Exact Mass: 253.2041682

Exact Mass Matches: 253.2041682

Found 90 metabolites which its exact mass value is equals to given mass value 253.2041682, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Sisthane

alpha-butyl-alpha-phenyl-1H-imidazole-1-propiononitrile

C16H19N3 (253.1578894)


   

2-({[(4-methoxyphenyl)methyl](methyl)amino}methyl)-2-methylpropane-1,3-diol

2-({[(4-methoxyphenyl)methyl](methyl)amino}methyl)-2-methylpropane-1,3-diol

C14H23NO3 (253.1677848)


   

O-Demethylmetoprolol

O-Desmethyl Metoprolol

C14H23NO3 (253.1677848)


   

Tolpropamine

dimethyl[3-(4-methylphenyl)-3-phenylpropyl]amine

C18H23N (253.1830398)


D - Dermatologicals > D04 - Antipruritics, incl. antihistamines, anesthetics, etc. > D04A - Antipruritics, incl. antihistamines, anesthetics, etc. > D04AA - Antihistamines for topical use C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist Tolpropamine is an alkylamine H1-antihistamine.

   

1R-cis-3,3,5-Trimethylcyclohexyl ester5-oxo-L-proline

3,3,5-Trimethylcyclohexyl 5-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylic acid

C14H23NO3 (253.1677848)


   

O-Demethylmetoprolol

1-[4-(2-hydroxyethyl)phenoxy]-3-[(propan-2-yl)amino]propan-2-ol

C14H23NO3 (253.1677848)


   
   
   
   
   

Anabasamine

Anabasamine

C16H19N3 (253.1578894)


Annotation level-1

   

3,5-Hexalobine A

3,5-Hexalobine A

C18H23N (253.1830398)


   

3,6-Hexalobine A

3,6-Hexalobine A

C18H23N (253.1830398)


   

(6R,8S)-(+)-herbindole C|(6R,8S)-herbindole C|herbindole C

(6R,8S)-(+)-herbindole C|(6R,8S)-herbindole C|herbindole C

C18H23N (253.1830398)


   
   
   
   

2-allyl-5-(2,3-dihydroxypropyl)-trans-decahydroquinoline

2-allyl-5-(2,3-dihydroxypropyl)-trans-decahydroquinoline

C15H27NO2 (253.2041682)


   

Dendrobates Alkaloid 253

Dendrobates Alkaloid 253

C15H27NO2 (253.2041682)


   

2-Methylbutanoyl-(-)-Lupinine

2-Methylbutanoyl-(-)-Lupinine

C15H27NO2 (253.2041682)


   

ANABASAMINE

NCGC00160193-01!ANABASAMINE

C16H19N3 (253.1578894)


   

MPL-dm

MPL-dm

C14H23NO3 (253.1677848)


CONFIDENCE Probable structure via diagnostic evidence, tentative identification (Level 2b); ALGAE_TP_ID 2801

   

Lauryl pyrrolidone

1-Dodecyl-2-pyrrolidinone

C16H31NO (253.24055159999997)


CONFIDENCE standard compound; INTERNAL_ID 153; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10729; ORIGINAL_PRECURSOR_SCAN_NO 10727 CONFIDENCE standard compound; INTERNAL_ID 153; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10715; ORIGINAL_PRECURSOR_SCAN_NO 10713 CONFIDENCE standard compound; INTERNAL_ID 153; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10757; ORIGINAL_PRECURSOR_SCAN_NO 10756 CONFIDENCE standard compound; INTERNAL_ID 153; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10775; ORIGINAL_PRECURSOR_SCAN_NO 10773 CONFIDENCE standard compound; INTERNAL_ID 153; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10773; ORIGINAL_PRECURSOR_SCAN_NO 10772 CONFIDENCE standard compound; INTERNAL_ID 153; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10759; ORIGINAL_PRECURSOR_SCAN_NO 10758

   

Anabasamine_major

Anabasamine_major

C16H19N3 (253.1578894)


   

(8S,Z)-6-((2R)-4-hydroxy-2-methylpentylidene)-8-methyloctahydroindolizin-8-ol

(8S,Z)-6-((2R)-4-hydroxy-2-methylpentylidene)-8-methyloctahydroindolizin-8-ol

C15H27NO2 (253.2041682)


