Exact Mass: 118.0794

Exact Mass Matches: 118.0794

Found 103 metabolites which its exact mass value is equals to given mass value 118.0794, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

L-2,4-diaminobutyric acid

2,4-Diaminobutyric acid monohydrochloride, (+-)-isomer

C4H10N2O2 (118.0742)


L-3-Amino-isobutanoic acid is a component of branched-chain amino acid biosynthesis and metabolism. It can also be used in pyrimidine metabolism. L-3-Amino-isobutanoic acid is produced from S-methylmalonate semialdehyde by the enzyme 4-aminobutyrate aminotransferase. KEIO_ID D038 L-DABA (L-2,4-Diaminobutyric acid) is a week GABA transaminase inhibitor with an IC50 of larger than 500 μM; exhibits antitumor activity in vivo and in vitro. L-DABA (L-2,4-Diaminobutyric acid) is a week GABA transaminase inhibitor with an IC50 of larger than 500 μM; exhibits antitumor activity in vivo and in vitro.

   

3-Methylamino-L-alanine

(S)-2-AMINO-3-(METHYLAMINO)PROPANOIC ACID

C4H10N2O2 (118.0742)


D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018690 - Excitatory Amino Acid Agonists

   

alpha-Methylstyrene

1-Methyl-1-phenylethylene

C9H10 (118.0782)


alpha-Methylstyrene belongs to the family of Phenylpropenes. These are compounds containing a phenylpropene moeity, which consists of a propene substituent bound to a phenyl group.

   

2,4-Diaminobutyric acid

2,4-Diaminobutyric acid monohydrochloride, (+-)-isomer

C4H10N2O2 (118.0742)


2,4-Diaminobutyric acid, also known as 2,4-diaminobutanoate or Dbu, 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). 2,4-Diaminobutyric acid is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. 2,4-Diaminobutyric acid exists in all living organisms, ranging from bacteria to humans. Outside of the human body, 2,4-Diaminobutyric acid has been detected, but not quantified in cow milk. This could make 2,4-diaminobutyric acid a potential biomarker for the consumption of these foods. 2,4-Diaminobutyric acid is a non-physiological, cationic amino acid analogue that is transported into cells by System A with potent antitumoral activity in vitro against human glioma cells, the result of the pronounced concentrated uptake of DAB in glioma cells to the extent that a cellular lysis could occur due to osmotic reasons. 2,4-Diaminobutyric acid is a non-physiological, cationic amino acid analogue that is transported into cells by System A with potent antitumoral activity in vitro against human glioma cells, the result of the pronounced concentrated uptake of DAB in glioma cells to the extent that a cellular lysis could occur due to osmotic reasons. (PMID: 1561943) [HMDB] L-DABA (L-2,4-Diaminobutyric acid) is a week GABA transaminase inhibitor with an IC50 of larger than 500 μM; exhibits antitumor activity in vivo and in vitro. L-DABA (L-2,4-Diaminobutyric acid) is a week GABA transaminase inhibitor with an IC50 of larger than 500 μM; exhibits antitumor activity in vivo and in vitro.

   

Diisopropyl sulfide

2-(Propan-2-ylsulphanyl)propane

C6H14S (118.0816)


Diisopropyl sulfide, also known as 2,2-thiobis-propane, belongs to the class of organic compounds known as dialkylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two alkyl groups. Diisopropyl sulfide is possibly neutral. Diisopropyl sulfide is a garlic, sulfury, and vegetable tasting compound.

   

1-Hexanethiol

N-Hexyl mercaptan

C6H14S (118.0816)


1-Hexanethiol is found in animal foods. 1-Hexanethiol is a food additive listed in the EAFUS food Additive Database (Jan. 2001). 1-Hexanethiol is present in cooked meats. 1-Hexanethiol is a food flavouring agent. 1-Hexanethiol is a food additive listed in the EAFUS Food Additive Database (Jan. 2001). It is found in cooked meats. Used as a food flavouring agent.

