Exact Mass: 253.1314

Exact Mass Matches: 253.1314

Found 90 metabolites which its exact mass value is equals to given mass value 253.1314, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Irgarol

2-N-tert-butyl-4-N-cyclopropyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine

C11H19N5S (253.1361)

CONFIDENCE standard compound; INTERNAL_ID 55; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8830; ORIGINAL_PRECURSOR_SCAN_NO 8829 CONFIDENCE standard compound; INTERNAL_ID 55; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8893; ORIGINAL_PRECURSOR_SCAN_NO 8891 CONFIDENCE standard compound; INTERNAL_ID 55; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8806; ORIGINAL_PRECURSOR_SCAN_NO 8802 CONFIDENCE standard compound; INTERNAL_ID 55; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8852; ORIGINAL_PRECURSOR_SCAN_NO 8850 CONFIDENCE standard compound; INTERNAL_ID 55; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8811; ORIGINAL_PRECURSOR_SCAN_NO 8810 CONFIDENCE standard compound; INTERNAL_ID 55; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8878; ORIGINAL_PRECURSOR_SCAN_NO 8875 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 1011 CONFIDENCE standard compound; EAWAG_UCHEM_ID 302 CONFIDENCE standard compound; INTERNAL_ID 4008 CONFIDENCE standard compound; INTERNAL_ID 8798 CONFIDENCE standard compound; INTERNAL_ID 4034

Anantine

Cynometra ananta alkaloid C

C15H15N3O (253.1215)

Diethyl 1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate

3,5-Diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid

C13H19NO4 (253.1314)

Ethacridine

7-ethoxy-9-imino-9,10-dihydroacridin-3-amine

C15H15N3O (253.1215)

D000890 - Anti-Infective Agents C254 - Anti-Infective Agent

L-DOPA n-Butyl Ester

butyl 2-amino-3-(3,4-dihydroxyphenyl)propanoate

C13H19NO4 (253.1314)

Premazepam

3,7-Dihydro-5-phenyl-6,7-dimethylpyrrole(3,4-e)(1,4)diazepin-2-(1H)-one

C15H15N3O (253.1215)

Tuberostemospironine

Tuberostemospironine

C13H19NO4 (253.1314)

ethyl 1-cyclohexyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylate

ethyl 1-cyclohexyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylate

C13H19NO4 (253.1314)

2-(1-adamantylcarbonyl)hydrazine-1-carbothioamide

2-(1-adamantylcarbonyl)hydrazine-1-carbothioamide

C12H19N3OS (253.1249)

MCULE-4442501136

MCULE-4442501136

C13H19NO4 (253.1314)

(-)-Isoanantine|(??)-Isoanantine

(-)-Isoanantine|(??)-Isoanantine

C15H15N3O (253.1215)

C13H19NO4

C13H19NO4 (253.1314)

Deglucopterocereine

Deglucopterocereine

C13H19NO4 (253.1314)

methyl 4-amino-2-(2,3-dihydroxy-3-methylbutyl)benzoate

methyl 4-amino-2-(2,3-dihydroxy-3-methylbutyl)benzoate

C13H19NO4 (253.1314)

A benzoate ester that is methyl 4-aminobenzoate substituted by a 2,3-dihydroxy-3-methylbutyl group at position 2. It is isolated from the wood-decayed fungus Xylaria sp.BCC9653 and exhibits potent cytotoxicity against African green monkey kidney fibroblast (Vero) cells.

95727-08-5

95727-08-5

C13H19NO4 (253.1314)

N-Acetylmescaline

N-Acetylmescaline

C13H19NO4 (253.1314)

Norweberine

Norweberine

C13H19NO4 (253.1314)

N-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylbutyl]acetamide

NCGC00380372-01!N-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylbutyl]acetamide

C13H19NO4 (253.1314)

N-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylbutyl]acetamide

N-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylbutyl]acetamide

C13H19NO4 (253.1314)

N-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylbutyl]acetamide [IIN-based: Match]

NCGC00380372-01!N-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylbutyl]acetamide [IIN-based: Match]

C13H19NO4 (253.1314)

N-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylbutyl]acetamide [IIN-based on: CCMSLIB00000848409]

