Exact Mass: 311.0958

Exact Mass Matches: 311.0958

Found 77 metabolites which its exact mass value is equals to given mass value 311.0958, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Taxiphyllin

(2R)-2-(4-hydroxyphenyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetonitrile

C14H17NO7 (311.1005)


(R)-4-hydroxymandelonitrile beta-D-glucoside is a beta-D-glucoside consisting of (R)-prunasin carrying a hydroxy substituent at position 4 on the phenyl ring. It is a beta-D-glucoside and a nitrile. It is functionally related to a (R)-prunasin. Taxiphyllin is a natural product found in Girgensohnia oppositiflora, Caroxylon tetrandrum, and other organisms with data available. Dhurrin is found in borage. Cyanogenic glucoside isolated from Sorghum vulgare (sorghum) Dhurrin is a cyanogenic glycoside occurring in plants. Its biosynthesis has been elucidated. Dhurrin is hydrolyzed in the stomach of an insect into a carbohydrate and aglycone. The aglycone is unstable and releases hydrogen cyanide Cyanogenic glucoside of Macadamia ternifolia. Taxiphyllin is found in many foods, some of which are naranjilla, bayberry, celeriac, and red beetroot.

   

p-Glucosyloxymandelonitrile

p-Glucosyloxymandelonitrile

C14H17NO7 (311.1005)


   

Zierin

Benzeneacetonitrile, alpha-(beta-D-glucopyranosyloxy)-3-hydroxy-, (S)

C14H17NO7 (311.1005)


   

Sumiherb

(RS)-2-Bromo-N-(alpha,alpha-dimethylbenzyl)-3,3-dimethylbutyramide

C15H22BrNO (311.0885)


   

Icilin

3,6-dihydro-1-(2-hydroxyphenyl)-4-(3-nitrophenyl)-2(1H)-pyrimidinone

C16H13N3O4 (311.0906)


D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents > D002120 - Calcium Channel Agonists D049990 - Membrane Transport Modulators > D062687 - Sodium Channel Agonists D000077264 - Calcium-Regulating Hormones and Agents

   

S-[(Z)-N-hydroxy-2-phenylethanimidoyl]-L-cysteinylglycine

(Z)-1-(L-cysteinyglycin-S-yl)-N-hydroxy-2-phenylethan-1-imine

C13H17N3O4S (311.094)


   

Citalopram propionic acid

3-[5-cyano-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl]propanoic acid

C18H14FNO3 (311.0958)


Citalopram propionic acid is a metabolite of citalopram. Citalopram is an antidepressant drug of the selective serotonin reuptake inhibitor (SSRI) class. It has U.S. Food and Drug Administration (FDA) approval to treat major depression, and is prescribed off-label for a number of anxiety conditions. (Wikipedia)

   

Dhurrin

(2S)-2-(4-hydroxyphenyl)-2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}acetonitrile

C14H17NO7 (311.1005)


Dhurrin is a cyanogenic glycoside occurring in plants. Its biosynthesis has been elucidated. Dhurrin is hydrolyzed in the stomach of an insect into a carbohydrate and aglycone. The aglycone is unstable and releases hydrogen cyanide. (Wikipedia) In biosynthesis of the cyanogenic glucoside dhurrin in Sorghum bicolor, the UDP-glucosyltransferase UGT85B1 catalyzes the conversion of p-hydroxymandelonitrile into dhurrin. (PMID: 16169969) In Sorghum, the cyanogenic glucoside dhurrin is derived from l-tyrosine in a pathway involving the two cytochromes P450 (CYPs) CYP79A1 and CYP71E1, a glucosyltransferase (UGT85B1), and the redox partner NADPH-dependent cytochrome P450 reductase (CPR). (PMID: 21620426) Synthesis of the tyrosine derived cyanogenic glucoside dhurrin in Sorghum bicolor is catalyzed by two multifunctional, membrane bound cytochromes P450, CYP79A1 and CYP71E1, and a soluble UDPG-glucosyltransferase, UGT85B1. In the presence of CYP79A1 and CYP71E1, the localization of UGT85B1 shifted towards the surface of the ER membrane in the periphery of biosynthetic active cells, demonstrating in planta dhurrin metabolon formation. (PMID: 17706731)

   

N-(1-Deoxy-1-fructosyl)methionine

(2S)-4-(Methylsulphanyl)-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)butanoic acid

C11H21NO7S (311.1039)


Fructose aminoacids are naturally occurring compounds derived from D-fructose and L-aminoacids. They are amadori products resulting from sugar-aminoacid interactions in food products, especially cooked foods [CCD] N-(1-Deoxy-1-fructosyl)methionine is classified as a Natural Food Constituent (code WA) in the DFC.