   

(7R,8R,E)-8-methyl-6-((R)-2-methylpentylidene)octahydroindolizine-7,8-diol

(7R,8R,E)-8-methyl-6-((R)-2-methylpentylidene)octahydroindolizine-7,8-diol

C15H27NO2 (253.2041682)


   

3-((2R,5R)-2-allyldecahydroquinolin-5-yl)propane-1,2-diol

3-((2R,5R)-2-allyldecahydroquinolin-5-yl)propane-1,2-diol

C15H27NO2 (253.2041682)


   

3-O-Methylisoetharine

3-O-Methylisoetharine

C14H23NO3 (253.1677848)


   

Palmitoleamide

9Z-hexadecenamide

C16H31NO (253.24055159999997)


A primary fatty amide resulting from the formal condensation of the carboxy group of (9Z)-hexadecenoic acid with ammonia.

   

Obscuraminol B

1-deoxy-hexadecasphinga-7Z,15-dienine

C16H31NO (253.24055159999997)


   

Obscuraminol C

1-deoxy-hexadecasphinga-11E,15-dienine

C16H31NO (253.24055159999997)


   

5-tert-butyl-2-(diethylaminomethyl)furan-3-carboxylic acid

5-tert-butyl-2-(diethylaminomethyl)furan-3-carboxylic acid

C14H23NO3 (253.1677848)


   

1-Benzyl-4-(4-pyridinyl) piperazine

1-Benzyl-4-(4-pyridinyl) piperazine

C16H19N3 (253.1578894)


   

1-Dodecanone,1-(1-pyrrolidinyl)-

1-Dodecanone,1-(1-pyrrolidinyl)-

C16H31NO (253.24055159999997)


   

Aluminium 2-methyl-2-propanolate lithium (1:3:1)

Aluminium 2-methyl-2-propanolate lithium (1:3:1)

C12H27AlLiO3 (253.1935552)


   

tert-butyl 2-formyl-7-azaspiro[3.5]nonane-7-carboxylate

tert-butyl 2-formyl-7-azaspiro[3.5]nonane-7-carboxylate

C14H23NO3 (253.1677848)


   

Meladrazine

1,3,5-Triazine-2,4-diamine,N2,N2,N4,N4-tetraethyl-6-hydrazinyl-

C11H23N7 (253.2014838)


G - Genito urinary system and sex hormones > G04 - Urologicals > G04B - Urologicals > G04BD - Drugs for urinary frequency and incontinence C78272 - Agent Affecting Nervous System > C29698 - Antispasmodic Agent

   

isopropylmethoxamine

isopropylmethoxamine

C14H23NO3 (253.1677848)


   

aptazapine

aptazapine

C16H19N3 (253.1578894)


C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent

   

2-decylsulfanylethanamine,hydrochloride

2-decylsulfanylethanamine,hydrochloride

C12H28ClNS (253.1630878)


   
   

Crilvastatin

(3,3,5-Trimethylcyclohexyl) 5-oxopyrrolidine-2-carboxylate

C14H23NO3 (253.1677848)


D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents > D000924 - Anticholesteremic Agents D004791 - Enzyme Inhibitors > D019161 - Hydroxymethylglutaryl-CoA Reductase Inhibitors D009676 - Noxae > D000963 - Antimetabolites

   

ETHYL (1R,5R,6R)-5-(1-ETHYLPROPOXY)-7-AZABICYCLO[4.1.0]HEPT-3-ENE-3-CARBOXYLATE

ETHYL (1R,5R,6R)-5-(1-ETHYLPROPOXY)-7-AZABICYCLO[4.1.0]HEPT-3-ENE-3-CARBOXYLATE

C14H23NO3 (253.1677848)


   

trans-4-[4-(3-Pentenyl) cyclohexyl] benzonitrile

trans-4-[4-(3-Pentenyl) cyclohexyl] benzonitrile

C18H23N (253.1830398)


   

(S)-1-TOSYLOXY-3-BUTEN-1-OL

(S)-1-TOSYLOXY-3-BUTEN-1-OL

C18H23N (253.1830398)