   

Dipropyl sulfide

3,3-Bis(benzylamino)-3,3-dioxo-dipropylsulfide

C6H14S (118.0816)


Dipropyl sulfide is found in soft-necked garlic. Dipropyl sulfide is found in garlic, onion and mustard [Goodscents Found in garlic, onion and mustard [Goodscents]

   

Indane

2,3-dihydro-1H-indene

C9H10 (118.0782)


Indane belongs to the family of Indanes. These are compounds containing an indane moiety, which consists of a cyclopentane fused to a benzene ring.

   

N-Ethyl-N-(2-hydroxyethyl)nitrosamine

N-Nitroso-N-ethyl-N-(2-hydroxyethyl)amine

C4H10N2O2 (118.0742)


D009676 - Noxae > D002273 - Carcinogens

   

beta-N-Methylamino-L-alanine

alpha-amino-beta-Methylaminopropionate

C4H10N2O2 (118.0742)


   

4-Diaminobutyric acid

4,4-diaminobutanoic acid

C4H10N2O2 (118.0742)


   

4-Methylstyrene

1-(4-Methylphenyl)-1-ethene

C9H10 (118.0782)


P-methylstyrene, also known as 4-vinyltoluene or 1-ethenyl-4-methylbenzene, is a member of the class of compounds known as styrenes. Styrenes are organic compounds containing an ethenylbenzene moiety. P-methylstyrene can be found in guava, which makes P-methylstyrene a potential biomarker for the consumption of this food product. α-Methylstyrene (AMS) is a chemical intermediate used in the manufacture of plasticizers, resins and polymers. It is a co-product formed in a variation of the cumene process. The homopolymer obtained from this monomer, poly(α-methylstyrene), is unstable, being characterized by a low ceiling temperature .

   

alpha-N-Methylamino-l-alanine

2-amino-2-(methylamino)propanoic acid

C4H10N2O2 (118.0742)


   

beta-Methylstyrene

(prop-1-en-1-yl)benzene

C9H10 (118.0782)


   

Diaminobutyric acid

α-amino-α-aminobutyric acid

C4H10N2O2 (118.0742)


   

3,4-Dimethyl heptane

3,4-Dimethyl heptane

C9H10 (118.0782)


   

Ethyl isobutyl sulfide

Ethyl isobutyl sulfide

C6H14S (118.0816)


   

tert-Butyl ethyl sulfide

tert-Butyl ethyl sulfide

C6H14S (118.0816)


   

Methyl (1-methylbutyl) sulfide

Methyl (1-methylbutyl) sulfide

C6H14S (118.0816)


   

3-methylsulfanylpentane

3-methylsulfanylpentane

C6H14S (118.0816)


   

2,3-diaminobutanoic acid

2,3-diaminobutanoic acid

C4H10N2O2 (118.0742)


   

3,4-Diaminobutanoic acid

3,4-Diaminobutanoic acid

C4H10N2O2 (118.0742)


   

Butane, 2-methyl-3-(methylthio)-

Butane, 2-methyl-3-(methylthio)-

C6H14S (118.0816)


   

Amyl methyl sulfide

Pentane,1-(methylthio)-

C6H14S (118.0816)


   

Sulfide, methyl tert-pentyl

Sulfide, methyl tert-pentyl

C6H14S (118.0816)


   

ISOPROPYL N-PROPYL SULFIDE

ISOPROPYL N-PROPYL SULFIDE

C6H14S (118.0816)


   

Benzene, propenyl-

Benzene, propenyl-

C9H10 (118.0782)


   

Betaine

Betaine

[C5H12NO2]+ (118.0868)


[Raw Data] CBA64_Betaine_pos_20eV.txt [Raw Data] CBA64_Betaine_pos_10eV.txt

   

2,4-Diaminobutyric acid

2,4-Diaminobutanoic acid

C4H10N2O2 (118.0742)


A diamino acid that is butyric acid in which a hydrogen at position 2 and a hydrogen at position 4 are replaced by amino groups.

