothiopyranyl)acetate

Methyl 2-(Boc-amino)-2-(1,1-dioxo-4-tetrahydrothiopyranyl)acetate

C13H23NO6S (321.1246)


   

Gefitinib impurity 1

Gefitinib impurity 1

C15H19N3O5 (321.1325)


   

Ampreloxetine

Ampreloxetine

C18H18F3NO (321.134)


C78272 - Agent Affecting Nervous System Ampreloxetine (TD-9855) is a potent and orally active norepinephrine (NE) and serotonin 5-HT inhibitor. Ampreloxetine has the potential for the research of neurogenic orthostatic hypotension[1][2].

   

1-[(1,3-Benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-4-piperidinecarboxamide

1-[(1,3-Benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-4-piperidinecarboxamide

C15H19N3O3S (321.1147)


   

N-[2-(4-methoxyphenoxy)ethyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide

N-[2-(4-methoxyphenoxy)ethyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide

C15H19N3O3S (321.1147)


   

1-methyl-8-(phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylic acid

1-methyl-8-(phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylic acid

C17H15N5O2 (321.1226)


   

3-({2-[(2-Amino-6-methylpyrimidin-4-YL)ethynyl]benzyl}amino)-1,3-oxazol-2(3H)-one

3-({2-[(2-Amino-6-methylpyrimidin-4-YL)ethynyl]benzyl}amino)-1,3-oxazol-2(3H)-one

C17H15N5O2 (321.1226)


   

Vipadenant

Vipadenant

C16H15N7O (321.1338)


D018377 - Neurotransmitter Agents > D058905 - Purinergic Agents > D058914 - Purinergic Antagonists C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent C308 - Immunotherapeutic Agent > C2139 - Immunostimulant Vipadenant (BIIB-014; CEB-4520) is an adenosine receptor antagonist, with Kis of 1.3 nM and 68 nM for A2A and A1, respectively.

   

carboquone

carboquone

C15H19N3O5 (321.1325)


L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents > L01AC - Ethylene imines C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D009676 - Noxae > D000477 - Alkylating Agents D000970 - Antineoplastic Agents

   

indole-3-acetyl-phenylalanine

N-(1-Carboxy-2-phenylethyl)-2-(1H-indol-3-yl)ethanecarboximidic acid

C19H17N2O3- (321.1239)


Indole-3-acetyl-phenylalanine is also known as iaa-phe. Indole-3-acetyl-phenylalanine is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Indole-3-acetyl-phenylalanine can be found in a number of food items such as blackcurrant, apricot, common grape, and roselle, which makes indole-3-acetyl-phenylalanine a potential biomarker for the consumption of these food products.

   

(indol-3-yl)acetyl-L-phenylalanine

(indol-3-yl)acetyl-L-phenylalanine

C19H17N2O3- (321.1239)


   

5-Methyl-9-(3-methylbut-2-enyl)-7-oxophenazine-1-carboxylate

5-Methyl-9-(3-methylbut-2-enyl)-7-oxophenazine-1-carboxylate

C19H17N2O3- (321.1239)


   
   

(1R,5R,6R,7R,9S,11S,12S,13S,14S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.17,11.01,6]tetradecane-5,9,12,13,14-pentol

(1R,5R,6R,7R,9S,11S,12S,13S,14S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.17,11.01,6]tetradecane-5,9,12,13,14-pentol

C11H19N3O8 (321.1172)


   

(2R,3R,4E)-2,3-Dihydroxy-5-(methylsulfanyl)pent-4-enoylcarnitine

(2R,3R,4E)-2,3-Dihydroxy-5-(methylsulfanyl)pent-4-enoylcarnitine

C13H23NO6S (321.1246)


   

6,7-dimethoxy-4-(2-oxolanylmethylamino)-1H-quinazoline-2-thione

6,7-dimethoxy-4-(2-oxolanylmethylamino)-1H-quinazoline-2-thione

C15H19N3O3S (321.1147)


   

4-[1-[(3-Methoxyphenyl)methyl]-2-benzimidazolyl]-1,2,5-oxadiazol-3-amine

4-[1-[(3-Methoxyphenyl)methyl]-2-benzimidazolyl]-1,2,5-oxadiazol-3-amine

C17H15N5O2 (321.1226)


