Exact Mass: 159.1259

Exact Mass Matches: 159.1259

Found 112 metabolites which its exact mass value is equals to given mass value 159.1259, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

2-aminooctanoate

DL-alpha-Amino-N-caprylic acid

C8H17NO2 (159.1259)


DL-2-Aminooctanoic acid, also known as a-aminocaprylate or alpha-aminocaprylic acid, belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). DL-2-Aminooctanoic acid is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Outside of the human body, DL-2-Aminooctanoic acid has been detected, but not quantified in cow milk. alpha-Aminooctanoic acid is an amino compound found occasionally in human urine. (PMID: 13447222)

   

Pregabalin

(3S)-3-(aminomethyl)-5-methylhexanoic acid

C8H17NO2 (159.1259)


Pregabalin is an anticonvulsant drug used for neuropathic pain, as an adjunct therapy for partial seizures, and in generalized anxiety disorder. It was designed as a more potent successor to gabapentin. Pregabalin is marketed by Pfizer under the trade name Lyrica. It is considered to have a dependence liability if misused, and is classified as a Schedule V drug in the U.S. [Wikipedia] D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents N - Nervous system > N02 - Analgesics > N02B - Other analgesics and antipyretics > N02BF - Gabapentinoids D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D002491 - Central Nervous System Agents > D000700 - Analgesics D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators

   

Aminovaleric acid betaine

5-(trimethylazaniumyl)pentanoate

C8H17NO2 (159.1259)


   

2-Ethyl-3-hydroxy-2,4,4-trimethyloxazolidine

2-Ethyl-1-hydroxy-2,5,5-trimethyl-3-oxazolidine

C8H17NO2 (159.1259)


   

3-(Aminomethyl)-5-methylhexanoic acid

(S)-3-(Aminomethyl)-5-methylhexanoic acid

C8H17NO2 (159.1259)


D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D002491 - Central Nervous System Agents > D000700 - Analgesics D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators

   

8-Aminooctanoic acid

Omega-aminocaprylic acid

C8H17NO2 (159.1259)


8-Aminooctanoic acid is an omega-amino fatty acid that is octanoic acid which carries an amino group at position 8. 8-aminooctanoic acid has a role as a human metabolite[1].

   

HMBOA hexose

3-Methyl-2-(trimethylazaniumyl)butanoic acid

C8H17NO2 (159.1259)


   

Ethyl leucinate

Ethyl leucinate

C8H17NO2 (159.1259)


   

CHEMBL3234367

CHEMBL3234367

C8H17NO2 (159.1259)


   

Valine betaine

Valine betaine

C8H17NO2 (159.1259)


MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; REWYJJRDEOKNBQ-UHFFFAOYSA-N_STSL_0040_Valine betaine_0500fmol_180407_S2_LC02_MS02_73; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I.

   

delta-Valerobetaine

delta-Valerobetaine

C8H17NO2 (159.1259)


delta-Valerobetaine is a precursor of trimethylamine N-oxide (TMAO).

   

propyl betaine

propyl betaine

C8H17NO2 (159.1259)


   

SCHEMBL13018009

SCHEMBL13018009

C8H17NO2 (159.1259)


   

1,2,3-trideoxy-1-C-ethyl-beta-galactonojirimycin

1,2,3-trideoxy-1-C-ethyl-beta-galactonojirimycin

C8H17NO2 (159.1259)


   

SCHEMBL6957597

SCHEMBL6957597

C8H17NO2 (159.1259)


   

2,3,4,6-tetradeoxy-4-dimethylaminohexose

2,3,4,6-tetradeoxy-4-dimethylaminohexose

C8H17NO2 (159.1259)


   

2-amino-6-methylheptanoic acid

2-amino-6-methylheptanoic acid

C8H17NO2 (159.1259)


   

SCHEMBL5490842

SCHEMBL5490842

C8H17NO2 (159.1259)


   

Ethyl 2-amino-4-methylpentanoate

Ethyl 2-amino-4-methylpentanoate

C8H17NO2 (159.1259)