NCGC00380372-01!N-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylbutyl]acetamide [IIN-based on: CCMSLIB00000848409]

C13H19NO4 (253.1314)

4-(2-hydroxy-3-isopropyl-aminopropyl)benzoic scid

4-(2-hydroxy-3-isopropyl-aminopropyl)benzoic scid

C13H19NO4 (253.1314)

8-Azaspiro[4.5]decane-8-butanoic acid, 7,9-dioxo(buspirone metabolite)

8-Azaspiro[4.5]decane-8-butanoic acid, 7,9-dioxo(buspirone metabolite)

C13H19NO4 (253.1314)

3-Indolecarboxylic acid

3-Indolecarboxylic acid

C13H19NO4 (253.1314)

N-[1-(4-Methoxy-2-oxo-2H-pyran-6-yl)-2-methylbutyl]acetamide

N-[1-(4-Methoxy-2-oxo-2H-pyran-6-yl)-2-methylbutyl]acetamide

C13H19NO4 (253.1314)

1-(3-HYDROXYPROPYL)-1H-IMIDAZOLE

1-(3-HYDROXYPROPYL)-1H-IMIDAZOLE

C15H15N3O (253.1215)

N-[[2-chloro-5-(3-methoxypropyl)phenyl]methyl]cyclopropanamine

N-[[2-chloro-5-(3-methoxypropyl)phenyl]methyl]cyclopropanamine

C14H20ClNO (253.1233)

4-tert-butyl-2-(3-chlorophenyl)morpholine

4-tert-butyl-2-(3-chlorophenyl)morpholine

C14H20ClNO (253.1233)

2,4-BIS-(2-METHYL-IMIDAZOL-1-YL)-PHENYLAMINE

2,4-BIS-(2-METHYL-IMIDAZOL-1-YL)-PHENYLAMINE

C14H15N5 (253.1327)

Premazepam

6,7-dimethyl-5-phenyl-1,3-dihydropyrrolo[3,4-e][1,4]diazepin-2-one

C15H15N3O (253.1215)

C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent

3,3-Dimethyl-3H-spiro[benzo[c]furan-1,4-piperidine] hydrochloride

3,3-Dimethyl-3H-spiro[benzo[c]furan-1,4-piperidine] hydrochloride

C14H20ClNO (253.1233)

6-ethoxy-2,2,4-trimethyl-1H-quinoline,hydrochloride

6-ethoxy-2,2,4-trimethyl-1H-quinoline,hydrochloride

C14H20ClNO (253.1233)

5-fluoro-2-methoxypyridine-3-boronic acid pinacol ester

5-fluoro-2-methoxypyridine-3-boronic acid pinacol ester

C12H17BFNO3 (253.1285)

N-(3,4-dimethoxyphenyl)-Carbamic acid 1,1-dimethylethyl ester

N-(3,4-dimethoxyphenyl)-Carbamic acid 1,1-dimethylethyl ester

C13H19NO4 (253.1314)

5,6-dihydrobenzo[f]isoquinolin-1-yl(trimethyl)silane

5,6-dihydrobenzo[f]isoquinolin-1-yl(trimethyl)silane

C16H19NSi (253.1287)

(5-([TERT-BUTYL(DIMETHYL)SILYL]OXY)PYRIDIN-3-YL)BORONIC ACID

(5-([TERT-BUTYL(DIMETHYL)SILYL]OXY)PYRIDIN-3-YL)BORONIC ACID

C11H20BNO3Si (253.1305)

1-(2-fluoro-4-nitrophenyl)-3,5-dimethylpiperazine

1-(2-fluoro-4-nitrophenyl)-3,5-dimethylpiperazine

C12H16FN3O2 (253.1226)

1-Isopropyl-3-(4-fluorophenyl)-indole

1-Isopropyl-3-(4-fluorophenyl)-indole

C17H16FN (253.1267)

ST 91

ST 91

C13H20ClN3 (253.1346)

ST91 is a α2-adrenoceptor (α2AR) agonist. ST91 activates both α2AAR and non-α2AAR subtypes to produce spinal antinociception[1][2][3].