   

4-(N,N-Dimethylsulfamoyl)-7-piperazino-benzofurazan

4-(N,N-Dimethylaminosulphonyl)-7-(1-piperazinyl)-2,1,3-benzoxadiazole

C12H17N5O3S (311.1052)


   

Etamicastat

5-(2-aminoethyl)-1-(6,8-difluoro-3,4-dihydro-2H-1-benzopyran-3-yl)-2,3-dihydro-1H-imidazole-2-thione

C14H15F2N3OS (311.0904)


   

Metamizol

[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)(methyl)amino]methanesulfonic acid

C13H17N3O4S (311.094)


D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents D058633 - Antipyretics

   

Zierin

2-(3-hydroxyphenyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}acetonitrile

C14H17NO7 (311.1005)


Zierin is a member of the class of compounds known as cyanogenic glycosides. Cyanogenic glycosides are glycosides in which the aglycone moiety contains a cyanide group. Zierin is soluble (in water) and a very weakly acidic compound (based on its pKa). Zierin can be found in black elderberry, which makes zierin a potential biomarker for the consumption of this food product.

   
   

2-Methoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzohydrazide

2-Methoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzohydrazide

C14H12F3N3O2 (311.0882)


   

[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

C14H17NO7 (311.1005)


   
   

(3,4-dihydroxyphenyl)acetonitrile 3-O-beta-D-glucopyranoside|hydranitriloside A1|[3-(beta-D-glucopyranosyloxy)-4-hydroxyphenyl]acetonitrile

(3,4-dihydroxyphenyl)acetonitrile 3-O-beta-D-glucopyranoside|hydranitriloside A1|[3-(beta-D-glucopyranosyloxy)-4-hydroxyphenyl]acetonitrile

C14H17NO7 (311.1005)


   

dioxindole-beta-D-glucoside

dioxindole-beta-D-glucoside

C14H17NO7 (311.1005)


   

Di-Et dithioacetal,5,6-O-isopropylidene-D-2-Amino-2-deoxyglucose

Di-Et dithioacetal,5,6-O-isopropylidene-D-2-Amino-2-deoxyglucose

C11H21NO5S2 (311.0861)


   

5-deoxy-5-(ethylthio)adenosine|5-deoxy-5-ethylthioadenosine|5-Ethylthio-5-deoxyadenosin|5-Thioethyladenosin|Ethyl--sulfid|S-Aethyl-5-thio-adenosin|S-ethyl-5-thio-adenosine

5-deoxy-5-(ethylthio)adenosine|5-deoxy-5-ethylthioadenosine|5-Ethylthio-5-deoxyadenosin|5-Thioethyladenosin|Ethyl--sulfid|S-Aethyl-5-thio-adenosin|S-ethyl-5-thio-adenosine

C12H17N5O3S (311.1052)


   

Ehretioside B_major

Ehretioside B_major

C14H17NO7 (311.1005)


   

Ehretioside B

Ehretioside B

C14H17NO7 (311.1005)


   
   

(R)-4-AMINO-3-HYDROXYBUTANOICACID

(R)-4-AMINO-3-HYDROXYBUTANOICACID

C12H17N5O3S (311.1052)


   
   

n-(3-chloro-2-methyl-phenyl)-2-(tetrahydro-furan-2-yl)-succinamic acid

n-(3-chloro-2-methyl-phenyl)-2-(tetrahydro-furan-2-yl)-succinamic acid

C15H18ClNO4 (311.0924)


   

4,5,6-triethoxy-7-nitrophthalide

4,5,6-triethoxy-7-nitrophthalide

C14H17NO7 (311.1005)


   
   

2-BOC-6-CHLORO-3,4-DIHYDRO-1H-ISOQUINOLINE-1-CARBOXYLIC ACID

2-BOC-6-CHLORO-3,4-DIHYDRO-1H-ISOQUINOLINE-1-CARBOXYLIC ACID

C15H18ClNO4 (311.0924)


   

Diethyl 2-(((3-chloro-4-methylphenyl)amino)methylene)malonate

Diethyl 2-(((3-chloro-4-methylphenyl)amino)methylene)malonate

C15H18ClNO4 (311.0924)


   

nitromethaqualone

nitromethaqualone

C16H13N3O4 (311.0906)


   

s4-(2-cyanoethyl)-4-thiothymidine

s4-(2-cyanoethyl)-4-thiothymidine

C13H17N3O4S (311.094)


   

