Exact Mass: 316.1548752

Exact Mass Matches: 316.1548752

Found 80 metabolites which its exact mass value is equals to given mass value 316.1548752, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Bupirimate

5-butyl-2-(ethylimino)-6-methyl-1,2-dihydropyrimidin-4-yl N,N-dimethylsulfamate

C13H24N4O3S (316.15690340000003)


CONFIDENCE standard compound; INTERNAL_ID 355; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9085; ORIGINAL_PRECURSOR_SCAN_NO 9084 CONFIDENCE standard compound; INTERNAL_ID 355; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9038; ORIGINAL_PRECURSOR_SCAN_NO 9035 CONFIDENCE standard compound; INTERNAL_ID 355; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9048; ORIGINAL_PRECURSOR_SCAN_NO 9045 CONFIDENCE standard compound; INTERNAL_ID 355; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9016; ORIGINAL_PRECURSOR_SCAN_NO 9014 CONFIDENCE standard compound; INTERNAL_ID 355; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9062; ORIGINAL_PRECURSOR_SCAN_NO 9060 CONFIDENCE standard compound; INTERNAL_ID 355; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9072; ORIGINAL_PRECURSOR_SCAN_NO 9070 CONFIDENCE standard compound; INTERNAL_ID 8454 CONFIDENCE standard compound; INTERNAL_ID 2585

   

Timolol

1-(tert-butylamino)-3-{[4-(morpholin-4-yl)-1,2,5-thiadiazol-3-yl]oxy}propan-2-ol

C13H24N4O3S (316.15690340000003)


Timolol is only found in individuals that have used or taken this drug. It is a beta-adrenergic antagonist similar in action to propranolol. The levo-isomer is the more active. Timolol has been proposed as an antihypertensive, antiarrhythmic, antiangina, and antiglaucoma agent. It is also used in the treatment of migraine disorders and tremor. [PubChem]Like propranolol and nadolol, timolol competes with adrenergic neurotransmitters such as catecholamines for binding at beta(1)-adrenergic receptors in the heart and vascular smooth muscle and beta(2)-receptors in the bronchial and vascular smooth muscle. Beta(1)-receptor blockade results in a decrease in resting and exercise heart rate and cardiac output, a decrease in both systolic and diastolic blood pressure, and, possibly, a reduction in reflex orthostatic hypotension. Beta(2)-blockade results in an increase in peripheral vascular resistance. The exact mechanism whereby timolol reduces ocular pressure is still not known. The most likely action is by decreasing the secretion of aqueous humor. C - Cardiovascular system > C07 - Beta blocking agents > C07A - Beta blocking agents > C07AA - Beta blocking agents, non-selective S - Sensory organs > S01 - Ophthalmologicals > S01E - Antiglaucoma preparations and miotics > S01ED - Beta blocking agents C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents

   

O-Methylptelefolonium

O-Methylptelefolonium

C18H22NO4+ (316.1548752)


   

Timolol

S(-)-3-morpholino-4-(3-tert-butylamino-2-hydroxypropoxy)-1,2,5-thiadiazole

C13H24N4O3S (316.15690340000003)


C - Cardiovascular system > C07 - Beta blocking agents > C07A - Beta blocking agents > C07AA - Beta blocking agents, non-selective S - Sensory organs > S01 - Ophthalmologicals > S01E - Antiglaucoma preparations and miotics > S01ED - Beta blocking agents C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents CONFIDENCE standard compound; EAWAG_UCHEM_ID 3210 KEIO_ID T098; [MS2] KO009303 KEIO_ID T098; [MS3] KO009304 KEIO_ID T098

   

10-Hydroxy-8-nor-2-fenchanone glucoside

3-methyl-1-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)bicyclo[2.2.1]heptan-2-one

C15H24O7 (316.1521954)


10-Hydroxy-8-nor-2-fenchanone glucoside is found in herbs and spices. 10-Hydroxy-8-nor-2-fenchanone glucoside is a constituent of Foeniculum vulgare (fennel). Constituent of Foeniculum vulgare (fennel). 10-Hydroxy-8-nor-2-fenchanone glucoside is found in herbs and spices.

   

Glucosyl (E)-2,6-Dimethyl-2,5-heptadienoate

3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl (2E)-2,6-dimethylhepta-2,5-dienoic acid

C15H24O7 (316.1521954)


Glucosyl (E)-2,6-Dimethyl-2,5-heptadienoate is found in fruits. Glucosyl (E)-2,6-Dimethyl-2,5-heptadienoate is a constituent of Passiflora quadrangularis (giant grandilla) Constituent of Passiflora quadrangularis (giant grandilla). Glucosyl (E)-2,6-Dimethyl-2,5-heptadienoate is found in fruits.