Ethyl 5-(acetoxymethyl)-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate

Ethyl 5-(acetoxymethyl)-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate

C13H19NO4 (253.1314)

ethyl 3-(ethoxycarbonyl)-1,4-dimethyl-1H-pyrrole-2-acetate

ethyl 3-(ethoxycarbonyl)-1,4-dimethyl-1H-pyrrole-2-acetate

C13H19NO4 (253.1314)

β-Piperidinopropiophenone hydrochloride

β-Piperidinopropiophenone hydrochloride

C14H20ClNO (253.1233)

1-(4-METHOXYBENZYL)-1H-INDAZOL-5-AMINE

1-(4-METHOXYBENZYL)-1H-INDAZOL-5-AMINE

C15H15N3O (253.1215)

2-(acetoxymethyl)4-(3-methoxypropoxy)-3-methylpyridine

2-(acetoxymethyl)4-(3-methoxypropoxy)-3-methylpyridine

C13H19NO4 (253.1314)

(R)-1-(TERT-BUTOXYCARBONYL)-2-(PROP-2-YN-1-YL)PYRROLIDINE-2-CARBOXYLIC ACID

(R)-1-(TERT-BUTOXYCARBONYL)-2-(PROP-2-YN-1-YL)PYRROLIDINE-2-CARBOXYLIC ACID

C13H19NO4 (253.1314)

tert-butyl N-(2,4-dimethoxyphenyl)carbamate

tert-butyl N-(2,4-dimethoxyphenyl)carbamate

C13H19NO4 (253.1314)

4-FLUORO-1,4-PIPERIDINEDICHARBOXYLIC ACID,1(1,1-DIMETHYLETHYL)ESTER, LITHIUM SALT

4-FLUORO-1,4-PIPERIDINEDICHARBOXYLIC ACID,1(1,1-DIMETHYLETHYL)ESTER, LITHIUM SALT

C11H17FLiNO4 (253.1302)

Boc-(S)-α-Propynyl-proline

Boc-(S)-α-Propynyl-proline

C13H19NO4 (253.1314)

tert-butyl 4-hydroxy-3-Methoxybenzylcarbamate

tert-butyl 4-hydroxy-3-Methoxybenzylcarbamate

C13H19NO4 (253.1314)

3-fluoro-4-(2-(pyrrolidin-1-yl)ethoxy)phenylboronic acid

3-fluoro-4-(2-(pyrrolidin-1-yl)ethoxy)phenylboronic acid

C12H17BFNO3 (253.1285)

(2-fluoro-4-((4-hydroxypiperidin-1-yl)Methyl)phenyl)boronic acid

(2-fluoro-4-((4-hydroxypiperidin-1-yl)Methyl)phenyl)boronic acid

C12H17BFNO3 (253.1285)

3,3-Dimethyl-3H-spiro[isobenzofuran-1,4-piperidine] hydrochloride

3,3-Dimethyl-3H-spiro[isobenzofuran-1,4-piperidine] hydrochloride

C14H20ClNO (253.1233)

3-(2-Ethoxycarbonyl-ethyl)-5-methyl-1H-pyrrole-2-carboxylic acid ethyl ester

3-(2-Ethoxycarbonyl-ethyl)-5-methyl-1H-pyrrole-2-carboxylic acid ethyl ester

C13H19NO4 (253.1314)

1-PHENYL-D5-AZO-2-NAPHTHOL

1-PHENYL-D5-AZO-2-NAPHTHOL

C16H7D5N2O (253.1263)

4-(1-ISOPROPYL-1H-PYRROLO[2,3-C]PYRIDIN-3-YL)PYRIMIDIN-2-AMINE

4-(1-ISOPROPYL-1H-PYRROLO[2,3-C]PYRIDIN-3-YL)PYRIMIDIN-2-AMINE

C14H15N5 (253.1327)

2-TERT-BUTYL 4-METHYL 3,5-DIMETHYL-1H-PYRROLE-2,4-DICARBOXYLATE

2-TERT-BUTYL 4-METHYL 3,5-DIMETHYL-1H-PYRROLE-2,4-DICARBOXYLATE

C13H19NO4 (253.1314)

DIETHYL 3-ISOPROPYL-1H-PYRROLE-2,4-DICARBOXYLATE

DIETHYL 3-ISOPROPYL-1H-PYRROLE-2,4-DICARBOXYLATE

C13H19NO4 (253.1314)

