Exact Mass: 311.1052

Exact Mass Matches: 311.1052

Found 74 metabolites which its exact mass value is equals to given mass value 311.1052, 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)


   

K-252c

6,7,12,13-Tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one

C20H13N3O (311.1059)


D004791 - Enzyme Inhibitors

   

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.

   

3,5-Bis(2-fluorobenzylidene)-4-piperidone

3,5-bis[(2-fluorophenyl)methylidene]piperidin-4-one

C19H15F2NO (311.1122)


   

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

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

C12H17N5O3S (311.1052)


   

6,7,12,13-Tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one

3,13,23-triazahexacyclo[14.7.0.0²,¹⁰.0⁴,⁹.0¹¹,¹⁵.0¹⁷,²²]tricosa-1,4(9),5,7,10,15,17,19,21-nonaen-12-one

C20H13N3O (311.1059)


D004791 - Enzyme Inhibitors

   

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.

   
   
   

3-(benzylamino)-5-(4-chlorophenyl)cyclohex-2-en-1-one

3-(benzylamino)-5-(4-chlorophenyl)cyclohex-2-en-1-one

C19H18ClNO (311.1077)


   

[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)


   

prodeoxyviolacein

prodeoxyviolacein

C20H13N3O (311.1059)


   
   

(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)


   

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)


   
   

5-Cyano-6-methoxyindolo[2, 3-a]carbazole

5-Cyano-6-methoxyindolo[2, 3-a]carbazole

C20H13N3O (311.1059)


   
   

fenamidone

Pesticide5_Fenamidone_C17H17N3OS_(S)-1-Anilino-4-methyl-2-methylthio-4-phenylimidazolin-5-one

C17H17N3OS (311.1092)


D010575 - Pesticides > D005659 - Fungicides, Industrial > D000073739 - Strobilurins D016573 - Agrochemicals CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 1015 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3056

   

Ehretioside B_major

Ehretioside B_major

C14H17NO7 (311.1005)


   

Ehretioside B

Ehretioside B

C14H17NO7 (311.1005)


   

PC(3:1/0:0)[U]

3,5,9-Trioxa-4-phosphadodec-11-en-1-aminium, 4,7-dihydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide

C11H22NO7P (311.1134)


   

PC(0:0/3:1)

3,5,8-Trioxa-4-phosphaundec-10-en-1-aminium, 4-hydroxy-7-(hydroxymethyl)-N,N,N-trimethyl-9-oxo-, inner salt, 4-oxide

C11H22NO7P (311.1134)


   

Lys-Gly-OH

2-(3-(4-aminobutoxy)-4-nitrobenzamido)acetic acid

C13H17N3O6 (311.1117)


   

Gly-Lys-OH

(S)-7-amino-2-(3-hydroxy-4-nitrobenzamido)heptanoic acid

C13H17N3O6 (311.1117)


   

LPC 3:1

2-(2E-propionyl)-sn-glycero-3-phosphocholine

C11H22NO7P (311.1134)


   

(R)-4-AMINO-3-HYDROXYBUTANOICACID

(R)-4-AMINO-3-HYDROXYBUTANOICACID

C12H17N5O3S (311.1052)


   

4,5,6-triethoxy-7-nitrophthalide

4,5,6-triethoxy-7-nitrophthalide

C14H17NO7 (311.1005)


   

ETHYL 6-CHLORO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PICOLINATE

ETHYL 6-CHLORO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PICOLINATE

C14H19BClNO4 (311.1096)


   

Acetic acid, [[(1,1-dimethylethoxy)carbonyl]amino](dimethoxyphosphinyl)-, ethyl ester

Acetic acid, [[(1,1-dimethylethoxy)carbonyl]amino](dimethoxyphosphinyl)-, ethyl ester

C11H22NO7P (311.1134)


   

4-(N-[2,4-DIAMINO-6-PTERIDINYLMETHYL]-AMINO)BENZOIC ACID SODIUM SALT

4-(N-[2,4-DIAMINO-6-PTERIDINYLMETHYL]-AMINO)BENZOIC ACID SODIUM SALT

C14H13N7O2 (311.1131)


   

(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)


   
   

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)


   

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

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

C11H18FNO8 (311.1016)


   