   

6-Hydroxyazapropazone

7-(dimethylamino)-11-hydroxy-12-methyl-4-propyl-2,6,8-triazatricyclo[7.4.0.0²,⁶]trideca-1(13),7,9,11-tetraene-3,5-dione

C16H20N4O3 (316.15353300000004)


   

Fluorocarazolol

1-(9H-Carbazol-4-yloxy)-3-((1-(fluoromethyl)ethyl)amino)-2-propanol

C18H21FN2O2 (316.15869779999997)


   

Navoximod

4-(2-{6-fluoro-5H-imidazo[4,3-a]isoindol-5-yl}-1-hydroxyethyl)cyclohexan-1-ol

C18H21FN2O2 (316.15869779999997)


   

Merrilliortholactone

(-)-Merrilliortholactone

C15H24O7 (316.1521954)


   

O-Methylptelofolonium

O-Methylptelofolonium

C18H22NO4 (316.1548752)


   

Ethyl 2-[4-(aminocarbonyl)piperidino]-3-cyano-6-methylisonicotinate

Ethyl 2-[4-(aminocarbonyl)piperidino]-3-cyano-6-methylisonicotinate

C16H20N4O3 (316.15353300000004)


   
   

(6S)-2-trans-6-alpha-L-arabinopyranosyloxy-2,6-dimethyl-2,7-octadienoic acid

(6S)-2-trans-6-alpha-L-arabinopyranosyloxy-2,6-dimethyl-2,7-octadienoic acid

C15H24O7 (316.1521954)


   

(11)7,14-Ortholactone-3alpha-hydroxyfloridanolide|(11)7,14-Ortholactone-3??-hydroxyfloridanolide

(11)7,14-Ortholactone-3alpha-hydroxyfloridanolide|(11)7,14-Ortholactone-3??-hydroxyfloridanolide

C15H24O7 (316.1521954)


   

7,14-ortholactone-1alpha-hydroxyfloridanolide

7,14-ortholactone-1alpha-hydroxyfloridanolide

C15H24O7 (316.1521954)


   
   

2alpha-hydroxycycloparvifloralone

2alpha-hydroxycycloparvifloralone

C15H24O7 (316.1521954)


   

3alpha-Hydroxycycloparvifloralone|3??-Hydroxycycloparvifloralone

3alpha-Hydroxycycloparvifloralone|3??-Hydroxycycloparvifloralone

C15H24O7 (316.1521954)


   
   

AG-879

Tyrphostin AG 879

C18H24N2OS (316.1609254)


   

O-Methylptelofolonium

O-Methylptelofolonium

C18H22NO4+ (316.1548752)


   

Bupirimate

Pesticide5_Bupirimate_C13H24N4O3S_Sulfamic acid, N,N-dimethyl-, 5-butyl-2-(ethylamino)-6-methyl-4-pyrimidinyl ester

C13H24N4O3S (316.15690340000003)


   

11,11,11,12,12-Pentafluoro-9Z-dodecenyl acetate

11,11,11,12,12-Pentafluoro-9Z-dodecenyl acetate

C14H21F5O2 (316.14616259999997)


   

4,7,10,13,16,19-Docosahexaynoic acid

4,7,10,13,16,19-Docosahexaynoic acid

C22H20O2 (316.146322)


   

10-Hydroxy-8-nor-2-fenchanone glucoside

3-methyl-1-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)bicyclo[2.2.1]heptan-2-one

C15H24O7 (316.1521954)


   

Glucosyl (E)-2,6-Dimethyl-2,5-heptadienoate

3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2E)-2,6-dimethylhepta-2,5-dienoate

C15H24O7 (316.1521954)


   

FA 22:12

4,7,10,13,16,19-Docosahexaynoic acid

C22H20O2 (316.146322)


   

11,11,11,12,12-Pentafluoro-9Z-dodecenyl acetate

11,11,11,12,12-Pentafluoro-9Z-dodecenyl acetate

C14H21O2F5 (316.1461626)


   
   

6-pyren-1-ylhexanoic acid

6-pyren-1-ylhexanoic acid

C22H20O2 (316.146322)


   

1-(BENZYLOXY)-2-(3-METHOXYSTYRYL)BENZENE

1-(BENZYLOXY)-2-(3-METHOXYSTYRYL)BENZENE

C22H20O2 (316.146322)


   

1-decyl-2,3-dimethylimidazolium bromide

1-decyl-2,3-dimethylimidazolium bromide

C15H29BrN2 (316.1513974)


   

TERT-BUTYL 2,7-DIAZASPIRO[3.5]NONANE-2-CARBOXYLATE OXALATE

TERT-BUTYL 2,7-DIAZASPIRO[3.5]NONANE-2-CARBOXYLATE OXALATE

C14H24N2O6 (316.1634284)