N-(2,4-Dimethoxybenzyl)glycine ethyl ester

N-(2,4-Dimethoxybenzyl)glycine ethyl ester

C13H19NO4 (253.1314)

(S)-2-N-CBZ-AMINOPENTANE-1,5-DIOL

(S)-2-N-CBZ-AMINOPENTANE-1,5-DIOL

C13H19NO4 (253.1314)

(R)-2-N-CBZ-AMINOPENTANE-1,5-DIOL

(R)-2-N-CBZ-AMINOPENTANE-1,5-DIOL

C13H19NO4 (253.1314)

acrylic acid, butyl prop-2-enoate, prop-2-enenitrile

acrylic acid, butyl prop-2-enoate, prop-2-enenitrile

C13H19NO4 (253.1314)

N-(2,4-dimethylphenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

N-(2,4-dimethylphenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

C14H15N5 (253.1327)

N-(3-phenylpropyl)-9H-purin-6-amine

N-(3-phenylpropyl)-9H-purin-6-amine

C14H15N5 (253.1327)

N-(2,3-Dihydro-1H-inden-5-yl)-5-methyl-2-pyrazinecarboxamide

N-(2,3-Dihydro-1H-inden-5-yl)-5-methyl-2-pyrazinecarboxamide

C15H15N3O (253.1215)

1-[4-(2-Oxo-2-Phenylethyl)phenyl]guanidine

1-[4-(2-Oxo-2-Phenylethyl)phenyl]guanidine

C15H15N3O (253.1215)

Ethacridine

Ethacridine

C15H15N3O (253.1215)

D000890 - Anti-Infective Agents C254 - Anti-Infective Agent

1-(1-Adamantylcarbonyl)thiosemicarbazide

1-(1-Adamantylcarbonyl)thiosemicarbazide

C12H19N3OS (253.1249)

L-DOPA n-Butyl Ester

butyl 2-amino-3-(3,4-dihydroxyphenyl)propanoate

C13H19NO4 (253.1314)

Elymoclavine aldehyde

Elymoclavine aldehyde

C16H17N2O+ (253.1341)

(1S)-1-[(2S)-2-amino-4-methylpentanamido]ethyl(methoxy)phosphinate

(1S)-1-[(2S)-2-amino-4-methylpentanamido]ethyl(methoxy)phosphinate

C9H22N2O4P+ (253.1317)

2-Amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

2-Amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C15H15N3O (253.1215)

2-Phenyl-5-(1-piperidinyl)-4-triazolecarbonitrile

2-Phenyl-5-(1-piperidinyl)-4-triazolecarbonitrile

C14H15N5 (253.1327)

N-(2-ethoxyphenyl)-1H-benzimidazol-2-amine

N-(2-ethoxyphenyl)-1H-benzimidazol-2-amine

C15H15N3O (253.1215)

Silanamine, 1,1,1-trimethyl-N-[3-[(trimethylsilyl)oxy]phenyl]-

Silanamine, 1,1,1-trimethyl-N-[3-[(trimethylsilyl)oxy]phenyl]-

C12H23NOSi2 (253.1318)

(3z,4s)-4-(1-methylimidazol-4-yl)-3-(phenylmethylidene)-4,5-dihydropyrrol-2-ol

(3z,4s)-4-(1-methylimidazol-4-yl)-3-(phenylmethylidene)-4,5-dihydropyrrol-2-ol

C15H15N3O (253.1215)

4-(1,5-dihydroxyhex-2-en-1-ylidene)-5-hydroxy-2-isopropyl-2h-pyrrol-3-one

4-(1,5-dihydroxyhex-2-en-1-ylidene)-5-hydroxy-2-isopropyl-2h-pyrrol-3-one

C13H19NO4 (253.1314)

(2e)-n-[(2r)-2-ethyl-5-methyl-3-oxofuran-2-yl]-5-hydroxy-3-methylpent-2-enimidic acid

(2e)-n-[(2r)-2-ethyl-5-methyl-3-oxofuran-2-yl]-5-hydroxy-3-methylpent-2-enimidic acid

C13H19NO4 (253.1314)