   

Pregabalin

(3S)-3-(aminomethyl)-5-methylhexanoic acid

C8H17NO2 (159.1259)


D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents N - Nervous system > N02 - Analgesics > N02B - Other analgesics and antipyretics > N02BF - Gabapentinoids D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D002491 - Central Nervous System Agents > D000700 - Analgesics D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators CONFIDENCE standard compound; INTERNAL_ID 1668 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3129

   

DL-2-Aminooctanoic acid

DL-2-Aminooctanoic acid

C8H17NO2 (159.1259)


   

4-aminovaleric acid betaine

4-aminovaleric acid betaine

C8H17NO2 (159.1259)


MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; RXHVPPWXTMHWGY-UHFFFAOYSA-N_STSL_0042_4-aminovaleric acid betaine_0500fmol_180407_S2_LC02_MS02_81; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I.

   

5-Aminovaleric acid betaine

5-Aminovaleric acid betaine

C8H17NO2 (159.1259)


MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; CDLVFVFTRQPQFU-UHFFFAOYSA-N_STSL_0041_5-aminovaleric acid betaine_0500fmol_180407_S2_LC02_MS02_17; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I.

   

Norvaline betaine

Norvaline betaine

C8H17NO2 (159.1259)


MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; HLERILKGMXJNBU-UHFFFAOYSA-N_STSL_0039_Norvaline betaine_0125fmol_180407_S2_LC02_MS02_40; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I.

   

2-Aminocaprylic acid; AIF; CE30; CorrDec

2-Aminocaprylic acid; AIF; CE30; CorrDec

C8H17NO2 (159.1259)


   

2-Aminocaprylic acid; AIF; CE10; CorrDec

2-Aminocaprylic acid; AIF; CE10; CorrDec

C8H17NO2 (159.1259)


   

2-Aminocaprylic acid; AIF; CE0; MS2Dec

2-Aminocaprylic acid; AIF; CE0; MS2Dec

C8H17NO2 (159.1259)


   

2-Aminocaprylic acid; AIF; CE10; MS2Dec

2-Aminocaprylic acid; AIF; CE10; MS2Dec

C8H17NO2 (159.1259)


   

2-Aminocaprylic acid; AIF; CE30; MS2Dec

2-Aminocaprylic acid; AIF; CE30; MS2Dec

C8H17NO2 (159.1259)


   

2-Aminocaprylic acid; AIF; CE0; CorrDec

2-Aminocaprylic acid; AIF; CE0; CorrDec

C8H17NO2 (159.1259)


   

2-Aminocaprylic acid; LC-tDDA; CE10

2-Aminocaprylic acid; LC-tDDA; CE10

C8H17NO2 (159.1259)


   

2-Aminocaprylic acid; LC-tDDA; CE20

2-Aminocaprylic acid; LC-tDDA; CE20

C8H17NO2 (159.1259)


   

2-Aminocaprylic acid; LC-tDDA; CE30

2-Aminocaprylic acid; LC-tDDA; CE30

C8H17NO2 (159.1259)


   

2-Aminocaprylic acid; LC-tDDA; CE40

2-Aminocaprylic acid; LC-tDDA; CE40

C8H17NO2 (159.1259)


   

8-Aminooctanoic acid

8-Amino Caprylic acid

C8H17NO2 (159.1259)


An omega-amino fatty acid that is octanoic acid which carries an amino group at position 8. 8-Aminooctanoic acid is an omega-amino fatty acid that is octanoic acid which carries an amino group at position 8. 8-aminooctanoic acid has a role as a human metabolite[1].