3H-1,2,4-Triazole-3-thione,5-[(2,6-dimethylphenoxy)methyl]-2,4-dihydro-4-phenyl-

3H-1,2,4-Triazole-3-thione,5-[(2,6-dimethylphenoxy)methyl]-2,4-dihydro-4-phenyl-

C17H17N3OS (311.1092)


   

2-(BENZYLAMINO)-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE

2-(BENZYLAMINO)-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE

C17H17N3OS (311.1092)


   

Guanadrel Hemisulfate

Guanadrel Hemisulfate

C10H21N3O6S (311.1151)


   

11-(1-Piperazinyl)Dibenzo[b,f][1,4]Thiazepin-7-Ol

11-(1-Piperazinyl)Dibenzo[b,f][1,4]Thiazepin-7-Ol

C17H17N3OS (311.1092)


   

5-S-ethyl-5-thioadenosine

5-S-ethyl-5-thioadenosine

C12H17N5O3S (311.1052)


   

Deoxyproviolacein

Deoxyproviolacein

C20H13N3O (311.1059)


   

(3Z,5E)-3,5-bis[(2-fluorophenyl)methylidene]piperidin-4-one

(3Z,5E)-3,5-bis[(2-fluorophenyl)methylidene]piperidin-4-one

C19H15F2NO (311.1122)


   

Marinoquinoline F

Marinoquinoline F

C20H13N3O (311.1059)


A natural product found in Ohtaekwangia kribbensis.

   

3-(4-ethoxyphenyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione

3-(4-ethoxyphenyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione

C17H17N3OS (311.1092)


   

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)


   

3-Amino-2-(4-methylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

3-Amino-2-(4-methylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

C17H17N3OS (311.1092)


   

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-(4-Phenoxy-1-piperidinyl)thieno[2,3-d]pyrimidine

4-(4-Phenoxy-1-piperidinyl)thieno[2,3-d]pyrimidine

C17H17N3OS (311.1092)


   

6-chloro-N-(2-methylpropyl)-2-phenyl-1-benzopyran-4-imine

6-chloro-N-(2-methylpropyl)-2-phenyl-1-benzopyran-4-imine

C19H18ClNO (311.1077)


   

(5R)-3-(benzylamino)-5-(4-chlorophenyl)cyclohex-2-en-1-one

(5R)-3-(benzylamino)-5-(4-chlorophenyl)cyclohex-2-en-1-one

C19H18ClNO (311.1077)


   

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)


   

2-(2E-propionyl)-sn-glycero-3-phosphocholine

2-(2E-propionyl)-sn-glycero-3-phosphocholine

C11H22NO7P (311.1134)


   

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.

   

EF24

EF24

C19H15F2NO (311.1122)


EF24 is a curcumin analogue with greater anti-tumor efficacy and oral bioavailability via deactivation of the MAPK/ERK signaling pathway in oral squamous cell carcinoma (OSCC). EF24 treatment increases the levels of activated caspase 3 and 9, and decreases the phosphorylated forms of MEK1 and ERK[1][2].

   

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)


   

(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)


   

4,14,18-triazahexacyclo[14.6.1.0²,¹⁴.0³,¹¹.0⁵,¹⁰.0²⁰,²³]tricosa-1,3(11),5,7,9,16,18,20(23),21-nonaen-15-one

4,14,18-triazahexacyclo[14.6.1.0²,¹⁴.0³,¹¹.0⁵,¹⁰.0²⁰,²³]tricosa-1,3(11),5,7,9,16,18,20(23),21-nonaen-15-one

C20H13N3O (311.1059)


   

3-{9h-pyrido[3,4-b]indole-1-carbonyl}-1h-indole

3-{9h-pyrido[3,4-b]indole-1-carbonyl}-1h-indole

C20H13N3O (311.1059)


   

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)


   

(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)


   

3,13,23-triazahexacyclo[14.7.0.0²,¹⁰.0⁴,⁹.0¹¹,¹⁵.0¹⁷,²²]tricosa-1(16),2(10),4(9),5,7,11(15),12,17(22),18,20-decaen-12-ol

3,13,23-triazahexacyclo[14.7.0.0²,¹⁰.0⁴,⁹.0¹¹,¹⁵.0¹⁷,²²]tricosa-1(16),2(10),4(9),5,7,11(15),12,17(22),18,20-decaen-12-ol

C20H13N3O (311.1059)


   

(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)