(4-(2-(1,3-Dioxoisoindolin-2-yl)ethoxy)phenyl)boronic acid

(4-(2-(1,3-Dioxoisoindolin-2-yl)ethoxy)phenyl)boronic acid

C16H14BNO5 (311.0965)


   

3-(3-METHOXYBENZAMIDO)FURO[2,3-B]PYRIDINE-2-CARBOXAMIDE

3-(3-METHOXYBENZAMIDO)FURO[2,3-B]PYRIDINE-2-CARBOXAMIDE

C16H13N3O4 (311.0906)


   

7-[(3R)-3-aminopyrrolidin-1-yl]-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide

7-[(3R)-3-aminopyrrolidin-1-yl]-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide

C12H17N5O3S (311.1052)


   
   

dbd-pz

4-(N,N-Dimethylsulfamoyl)-7-piperazino-benzofurazan

C12H17N5O3S (311.1052)


   

ETHYL 5-HYDROXY-7-OXO-2-PHENYL-7,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXYLATE

ETHYL 5-HYDROXY-7-OXO-2-PHENYL-7,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXYLATE

C16H13N3O4 (311.0906)


   

Etamicastat

Etamicastat

C14H15F2N3OS (311.0904)


C471 - Enzyme Inhibitor

   
   

N-Acetyl-9-deoxy-9-fluoroneuraminic Acid

N-Acetyl-9-deoxy-9-fluoroneuraminic Acid

C11H18FNO8 (311.1016)


   

4-(3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-YL)-6-(TRIFLUOROMETHYL)-2-PYRIMIDINAMINE

4-(3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-YL)-6-(TRIFLUOROMETHYL)-2-PYRIMIDINAMINE

C14H12F3N3O2 (311.0882)


   

2-bromo-n,n-dibutylbenzamide

2-bromo-n,n-dibutylbenzamide

C15H22BrNO (311.0885)


   

2-bromo-3,3-dimethyl-N-(2,4,6-trimethylphenyl)butanamide

2-bromo-3,3-dimethyl-N-(2,4,6-trimethylphenyl)butanamide

C15H22BrNO (311.0885)


   

1-[3-(4-Bromophenoxy)propyl]-4-methylpiperidine

1-[3-(4-Bromophenoxy)propyl]-4-methylpiperidine

C15H22BrNO (311.0885)


   

S-Bimanylcysteine

S-Bimanylcysteine

C13H17N3O4S (311.094)


   

Eptazocine hydrobromide

Eptazocine hydrobromide

C15H22BrNO (311.0885)


C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent

   

5-(2,5-difluorophenyl)-N-(2-oxolanylmethyl)-6H-1,3,4-thiadiazin-2-amine

5-(2,5-difluorophenyl)-N-(2-oxolanylmethyl)-6H-1,3,4-thiadiazin-2-amine

C14H15F2N3OS (311.0904)


   

5-S-ethyl-5-thioadenosine

5-S-ethyl-5-thioadenosine

C12H17N5O3S (311.1052)


   

metamizole

metamizole

C13H17N3O4S (311.094)


D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents D058633 - Antipyretics

   

N-[(S-(Z)-Phenylacetohydroximoyl)-L-cysteinyl]glycine

N-[(S-(Z)-Phenylacetohydroximoyl)-L-cysteinyl]glycine

C13H17N3O4S (311.094)


   

4-{[(2-amino-4-hydroxypteridin-6-yl)methyl]amino}benzoate

4-{[(2-amino-4-hydroxypteridin-6-yl)methyl]amino}benzoate

C14H11N6O3- (311.0893)


   
   

3-[3-(phenylthio)-1H-indol-2-yl]propanoic acid methyl ester

3-[3-(phenylthio)-1H-indol-2-yl]propanoic acid methyl ester

C18H17NO2S (311.098)


   

6-chloro-3-[2-(diethylamino)ethyl]-2-sulfanylidene-1H-quinazolin-4-one

6-chloro-3-[2-(diethylamino)ethyl]-2-sulfanylidene-1H-quinazolin-4-one

C14H18ClN3OS (311.0859)


   

Ethyl 4-[[(2-methoxyacetyl)amino]carbamothioylamino]benzoate

Ethyl 4-[[(2-methoxyacetyl)amino]carbamothioylamino]benzoate

C13H17N3O4S (311.094)


   

1-(1H-indol-3-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone

1-(1H-indol-3-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone

C16H13N3O4 (311.0906)


   