   

3-amino-octanoic acid

Octanoic acid, 3-amino-, (1)-

C8H17NO2 (159.1259)


   

methacholine

methacholine

C8H17NO2 (159.1259)


   

4-hydroxy Nonenal-d3

4-hydroxy Nonenal-d3

C9H13D3O2 (159.1339)


   

2-amino-octanoic acid

DL-2-amino-octanoic acid

C8H17NO2 (159.1259)


   

8-Aminocaprylic acid

8-Aminocaprylic acid

C8H17NO2 (159.1259)


   

Carbamic acid, propyl-, 1,1-dimethylethyl ester (9CI)

Carbamic acid, propyl-, 1,1-dimethylethyl ester (9CI)

C8H17NO2 (159.1259)


   

tert-butyl 2-aminobutanoate

tert-butyl 2-aminobutanoate

C8H17NO2 (159.1259)


   

3-Aminooctanoic acid

3-Aminooctanoic acid

C8H17NO2 (159.1259)


A beta-amino acid that is caprylic acid which is substituted by an amino group at position 3.

   

ethyl 2-(tert-butylamino)acetate

ethyl 2-(tert-butylamino)acetate

C8H17NO2 (159.1259)


   

(R)-3-AMINO-4-(4-FLUOROPHENYL)BUTANOICACIDHYDROCHLORIDE

(R)-3-AMINO-4-(4-FLUOROPHENYL)BUTANOICACIDHYDROCHLORIDE

C8H17NO2 (159.1259)


   

3-(TETRAHYDROFURAN-2-YLMETHOXY)PROPAN-1-AMINE

3-(TETRAHYDROFURAN-2-YLMETHOXY)PROPAN-1-AMINE

C8H17NO2 (159.1259)


   

N-(2-Methoxyethyl)-N-(tetrahydrofuran-2-ylmethyl)-amine

N-(2-Methoxyethyl)-N-(tetrahydrofuran-2-ylmethyl)-amine

C8H17NO2 (159.1259)


   

(R)-2-AMINOOCTANOIC ACID

(R)-2-AMINOOCTANOIC ACID

C8H17NO2 (159.1259)


   

(S)-2-AMINO-1-((R)-TETRAHYDRO-2H-PYRAN-3-YL)PROPAN-2-OL

(S)-2-AMINO-1-((R)-TETRAHYDRO-2H-PYRAN-3-YL)PROPAN-2-OL

C8H17NO2 (159.1259)


   

[4-(methylaminomethyl)oxan-4-yl]methanol

[4-(methylaminomethyl)oxan-4-yl]methanol

C8H17NO2 (159.1259)


   

2-Propylnorvaline

2-Propylnorvaline

C8H17NO2 (159.1259)


   

N-Methoxy-N-methylhexanamide

N-Methoxy-N-methylhexanamide

C8H17NO2 (159.1259)


   

3-AMINO-4-METHYL-HEPTANOIC ACID

3-AMINO-4-METHYL-HEPTANOIC ACID

C8H17NO2 (159.1259)


   

4-FLUORO-3-METHYLPHENYLBORONICACID

4-FLUORO-3-METHYLPHENYLBORONICACID

C8H17NO2 (159.1259)


   

1-(dimethoxymethyl)piperidine

1-(dimethoxymethyl)piperidine

C8H17NO2 (159.1259)


   

3-Morpholin-4-ylbutan-1-ol

3-Morpholin-4-ylbutan-1-ol

C8H17NO2 (159.1259)


   

(R)-2-Amino-2-ethylhexanoic acid

(R)-2-Amino-2-ethylhexanoic acid

C8H17NO2 (159.1259)


   

2-amino-2-ethylhexanoic acid

2-amino-2-ethylhexanoic acid

C8H17NO2 (159.1259)


   

(4-Methoxy-1-methyl-4-piperidinyl)methanol

(4-Methoxy-1-methyl-4-piperidinyl)methanol

C8H17NO2 (159.1259)


   

2,3-dihydro-3α-hydroxy-8-methylnortropidine

2,3-dihydro-3α-hydroxy-8-methylnortropidine

C8H17NO2 (159.1259)


   

1,2-Propanediol,3-(1-piperidinyl)-

1,2-Propanediol,3-(1-piperidinyl)-

C8H17NO2 (159.1259)


   