   

beta-N-Methylaminoalanine

beta-N-Methylaminoalanine

C4H10N2O2 (118.0742)


   
   

Betaine Hydrochloride

Betaine Hydrochloride

C5H12NO2+ (118.0868)


   

2,4-diamino-butyric acid

2,4-diamino-butanoic acid

C4H10N2O2 (118.0742)


   

Isopropyl sulphide

2-(propan-2-ylsulfanyl)propane

C6H14S (118.0816)


   

Propyl sulfide

3,3'-Bis(benzylamino)-3,3'-dioxo-Dipropylsulfide

C6H14S (118.0816)


   

Hexylthiol

4-01-00-01705 (Beilstein Handbook Reference)

C6H14S (118.0816)


   

trimethylammonioacetate

(carboxymethyl)trimethylazanium

C5H12NO2 (118.0868)


   

beta-Methylaminoalanine

beta-Methylaminoalanine

C4H10N2O2 (118.0742)


   

3-methylstyrene

3-methylstyrene

C9H10 (118.0782)


   

(1R,2R)-2-Fluorocyclohexanol

(1R,2R)-2-Fluorocyclohexanol

C6H11FO (118.0794)


   

dl-valine-2-d1

dl-valine-2-d1

C5H10DNO2 (118.0853)


   

phenylpropene

phenylpropene

C9H10 (118.0782)


   

2-Vinyltoluene

poly(vinyltoluene)

C9H10 (118.0782)


   

Threoninamide

L-threoninamide

C4H10N2O2 (118.0742)


   

β-Methylstyrene

Benzene,(1E)-1-propen-1-yl-

C9H10 (118.0782)


   

Ethanimidamide, monoacetate

Ethanimidamide, monoacetate

C4H10N2O2 (118.0742)


   

Cyclopropylbenzene

Cyclopropylbenzene

C9H10 (118.0782)


   

Butanoic acid,3-hydroxy-, hydrazide

Butanoic acid,3-hydroxy-, hydrazide

C4H10N2O2 (118.0742)


   

2-Methyl-2-pentanethiol

2-Methyl-2-pentanethiol

C6H14S (118.0816)


   

3-AMINO-N-ETHYL-N-PHENYLBENZAMIDE

3-AMINO-N-ETHYL-N-PHENYLBENZAMIDE

C4H10N2O2 (118.0742)


   

3-hexanethiol

3-hexanethiol

C6H14S (118.0816)


   

2,n-dihydroxy-2-methyl-propionamidine

2,n-dihydroxy-2-methyl-propionamidine

C4H10N2O2 (118.0742)


   

Butane, 1-(ethylthio)-

Butane, 1-(ethylthio)-

C6H14S (118.0816)


   

n-hydroxy-3-methoxy-propionamidine

n-hydroxy-3-methoxy-propionamidine

C4H10N2O2 (118.0742)


   

Methoxymethyl Trimethylsilane

Methoxymethyl Trimethylsilane

C5H14OSi (118.0814)


   

Allylbenzene

Allylbenzene

C9H10 (118.0782)


   

1-(TRIMETHYLSILYL)ETHANOL

1-(TRIMETHYLSILYL)ETHANOL

C5H14OSi (118.0814)


   

4-hydroxybutyric acid hydrazide

4-hydroxybutyric acid hydrazide

C4H10N2O2 (118.0742)


   

l-valine-2-d1

l-valine-2-d1

C5H10DNO2 (118.0853)


   

2-Hexanone, 6-fluoro- (9CI)

2-Hexanone, 6-fluoro- (9CI)

C6H11FO (118.0794)


   

N-(2-Aminoethyl)glycine

N-(2-Aminoethyl)glycine

C4H10N2O2 (118.0742)