   

(R)-(+)-2,3-EPOXYPROPYLHEXYLETHER

(R)-(+)-2,3-EPOXYPROPYLHEXYLETHER

C18H23N (253.1830398)


   

tert-butyl 4-oxo-8-azaspiro[4.5]decane-8-carboxylate

tert-butyl 4-oxo-8-azaspiro[4.5]decane-8-carboxylate

C14H23NO3 (253.1677848)


   
   

2-methyl-1-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-1H-isoquinoline

2-methyl-1-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-1H-isoquinoline

C18H23N (253.1830398)


   

benzyl-[(4-tert-butylphenyl)methyl]azanium

benzyl-[(4-tert-butylphenyl)methyl]azanium

C18H23N (253.1830398)


   

Salbutamol EP impurity A

Salbutamol EP impurity A

C14H23NO3 (253.1677848)


   

4-(TERT-BUTYL)-N,N-DIMETHYL-[1,1-BIPHENYL]-4-AMINE

4-(TERT-BUTYL)-N,N-DIMETHYL-[1,1-BIPHENYL]-4-AMINE

C18H23N (253.1830398)


   
   

N-cyclopentyl-2-methyl-5-phenylpyrimidin-4-amine

N-cyclopentyl-2-methyl-5-phenylpyrimidin-4-amine

C16H19N3 (253.1578894)


   

Solvent Yellow 56

4-(Diethylamino)azobenzene

C16H19N3 (253.1578894)


   

2-(3-oxodecahydroquinoxalin-2-yl)-N-propylacetamide

2-(3-oxodecahydroquinoxalin-2-yl)-N-propylacetamide

C13H23N3O2 (253.1790178)


   
   

tert-butyl 8-oxo-2-azaspiro[4.5]decane-2-carboxylate

tert-butyl 8-oxo-2-azaspiro[4.5]decane-2-carboxylate

C14H23NO3 (253.1677848)


   

Trimethyldiphenylpropylamine

Trimethyldiphenylpropylamine

C18H23N (253.1830398)


A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03A - Drugs for functional gastrointestinal disorders

   

3-Decyl-2,5-dioxo-4-hydroxy-3-pyrroline

3-Decyl-2,5-dioxo-4-hydroxy-3-pyrroline

C14H23NO3 (253.1677848)


   

2-(4-Dimethylaminostyryl)-1-ethylpyridinium

2-(4-Dimethylaminostyryl)-1-ethylpyridinium

C17H21N2+ (253.1704646)


   

1-Ethyl-4-[4-(dimethylamino)styryl]pyridinium

1-Ethyl-4-[4-(dimethylamino)styryl]pyridinium

C17H21N2+ (253.1704646)


   
   

tolpropamine

tolpropamine

C18H23N (253.1830398)


D - Dermatologicals > D04 - Antipruritics, incl. antihistamines, anesthetics, etc. > D04A - Antipruritics, incl. antihistamines, anesthetics, etc. > D04AA - Antihistamines for topical use C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist

   

Palmitoleate

Palmitoleate

C16H29O2- (253.2167434)


A hexadec-9-enoate that is the conjugate base of palmitoleic acid; major species at pH 7.3.

   

(E)-hexadec-2-enoate

(E)-hexadec-2-enoate

C16H29O2- (253.2167434)


A straight-chain unsaturated fatty acid anion that is the conjugate base of (E)-hexadec-2-enoic acid, obtained by deprotonation of the carboxy group.

   

Sapienate

Sapienate

C16H29O2- (253.2167434)


A long-chain unsaturated fatty acid anion that is the conjugate base of sapienic acid, obtained by deprotonation of the carboxy group.

   

Hexadec-9-enoate

Hexadec-9-enoate

C16H29O2- (253.2167434)


A long-chain unsaturated fatty acid anion that is the conjugate base of hexadec-9-enoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.

   

(7Z)-hexadecenoate

(7Z)-hexadecenoate

C16H29O2- (253.2167434)


A hexadecenoate that is the conjugate base of (7Z)-hexadecenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.