2-(2,6-Dimethyl-4-morpholinyl)ethanol

2-(2,6-Dimethyl-4-morpholinyl)ethanol

C8H17NO2 (159.1259)


   

(S)-3-AMINO-3-93-HYDROXY-PHNEYL)-PROPIONICACID

(S)-3-AMINO-3-93-HYDROXY-PHNEYL)-PROPIONICACID

C8H17NO2 (159.1259)


   

Ethyl 6-Aminohexanoate

Ethyl 6-Aminohexanoate

C8H17NO2 (159.1259)


   

Butanoic acid, 4-amino-, 1,1-dimethylethyl ester

Butanoic acid, 4-amino-, 1,1-dimethylethyl ester

C8H17NO2 (159.1259)


   

4-(dimethoxymethyl)piperidine

4-(dimethoxymethyl)piperidine

C8H17NO2 (159.1259)


   

Methyl 7-aminoheptanoate hydrochloride

Methyl 7-aminoheptanoate hydrochloride

C8H17NO2 (159.1259)


   

3-amino-2,2,3,3-tetramethylpropionic acid methyl ester

3-amino-2,2,3,3-tetramethylpropionic acid methyl ester

C8H17NO2 (159.1259)


   

2-(2-pyrrolidin-1-ylethoxy)ethanol

2-(2-pyrrolidin-1-ylethoxy)ethanol

C8H17NO2 (159.1259)


   

b-Alanine, N,N-diethyl-, methylester

b-Alanine, N,N-diethyl-, methylester

C8H17NO2 (159.1259)


   

4-AMINO-N-BENZYLBENZAMIDE

4-AMINO-N-BENZYLBENZAMIDE

C8H17NO2 (159.1259)


   

ethyl 2-amino-2-methylpentanoate

ethyl 2-amino-2-methylpentanoate

C8H17NO2 (159.1259)


   

Ethyl N-(2-butyl)glycinate

Ethyl N-(2-butyl)glycinate

C8H17NO2 (159.1259)


   

Norleucine, 2-ethyl-

Norleucine, 2-ethyl-

C8H17NO2 (159.1259)


   

2-(TETRAHYDRO-2-FURANMETHOXY)-1-PROPANAMINE

2-(TETRAHYDRO-2-FURANMETHOXY)-1-PROPANAMINE

C8H17NO2 (159.1259)


   

tert-Butyl (3R)-3-aminobutanoate

tert-Butyl (3R)-3-aminobutanoate

C8H17NO2 (159.1259)


   

tert-Butyl N-methyl-β-alaninate

tert-Butyl N-methyl-β-alaninate

C8H17NO2 (159.1259)


   

2-Isopropyl-3-oxazolidineethanol

2-Isopropyl-3-oxazolidineethanol

C8H17NO2 (159.1259)


   

(R*,S*)-4-HYDROXY-ALPHA-[1-(METHYLAMINO)ETHYL]BENZYLALCOHOL

(R*,S*)-4-HYDROXY-ALPHA-[1-(METHYLAMINO)ETHYL]BENZYLALCOHOL

C8H17NO2 (159.1259)


   

[1-(2-Methoxyethyl)pyrrolidin-3-yl]Methanol

[1-(2-Methoxyethyl)pyrrolidin-3-yl]Methanol

C8H17NO2 (159.1259)


   

Pentane,2,2,4-trimethyl-4-nitro-

Pentane,2,2,4-trimethyl-4-nitro-

C8H17NO2 (159.1259)


   

(2S)-2-Ammoniooctanoate

(2S)-2-Ammoniooctanoate

C8H17NO2 (159.1259)


   

hydrocinnamic-d9 acid

hydrocinnamic-d9 acid

C9HD9O2 (159.1246)


   

(2S)-2-amino-3-(tetrahydro-2H-pyran-3-yl)propan-1-ol

(2S)-2-amino-3-(tetrahydro-2H-pyran-3-yl)propan-1-ol

C8H17NO2 (159.1259)


   