   

Ethoxytrimethylsilane

Ethoxy(trimethyl)silane

C5H14OSi (118.0814)


   

2-(hydroxyamino)-2-methylpropanal oxime

2-(hydroxyamino)-2-methylpropanal oxime

C4H10N2O2 (118.0742)


   

dl-valine-3-d1

dl-valine-3-d1

C5H10DNO2 (118.0853)


   

D-Dab.2HCl

D-2,4-Diaminobutyric acid

C4H10N2O2 (118.0742)


A 2,4-diaminobutyric acid that has R-configuration.

   

2-(Trimethylsilyl)ethanol

2-(Trimethylsilyl)ethanol

C5H14OSi (118.0814)


   

2,3-diaminobutyric acid

2,3-diaminobutyric acid

C4H10N2O2 (118.0742)


   

Methylstyrene

Methylstyrene

C9H10 (118.0782)


   

2-ethoxyacetohydrazide

2-ethoxyacetohydrazide

C4H10N2O2 (118.0742)


   

Propane,2-(ethylthio)-2-methyl-

Propane,2-(ethylthio)-2-methyl-

C6H14S (118.0816)


   

3-(N-Methylamino)-D-alanine

3-(N-Methylamino)-D-alanine

C4H10N2O2 (118.0742)


   

2,3-Dimethyl-2-butanethiol

2,3-Dimethyl-2-butanethiol

C6H14S (118.0816)


   

2-hydroxy-2-methylpropanehydrazide

2-hydroxy-2-methylpropanehydrazide

C4H10N2O2 (118.0742)


   

3-methoxypropanehydrazide

3-methoxypropanehydrazide

C4H10N2O2 (118.0742)


   

(2S,3R)-2,3-Diaminobutanoic acid

(2S,3R)-2,3-Diaminobutanoic acid

C4H10N2O2 (118.0742)


   

(2r,3r)-2,3-diaminobutanoic Acid

(2r,3r)-2,3-diaminobutanoic Acid

C4H10N2O2 (118.0742)


   

delta-Amino valeric acid

delta-Amino valeric acid

C5H12NO2+ (118.0868)


   

WLN: 2U1R

InChI=1\C9H10\c1-2-6-9-7-4-3-5-8-9\h2-8H,1H3\b6-2

C9H10 (118.0782)


   

LS-2049

Isopropenylbenzene [UN2303] [Flammable liquid]

C9H10 (118.0782)


   

WLN: 1U2R

InChI=1\C9H10\c1-2-6-9-7-4-3-5-8-9\h2-5,7-8H,1,6H

C9H10 (118.0782)


   

H-Dab.HBr

L-2,4-Diaminobutyric acid

C4H10N2O2 (118.0742)


A 2,4-diaminobutyric acid that has S-configuration. 2,4-diaminobutyric acid, also known as L-2,4-diaminobutanoate or alpha,gamma-diaminobutyrate, is a member of the class of compounds known as L-alpha-amino acids. L-alpha-amino acids are alpha amino acids which have the L-configuration of the alpha-carbon atom. 2,4-diaminobutyric acid is soluble (in water) and a moderately acidic compound (based on its pKa). 2,4-diaminobutyric acid can be synthesized from butyric acid. 2,4-diaminobutyric acid is also a parent compound for other transformation products, including but not limited to, N(4)-acetyl-L-2,4-diaminobutyric acid, (2S)-2-acetamido-4-aminobutanoic acid, and L-alpha-amino-gamma-oxalylaminobutyric acid. 2,4-diaminobutyric acid can be found in a number of food items such as caraway, chia, atlantic herring, and chayote, which makes 2,4-diaminobutyric acid a potential biomarker for the consumption of these food products. 2,4-diaminobutyric acid can be found primarily in blood and urine. Moreover, 2,4-diaminobutyric acid is found to be associated with alzheimers disease. L-DABA (L-2,4-Diaminobutyric acid) is a week GABA transaminase inhibitor with an IC50 of larger than 500 μM; exhibits antitumor activity in vivo and in vitro. L-DABA (L-2,4-Diaminobutyric acid) is a week GABA transaminase inhibitor with an IC50 of larger than 500 μM; exhibits antitumor activity in vivo and in vitro.