   

(2R)-2-[(Trityloxy)methyl]oxirane

(2R)-2-[(Trityloxy)methyl]oxirane

C22H20O2 (316.146322)


   

Azepino[4,5-b]indole-5-carboxylic acid, 8-fluoro-1,2,3,6-tetrahydro-1,1-dimethyl-, 1-methylethyl ester

Azepino[4,5-b]indole-5-carboxylic acid, 8-fluoro-1,2,3,6-tetrahydro-1,1-dimethyl-, 1-methylethyl ester

C18H21FN2O2 (316.15869779999997)


   

Azepino[4,5-b]indole-5-carboxylic acid, 9-fluoro-1,2,3,6-tetrahydro-1,1-dimethyl-, 1-methylethyl ester

Azepino[4,5-b]indole-5-carboxylic acid, 9-fluoro-1,2,3,6-tetrahydro-1,1-dimethyl-, 1-methylethyl ester

C18H21FN2O2 (316.15869779999997)


   

4-Biphenylyl(triethoxy)silane

4-Biphenylyl(triethoxy)silane

C18H24O3Si (316.1494634)


   

2-O-benzyl 1-O-butyl 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate

2-O-benzyl 1-O-butyl 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate

C19H16D4O4 (316.161260712)


   
   

Ethyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole-3-carboxylate

Ethyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole-3-carboxylate

C16H21BN2O4 (316.1594296)


   

ethyl prop-2-enoate,2-hydroxyethyl 2-methylprop-2-enoate,2-methylprop-2-enoic acid

ethyl prop-2-enoate,2-hydroxyethyl 2-methylprop-2-enoate,2-methylprop-2-enoic acid

C15H24O7 (316.1521954)


   

Ethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-pyrrolo[ 2,3-b]pyridine-2-carboxylate

Ethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-pyrrolo[ 2,3-b]pyridine-2-carboxylate

C16H21BN2O4 (316.1594296)


   

Prifelone

Prifelone

C19H24O2S (316.1496924)


C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic

   

tert-butyl 4-(2-methoxy-2-oxoethyl)-4-(nitromethyl)piperidine-1-carboxylate

tert-butyl 4-(2-methoxy-2-oxoethyl)-4-(nitromethyl)piperidine-1-carboxylate

C14H24N2O6 (316.1634284)


   

Navoximod

Navoximod

C18H21FN2O2 (316.15869779999997)


C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent C308 - Immunotherapeutic Agent > C141144 - Immune Checkpoint Modulator C471 - Enzyme Inhibitor > C141137 - IDO1 Inhibitor C274 - Antineoplastic Agent

   

N-Boc-N-[(Allyloxy)carbonyl]-L-ornithine

N-Boc-N-[(Allyloxy)carbonyl]-L-ornithine

C14H24N2O6 (316.1634284)


   

3,9-Diazaspiro[5.5]undecane, 3-(phenylmethyl)-, hydrochloride (1:2)

3,9-Diazaspiro[5.5]undecane, 3-(phenylmethyl)-, hydrochloride (1:2)

C16H26Cl2N2 (316.1472936)


   

(4-((3,5-Dimethoxybenzyl)oxy)-3,5-dimethylphenyl)boronic acid

(4-((3,5-Dimethoxybenzyl)oxy)-3,5-dimethylphenyl)boronic acid

C17H21BO5 (316.1481966)


   

(2S)-2-[(Trityloxy)methyl]oxirane

(2S)-2-[(Trityloxy)methyl]oxirane

C22H20O2 (316.146322)


   

5H-Imidazo[5,1-a]isoindole-5-ethanol, 6-fluoro-alpha-(trans-4-hydroxycyclohexyl)-

5H-Imidazo[5,1-a]isoindole-5-ethanol, 6-fluoro-alpha-(trans-4-hydroxycyclohexyl)-

C18H21FN2O2 (316.15869779999997)


   

Ras/Rac Transformation Blocker, SCH 51344

Ras/Rac Transformation Blocker, SCH 51344

C16H20N4O3 (316.15353300000004)


SCH 51344 inhibits Ras induced malignant transformation and prevents anchorage-independent growth of oncogene transformed fibroblasts[1].

   

(S)-3-hydroxy-N-methylcoclaurinium(1+)

(S)-3-hydroxy-N-methylcoclaurinium(1+)

C18H22NO4+ (316.1548752)


The conjugate acid of (S)-3-hydroxy-N-methylcoclaurine; major species at pH 7.3.