2-Methyl-2-propanyl 3-aminobutanoate

2-Methyl-2-propanyl 3-aminobutanoate

C8H17NO2 (159.1259)


   

2-Methyl-2-propanyl N-ethylglycinate

2-Methyl-2-propanyl N-ethylglycinate

C8H17NO2 (159.1259)


   

Ethyl 3-(isopropylamino)propanoate

Ethyl 3-(isopropylamino)propanoate

C8H17NO2 (159.1259)


   

Octanohydroxamic acid

Octanohydroxamic acid

C8H17NO2 (159.1259)


   

ethyl 4-(dimethylamino)butanoate

ethyl 4-(dimethylamino)butanoate

C8H17NO2 (159.1259)


   

(2-METHOXY-BENZYL)-HYDRAZINE

(2-METHOXY-BENZYL)-HYDRAZINE

C8H17NO2 (159.1259)


   

tert-Butyl (3S)-3-aminobutanoate

tert-Butyl (3S)-3-aminobutanoate

C8H17NO2 (159.1259)


   

3-amino-5,5-dimethyl-hexanoic acid

3-amino-5,5-dimethyl-hexanoic acid

C8H17NO2 (159.1259)


   

methyl 3-(butylamino)propanoate

methyl 3-(butylamino)propanoate

C8H17NO2 (159.1259)


   

3-Amino-4-ethylhexanoic acid

3-Amino-4-ethylhexanoic acid

C8H17NO2 (159.1259)


   

(R)-Pregabalin

(R)-Pregabalin

C8H17NO2 (159.1259)


   

N-(2-HYDROXYPHENYL)PROPANAMIDE

N-(2-HYDROXYPHENYL)PROPANAMIDE

C8H17NO2 (159.1259)


   

Methyl 7-aminoheptanoate

Methyl 7-aminoheptanoate

C8H17NO2 (159.1259)


   

H-Aib-OtBu.HCl

H-Aib-OtBu.HCl

C8H17NO2 (159.1259)


   

2-(Aminomethyl)pentanoic acid ethyl ester

2-(Aminomethyl)pentanoic acid ethyl ester

C8H17NO2 (159.1259)


   
   

N-Hydroxy-2-propylpentanamide

N-Hydroxy-2-propylpentanamide

C8H17NO2 (159.1259)


   

N-(2-Hydroxyethyl)hexanamide

N-(2-Hydroxyethyl)hexanamide

C8H17NO2 (159.1259)


   

4-(Trimethylammonio)pentanoate

4-(Trimethylammonio)pentanoate

C8H17NO2 (159.1259)


   

2-(Diethylamino)ethyl acetate

2-(Diethylamino)ethyl acetate

C8H17NO2 (159.1259)


   

2-Azaniumyloctanoate

2-Azaniumyloctanoate

C8H17NO2 (159.1259)


   

delta-Guanidovaleramide

delta-Guanidovaleramide

C6H15N4O+ (159.1246)


   

2-Aminocaprylic acid

(2S)-2-Ammoniooctanoate

C8H17NO2 (159.1259)


An alpha-amino fatty acid that is caprylic acid which is substituted at position 2 by an amino group.

   

2-aminooctanoic acid zwitterion

2-aminooctanoic acid zwitterion

C8H17NO2 (159.1259)


An alpha-amino acid zwitterion that is 2-aminooctanoic acid in which a proton has been transferred from the carboxy group to the amino group. It is the major species at pH 7.3.

   

HMBOA hexose

HMBOA hexose

C8H17NO2 (159.1259)


   

Aminooctanoic acid

Aminooctanoic acid

C8H17NO2 (159.1259)


   

N,N,N-trimethyl-5-aminovalerate

N,N,N-trimethyl-5-aminovalerate

C8H17NO2 (159.1259)


   

n-(1-hydroxy-4-methylpentan-2-yl)ethanimidic acid

n-(1-hydroxy-4-methylpentan-2-yl)ethanimidic acid

C8H17NO2 (159.1259)