   

(2S)-2-amino-3-(methylamino)propanoate

(2S)-2-amino-3-(methylamino)propanoate

C4H10N2O2 (118.0742)


   

4-Hydroxy-4-methylmorpholin-4-ium

4-Hydroxy-4-methylmorpholin-4-ium

C5H12NO2+ (118.0868)


   

Xyloisofagomine

Xyloisofagomine

C5H12NO2+ (118.0868)


   

Methyl 2-(aminomethylamino)acetate

Methyl 2-(aminomethylamino)acetate

C4H10N2O2 (118.0742)


   
   

L-valinium

L-valinium

C5H12NO2+ (118.0868)


The L-enantiomer of valinium.

   

D-valinium

D-valinium

C5H12NO2+ (118.0868)


The D-enantiomer of valinium.

   

L-BMAA

(S)-2-AMINO-3-(METHYLAMINO)PROPANOIC ACID

C4H10N2O2 (118.0742)


A non-proteinogenic L-alpha-amino acid that is L-alanine in which one of the methyl hydrogens is replaced by a methylamino group. A non-proteinogenic amino acid produced by cyanobacteria, it is a neurotoxin that has been postulated as a possible cause of neurodegenerative disorders of aging such as Alzheimers disease, amyotrophic lateral sclerosis, and the amyotrophic lateral sclerosis/parkinsonism-dementia complex (ALS-PDC) syndrome of Guam. D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018690 - Excitatory Amino Acid Agonists

   

Cystadane

Cystadane

C5H12NO2+ (118.0868)


D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents > D008082 - Lipotropic Agents D009676 - Noxae > D000963 - Antimetabolites COVID info from COVID-19 Disease Map D005765 - Gastrointestinal Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

2-Phenylpropene

1-Methyl-1-phenylethylene

C9H10 (118.0782)


   

4-Methylstyrene

4-Methylstyrene

C9H10 (118.0782)


   

hexanethiol

1-HEXANETHIOL

C6H14S (118.0816)


   

Indane

Indane

C9H10 (118.0782)


   

N-ETHYL-N-(2-HYDROXYETHYL)NITROSAMINE

N-ETHYL-N-(2-HYDROXYETHYL)NITROSAMINE

C4H10N2O2 (118.0742)


D009676 - Noxae > D002273 - Carcinogens

   

Diisopropyl sulfide

Diisopropyl sulfide

C6H14S (118.0816)


   

N,N,N-trimethylglycinium

N,N,N-trimethylglycinium

C5H12NO2 (118.0868)


A quaternary ammonium ion in which the substituents on nitrogen are methyl (three) and carboxymethyl.

   

Vinyl toluene

Vinyl toluene

C9H10 (118.0782)


   

β-methylamino L-alanine

2-amino-3-(methylamino)propanoic acid

C4H10N2O2 (118.0742)


beta-Methylamino-L-alanine 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). Based on a literature review very few articles have been published on beta-Methylamino-L-alanine.

   

methyl pentyl sulfide

methyl pentyl sulfide

C6H14S (118.0816)


   

(2r,3s)-2,3-diaminobutanoic acid

(2r,3s)-2,3-diaminobutanoic acid

C4H10N2O2 (118.0742)


   

[(2-aminoethyl)amino]acetic acid

[(2-aminoethyl)amino]acetic acid

C4H10N2O2 (118.0742)


   

(2s,3s)-2,3-diaminobutanoic acid

(2s,3s)-2,3-diaminobutanoic acid

C4H10N2O2 (118.0742)