N-(2,6-dimethylphenyl)-5-(4-methyl-3-thiophenyl)-2-furancarboxamide

N-(2,6-dimethylphenyl)-5-(4-methyl-3-thiophenyl)-2-furancarboxamide

C18H17NO2S (311.098)


   

4-Methoxy-6-[5-(2-nitrophenyl)-1,2-dihydropyrazol-3-ylidene]-1-cyclohexa-2,4-dienone

4-Methoxy-6-[5-(2-nitrophenyl)-1,2-dihydropyrazol-3-ylidene]-1-cyclohexa-2,4-dienone

C16H13N3O4 (311.0906)


   

Taxiphyllin

(2R)-2-(4-hydroxyphenyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetonitrile

C14H17NO7 (311.1005)


(R)-4-hydroxymandelonitrile beta-D-glucoside is a beta-D-glucoside consisting of (R)-prunasin carrying a hydroxy substituent at position 4 on the phenyl ring. It is a beta-D-glucoside and a nitrile. It is functionally related to a (R)-prunasin. Taxiphyllin is a natural product found in Girgensohnia oppositiflora, Caroxylon tetrandrum, and other organisms with data available.

   
   

Citalopram propionic acid

Citalopram propionic acid

C18H14FNO3 (311.0958)


   

N-(1-Deoxy-1-fructosyl)methionine

N-(1-Deoxy-1-fructosyl)methionine

C11H21NO7S (311.1039)


   

5-ethylthioadenosine

5-ethylthioadenosine

C12H17N5O3S (311.1052)


A thioadenosine that is adenosine with the hydroxy group at C-5 substituted with an ethylthio (ethylsulfanyl) group.

   

(S)-4-Hydroxymandelonitrile beta-D-glucoside

(S)-4-Hydroxymandelonitrile beta-D-glucoside

C14H17NO7 (311.1005)


A beta-D-glucoside consisting of (S)-prunasin carrying a hydroxy substituent at position 4 on the phenyl ring.

   

2-(4-hydroxy-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)acetonitrile

2-(4-hydroxy-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)acetonitrile

C14H17NO7 (311.1005)


   

3-formyl-6-(c-hydroxycarbonimidoyl)-5-methyl-10h-phenazine-1-carboxylic acid

3-formyl-6-(c-hydroxycarbonimidoyl)-5-methyl-10h-phenazine-1-carboxylic acid

C16H13N3O4 (311.0906)


   

(2r)-2-(3-hydroxyphenyl)-2-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}acetonitrile

(2r)-2-(3-hydroxyphenyl)-2-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}acetonitrile

C14H17NO7 (311.1005)


   

7-hydroxy-6-{1-[(4z)-2-imino-3h-imidazol-4-ylidene]-2-oxopropyl}-2-methylchromen-4-one

7-hydroxy-6-{1-[(4z)-2-imino-3h-imidazol-4-ylidene]-2-oxopropyl}-2-methylchromen-4-one

C16H13N3O4 (311.0906)


   

2-(4-hydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)acetonitrile

2-(4-hydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)acetonitrile

C14H17NO7 (311.1005)


   

7-hydroxy-5-{1-[(4z)-2-imino-3h-imidazol-4-ylidene]-2-oxopropyl}-2-methylchromen-4-one

7-hydroxy-5-{1-[(4z)-2-imino-3h-imidazol-4-ylidene]-2-oxopropyl}-2-methylchromen-4-one

C16H13N3O4 (311.0906)


   

(2s)-2-(3-hydroxyphenyl)-2-{[(2s,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}acetonitrile

(2s)-2-(3-hydroxyphenyl)-2-{[(2s,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}acetonitrile

C14H17NO7 (311.1005)


   

(3r,4s,5s,6r)-2-[(2r)-3-hydroxy-2h-1,4-benzoxazin-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol

(3r,4s,5s,6r)-2-[(2r)-3-hydroxy-2h-1,4-benzoxazin-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol

C14H17NO7 (311.1005)


   

5'-s-ethyl-5'-thioadenosine

5'-s-ethyl-5'-thioadenosine

C12H17N5O3S (311.1052)


   

7-hydroxy-5-[1-(2-imino-3h-imidazol-4-ylidene)-2-oxopropyl]-2-methylchromen-4-one

7-hydroxy-5-[1-(2-imino-3h-imidazol-4-ylidene)-2-oxopropyl]-2-methylchromen-4-one

C16H13N3O4 (311.0906)


   

(2s,3r,4s,5s,6r)-2-{[(3s)-2-hydroxy-3h-indol-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

(2s,3r,4s,5s,6r)-2-{[(3s)-2-hydroxy-3h-indol-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C14H17NO7 (311.1005)