(1s,2s,8r,11r,14r)-14-hydroxy-12,12-dimethyl-9,13-dioxa-6-azatetracyclo[6.6.0.0¹,¹¹.0²,⁶]tetradecan-10-one

(1s,2s,8r,11r,14r)-14-hydroxy-12,12-dimethyl-9,13-dioxa-6-azatetracyclo[6.6.0.0¹,¹¹.0²,⁶]tetradecan-10-one

C13H19NO4 (253.1314)

14-hydroxy-12,12-dimethyl-9,13-dioxa-6-azatetracyclo[6.6.0.0¹,¹¹.0²,⁶]tetradecan-10-one

14-hydroxy-12,12-dimethyl-9,13-dioxa-6-azatetracyclo[6.6.0.0¹,¹¹.0²,⁶]tetradecan-10-one

C13H19NO4 (253.1314)

(2s,3s,4s,9'as)-3-hydroxy-4-methyl-hexahydro-1'h-spiro[oxolane-2,9'-pyrrolo[1,2-a]azepine]-3',5-dione

(2s,3s,4s,9'as)-3-hydroxy-4-methyl-hexahydro-1'h-spiro[oxolane-2,9'-pyrrolo[1,2-a]azepine]-3',5-dione

C13H19NO4 (253.1314)

n-[1-(4-methoxy-6-oxopyran-2-yl)-3-methylbutyl]ethanimidic acid

n-[1-(4-methoxy-6-oxopyran-2-yl)-3-methylbutyl]ethanimidic acid

C13H19NO4 (253.1314)

1-(hydroxymethyl)-6,7-dimethoxy-2-methyl-3,4-dihydro-1h-isoquinolin-5-ol

1-(hydroxymethyl)-6,7-dimethoxy-2-methyl-3,4-dihydro-1h-isoquinolin-5-ol

C13H19NO4 (253.1314)

(4s)-4,5-dihydroxy-4-[(2e)-5-hydroxyhex-2-en-1-yl]-2-(propan-2-ylidene)pyrrol-3-one

(4s)-4,5-dihydroxy-4-[(2e)-5-hydroxyhex-2-en-1-yl]-2-(propan-2-ylidene)pyrrol-3-one

C13H19NO4 (253.1314)

n-[(1s)-1-(4-methoxy-6-oxopyran-2-yl)-3-methylbutyl]ethanimidic acid

n-[(1s)-1-(4-methoxy-6-oxopyran-2-yl)-3-methylbutyl]ethanimidic acid

C13H19NO4 (253.1314)

n-[(1s,2s)-1-(4-methoxy-6-oxopyran-2-yl)-2-methylbutyl]ethanimidic acid

n-[(1s,2s)-1-(4-methoxy-6-oxopyran-2-yl)-2-methylbutyl]ethanimidic acid

C13H19NO4 (253.1314)

(2e)-n-[(2s)-2-ethyl-5-methyl-3-oxofuran-2-yl]-5-hydroxy-3-methylpent-2-enimidic acid

(2e)-n-[(2s)-2-ethyl-5-methyl-3-oxofuran-2-yl]-5-hydroxy-3-methylpent-2-enimidic acid

C13H19NO4 (253.1314)

n-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylbutyl]ethanimidic acid

n-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylbutyl]ethanimidic acid

C13H19NO4 (253.1314)

5,6,7,8-tetramethoxy-1,2,3,4-tetrahydroisoquinoline

5,6,7,8-tetramethoxy-1,2,3,4-tetrahydroisoquinoline

C13H19NO4 (253.1314)

(2s,4e)-4-[(2e)-1,5-dihydroxyhex-2-en-1-ylidene]-5-hydroxy-2-isopropyl-2h-pyrrol-3-one

(2s,4e)-4-[(2e)-1,5-dihydroxyhex-2-en-1-ylidene]-5-hydroxy-2-isopropyl-2h-pyrrol-3-one

C13H19NO4 (253.1314)

4,5-dihydroxy-4-(5-hydroxyhex-2-en-1-yl)-2-(propan-2-ylidene)pyrrol-3-one

4,5-dihydroxy-4-(5-hydroxyhex-2-en-1-yl)-2-(propan-2-ylidene)pyrrol-3-one

C13H19NO4 (253.1314)