   

(1S)-7-hydroxy-1-(3-hydroxy-4-methoxybenzyl)-6-methoxy-1,2,3,4-tetrahydroisoquinolinium

(1S)-7-hydroxy-1-(3-hydroxy-4-methoxybenzyl)-6-methoxy-1,2,3,4-tetrahydroisoquinolinium

C18H22NO4+ (316.1548752)


   
   
   

(S)-norprotosinomenine

(S)-norprotosinomenine

C18H22NO4+ (316.1548752)


   

(R)-norprotosinomenine

(R)-norprotosinomenine

C18H22NO4+ (316.1548752)


   

Tyrphostin AG 879

Tyrphostin AG 879

C18H24N2OS (316.1609254)


D000970 - Antineoplastic Agents > D020032 - Tyrphostins

   

Nororientalinium(1+)

Nororientalinium(1+)

C18H22NO4+ (316.1548752)


The conjugate acid of nororientaline; major species at pH 7.3.

   

2-Naphthalenyl-(4-phenyl-1-piperazinyl)methanone

2-Naphthalenyl-(4-phenyl-1-piperazinyl)methanone

C21H20N2O (316.157555)


   

2-[[4-(2-Hydroxyethylamino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]phenol

2-[[4-(2-Hydroxyethylamino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]phenol

C15H20N6O2 (316.164766)


   

2,2-Diphenylacetic acid (2,6-dimethylphenyl) ester

2,2-Diphenylacetic acid (2,6-dimethylphenyl) ester

C22H20O2 (316.146322)


   

2-(2-phenylanilino)-N-(phenylmethyl)acetamide

2-(2-phenylanilino)-N-(phenylmethyl)acetamide

C21H20N2O (316.157555)


   

N-[4-(1-pyrrolidinyl)phenyl]-2-naphthalenecarboxamide

N-[4-(1-pyrrolidinyl)phenyl]-2-naphthalenecarboxamide

C21H20N2O (316.157555)


   

1-[2-[Cyano-(4,6-dimethyl-2-pyrimidinyl)amino]-1-oxoethyl]-4-piperidinecarboxamide

1-[2-[Cyano-(4,6-dimethyl-2-pyrimidinyl)amino]-1-oxoethyl]-4-piperidinecarboxamide

C15H20N6O2 (316.164766)


   

2-[4-(2-hydroxyphenyl)-1-piperazinyl]-N-(5-methyl-3-isoxazolyl)acetamide

2-[4-(2-hydroxyphenyl)-1-piperazinyl]-N-(5-methyl-3-isoxazolyl)acetamide

C16H20N4O3 (316.15353300000004)


   

2-anilino-N-(4-methylphenyl)-2-phenylacetamide

2-anilino-N-(4-methylphenyl)-2-phenylacetamide

C21H20N2O (316.157555)


   

1-(3,4-Dihydroxybenzyl)-2,2-dimethyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline-2-ium

1-(3,4-Dihydroxybenzyl)-2,2-dimethyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline-2-ium

C18H22NO4+ (316.1548752)


   

(5alpha,17S)-14-hydroxy-3-methoxy-17-methyl-6-oxo-4,5-epoxymorphinan-17-ium

(5alpha,17S)-14-hydroxy-3-methoxy-17-methyl-6-oxo-4,5-epoxymorphinan-17-ium

C18H22NO4+ (316.1548752)


   

6-De(cyclopropylamino)-6-(3-methoxyazetidin-1-yl)abacavir

6-De(cyclopropylamino)-6-(3-methoxyazetidin-1-yl)abacavir

C15H20N6O2 (316.164766)


   

(S)-6-O-demethylreticuline

(S)-6-O-demethylreticuline

C18H22NO4+ (316.1548752)


   

Cyclopentylmalonic acid bis(trimethylsilyl) ester

Cyclopentylmalonic acid bis(trimethylsilyl) ester

C14H28O4Si2 (316.15260480000006)


   

2-(4-Azido-1-oxobutyl)pyrrolidine-1-carboxylic acid benzyl ester

2-(4-Azido-1-oxobutyl)pyrrolidine-1-carboxylic acid benzyl ester

C16H20N4O3 (316.15353300000004)


   

S(-)-3-morpholino-4-(3-tert-butylamino-2-hydroxypropoxy)-1,2,5-thiadiazole

1-(tert-butylamino)-3-{[4-(morpholin-4-yl)-1,2,5-thiadiazol-3-yl]oxy}propan-2-ol

C13H24N4O3S (316.15690340000003)


   

(S)-norreticuline(1+)

(S)-norreticuline(1+)

C18H22NO4 (316.1548752)


A secondary ammonium ion that is the conjugate acid of (S)-norreticuline, resulting from the protonation of the secondary amino group. The major species at pH 7.3.