   

5-{[5-(diethylamino)-2-furyl]methylene}-1,3-dimethyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

5-{[5-(diethylamino)-2-furyl]methylene}-1,3-dimethyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

C15H19N3O3S (321.1147)


   

N-[(2-ethyl-1-piperidinyl)-sulfanylidenemethyl]-4-nitrobenzamide

N-[(2-ethyl-1-piperidinyl)-sulfanylidenemethyl]-4-nitrobenzamide

C15H19N3O3S (321.1147)


   

N-(2-fluorophenyl)-4-phenylmethoxybenzamide

N-(2-fluorophenyl)-4-phenylmethoxybenzamide

C20H16FNO2 (321.1165)


   

N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3,4,5-trimethoxybenzamide

N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3,4,5-trimethoxybenzamide

C15H19N3O5 (321.1325)


   
   
   
   
   
   
   
   
   
   

N-[(3R,5S)-5-(hydroxymethyl)-3-pyrrolidinyl]-4-methyl-5-isoquinolinesulfonamide

N-[(3R,5S)-5-(hydroxymethyl)-3-pyrrolidinyl]-4-methyl-5-isoquinolinesulfonamide

C15H19N3O3S (321.1147)


   

(4s)-4-amino-4-[({[(1e)-2-(4-hydroxyphenyl)ethenyl]-c-hydroxycarbonimidoyl}methyl)-c-hydroxycarbonimidoyl]butanoic acid

(4s)-4-amino-4-[({[(1e)-2-(4-hydroxyphenyl)ethenyl]-c-hydroxycarbonimidoyl}methyl)-c-hydroxycarbonimidoyl]butanoic acid

C15H19N3O5 (321.1325)


   

(3e,6s)-3-(3h-imidazol-4-ylmethylidene)-6-(1h-indol-3-ylmethyl)-6h-pyrazine-2,5-diol

(3e,6s)-3-(3h-imidazol-4-ylmethylidene)-6-(1h-indol-3-ylmethyl)-6h-pyrazine-2,5-diol

C17H15N5O2 (321.1226)


   

(3z)-3-(3h-imidazol-4-ylmethylidene)-6-(1h-indol-3-ylmethyl)-6h-pyrazine-2,5-diol

(3z)-3-(3h-imidazol-4-ylmethylidene)-6-(1h-indol-3-ylmethyl)-6h-pyrazine-2,5-diol

C17H15N5O2 (321.1226)


   

(3s,4r)-4-(5,7-dihydroxy-2-methyl-4-oxochromen-8-yl)-3-hydroxy-1-methylpiperidin-1-ium-1-olate

(3s,4r)-4-(5,7-dihydroxy-2-methyl-4-oxochromen-8-yl)-3-hydroxy-1-methylpiperidin-1-ium-1-olate

C16H19NO6 (321.1212)


   

(4r)-4-hydroxy-4-(2-hydroxy-4,7,8-trimethoxyquinolin-3-yl)butan-2-one

(4r)-4-hydroxy-4-(2-hydroxy-4,7,8-trimethoxyquinolin-3-yl)butan-2-one

C16H19NO6 (321.1212)


   

5-hydroxy-3-(1h-imidazol-4-ylmethylidene)-6-(1h-indol-3-ylmethyl)-1,6-dihydropyrazin-2-one

5-hydroxy-3-(1h-imidazol-4-ylmethylidene)-6-(1h-indol-3-ylmethyl)-1,6-dihydropyrazin-2-one

C17H15N5O2 (321.1226)


   

4-amino-4-[({[2-(4-hydroxyphenyl)ethenyl]-c-hydroxycarbonimidoyl}methyl)-c-hydroxycarbonimidoyl]butanoic acid

4-amino-4-[({[2-(4-hydroxyphenyl)ethenyl]-c-hydroxycarbonimidoyl}methyl)-c-hydroxycarbonimidoyl]butanoic acid

C15H19N3O5 (321.1325)


   

4-hydroxy-4-(2-hydroxy-4,7,8-trimethoxyquinolin-3-yl)butan-2-one

4-hydroxy-4-(2-hydroxy-4,7,8-trimethoxyquinolin-3-yl)butan-2-one

C16H19NO6 (321.1212)