   

cis-Hexadecenoic acid

cis-Hexadecenoic acid

C16H29O2- (253.2167434)


   

(4Z)-hexadec-4-enoic acid

(4Z)-hexadec-4-enoic acid

C16H29O2- (253.2167434)


   
   
   

Fenapanil

alpha-butyl-alpha-phenyl-1H-imidazole-1-propiononitrile

C16H19N3 (253.1578894)


   

4-(4-Dimethylaminostyryl)-1-ethylpyridinium

4-(4-Dimethylaminostyryl)-1-ethylpyridinium

C17H21N2+ (253.1704646)


   

2-{2-[4-(Dimethylamino)phenyl]ethenyl}-1-ethylpyridin-1-ium

2-{2-[4-(Dimethylamino)phenyl]ethenyl}-1-ethylpyridin-1-ium

C17H21N2+ (253.1704646)


   

N2,N4-ditert-butyl-6-hydrazinyl-1,3,5-triazine-2,4-diamine

N2,N4-ditert-butyl-6-hydrazinyl-1,3,5-triazine-2,4-diamine

C11H23N7 (253.2014838)


   
   

2-Tert-butyl-9-methyl-1,2,3,4-tetrahydroacridine

2-Tert-butyl-9-methyl-1,2,3,4-tetrahydroacridine

C18H23N (253.1830398)


   

Trimethyl-[2-oxo-2-[(2,2,3-trimethyl-3-bicyclo[2.2.1]heptanyl)amino]ethyl]ammonium

Trimethyl-[2-oxo-2-[(2,2,3-trimethyl-3-bicyclo[2.2.1]heptanyl)amino]ethyl]ammonium

C15H29N2O+ (253.2279764)


   

An alpha-mycolate

An alpha-mycolate

C15H25O3- (253.18036)


   

5-Methyl-1-undecyl-2-pyrrolidone

5-Methyl-1-undecyl-2-pyrrolidone

C16H31NO (253.24055159999997)


   

Hexadecenoate

Hexadecenoate

C16H29O2 (253.2167434)


A long-chain unsaturated fatty acid anion that is the conjugate base of hexadecenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.

   
   

Adenine (hemisulfate)

Adenine (hemisulfate)

C5H5N5.1/2H2SO4 (253.1783662)


Adenine hemisulfate (6-Aminopurine hemisulfate), a purine, is one of the four nucleobases in the nucleic acid of DNA. Adenine hemisulfate acts as a chemical component of DNA and RNA. Adenine hemisulfate also plays an important role in biochemistry involved in cellular respiration, the form of both ATP and the cofactors (NAD and FAD), and protein synthesis[1][2]. Adenine hemisulfate (6-Aminopurine hemisulfate), a purine, is one of the four nucleobases in the nucleic acid of DNA. Adenine hemisulfate acts as a chemical component of DNA and RNA. Adenine hemisulfate also plays an important role in biochemistry involved in cellular respiration, the form of both ATP and the cofactors (NAD and FAD), and protein synthesis[1][2].

   

1-[(2r,6s)-6-[(2r)-2-hydroxypentyl]-1-methyl-5,6-dihydro-2h-pyridin-2-yl]butan-2-one

1-[(2r,6s)-6-[(2r)-2-hydroxypentyl]-1-methyl-5,6-dihydro-2h-pyridin-2-yl]butan-2-one

C15H27NO2 (253.2041682)


   

4-[(1e)-but-1-en-1-yl]-5,6,8-trimethyl-1h,6h,7h,8h-cyclopenta[g]indole

4-[(1e)-but-1-en-1-yl]-5,6,8-trimethyl-1h,6h,7h,8h-cyclopenta[g]indole

C18H23N (253.1830398)


   

(10z)-5-ethyl-1-oxa-4-azacyclopentadec-10-en-15-one

(10z)-5-ethyl-1-oxa-4-azacyclopentadec-10-en-15-one

C15H27NO2 (253.2041682)


   

3,5-bis(3-methylbut-2-en-1-yl)-1h-indole

3,5-bis(3-methylbut-2-en-1-yl)-1h-indole

C18H23N (253.1830398)


   

(2s,3r,7z)-2-aminohexadeca-7,15-dien-3-ol

(2s,3r,7z)-2-aminohexadeca-7,15-dien-3-ol

C16H31NO (253.24055159999997)