Exact Mass: 104.1313

Exact Mass Matches: 104.1313

Found 83 metabolites which its exact mass value is equals to given mass value 104.1313, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Choline

(2-hydroxyethyl)trimethylazanium

[C5H14NO]+ (104.1075)


Choline is a basic constituent of lecithin that is found in many plants and animal organs. It is important as a precursor of acetylcholine, as a methyl donor in various metabolic processes, and in lipid metabolism. Choline is now considered to be an essential vitamin. While humans can synthesize small amounts (by converting phosphatidylethanolamine to phosphatidylcholine), it must be consumed in the diet to maintain health. Required levels are between 425 mg/day (female) and 550 mg/day (male). Milk, eggs, liver, and peanuts are especially rich in choline. Most choline is found in phospholipids, namely phosphatidylcholine or lecithin. Choline can be oxidized to form betaine, which is a methyl source for many reactions (i.e. conversion of homocysteine into methionine). Lack of sufficient amounts of choline in the diet can lead to a fatty liver condition and general liver damage. This arises from the lack of VLDL, which is necessary to transport fats away from the liver. Choline deficiency also leads to elevated serum levels of alanine amino transferase and is associated with increased incidence of liver cancer. Nutritional supplement. Occurs free and combined in many animal and vegetable foods with highest concentrations found in egg yolk, meat, fish, milk, cereaks and legumes Choline. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=62-49-7 (retrieved 2024-06-29) (CAS RN: 62-49-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

   

1,3-Pentanediol

pentane-1,3-diol

C5H12O2 (104.0837)


   

N-(2-Hydroxyethyl)ethylenediamine

N-(2-Hydroxyethyl)ethylenediamine monohydrochloride

C4H12N2O (104.095)


   

2-Isopropoxyethanol

2-(propan-2-yloxy)ethan-1-ol

C5H12O2 (104.0837)


   

2,2-Dimethoxypropane

2,2-Dimethoxypropane

C5H12O2 (104.0837)


   

Pentane-2,3-diol

Pentane-2,3-diol

C5H12O2 (104.0837)


   

3-ethoxy-1-propanol

3-ethoxypropan-1-ol

C5H12O2 (104.0837)


Flavouring compound [Flavornet]

   

Choline

Choline

[C5H14NO]+ (104.1075)


D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents > D008082 - Lipotropic Agents D002491 - Central Nervous System Agents > D018697 - Nootropic Agents D009676 - Noxae > D000963 - Antimetabolites D005765 - Gastrointestinal Agents

   

2-Methyl-1,3-butanediol

2-Methyl-1,3-butanediol

C5H12O2 (104.0837)


   

3-Methoxy-2-butanol

3-Methoxy-2-butanol

C5H12O2 (104.0837)


   

1,1-DIMETHOXYPROPANE

1,1-DIMETHOXYPROPANE

C5H12O2 (104.0837)


   

1,4-Diamino-2-butanol

1,4-Diamino-2-butanol

C4H12N2O (104.095)


   

1,5-PENTANEDIOL

1,5-PENTANEDIOL

C5H12O2 (104.0837)


   

3-Ethoxy-1-propanol

3-Ethoxy-1-propanol

C5H12O2 (104.0837)


A hydroxyether that is propan-1-ol substituted by an ethoxy group at position 3.

   

Choline

Choline chloride

[C5H14NO]+ (104.1075)


MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; OEYIOHPDSNJKLS_STSL_0152_Choline_0125fmol_180430_S2_LC02_MS02_80; 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. D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents > D008082 - Lipotropic Agents D002491 - Central Nervous System Agents > D018697 - Nootropic Agents IPB_RECORD: 922; CONFIDENCE confident structure D009676 - Noxae > D000963 - Antimetabolites D005765 - Gastrointestinal Agents

   

Choline [M]+

Choline [M]+

C5H14NO+ (104.1075)


   
   

Choline

Choline Hydroxide

C5H14NO+ (104.1075)


A choline that is the parent compound of the cholines class, consisting of ethanolamine having three methyl substituents attached to the amino function. D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents > D008082 - Lipotropic Agents D002491 - Central Nervous System Agents > D018697 - Nootropic Agents D009676 - Noxae > D000963 - Antimetabolites D005765 - Gastrointestinal Agents

   

(R)-3-Methoxy-2-methylpropan-1-OL

(R)-3-METHOXY-2-METHYLPROPAN-1-OL

C5H12O2 (104.0837)


   

2,4-PENTANEDIOL

2,4-PENTANEDIOL

C5H12O2 (104.0837)


   

(2S)-2-[(PHENOXYACETYL)AMINO]PROPANOICACID

(2S)-2-[(PHENOXYACETYL)AMINO]PROPANOICACID

C5H12O2 (104.0837)


   

3-methoxybutan-2-ol

3-methoxybutan-2-ol

C5H12O2 (104.0837)


   

1,2-Dimethoxypropane

1,2-Dimethoxypropane

C5H12O2 (104.0837)


   

1-Ethoxy-2-propanol

1-Ethoxy-2-propanol

C5H12O2 (104.0837)


   

2-PROPOXYETHANOL

2-PROPOXYETHANOL

C5H12O2 (104.0837)


   

(2R)-2-Methyl-1,4-butanediol

(2R)-2-Methyl-1,4-butanediol

C5H12O2 (104.0837)


   

ethoxy propanol

ethoxy propanol

C5H12O2 (104.0837)


   

n-hexyl-1,1-d2 alcohol

n-hexyl-1,1-d2 alcohol

C6H12D2O (104.117)


   

(S)-1,2-DIAMINOPROPANEDIHYDROCHLORIDE

(S)-1,2-DIAMINOPROPANEDIHYDROCHLORIDE

C5H12O2 (104.0837)


   

2-Methoxy-1-butanol

2-Methoxy-1-butanol

C5H12O2 (104.0837)


   

Poly(ethylene glycol)

Poly(ethylene glycol)

C5H12O2 (104.0837)


   

(2R)-1-ACETYL-2,3-DIHYDRO-1H-INDOLE-2-CARBOXYLICACID

(2R)-1-ACETYL-2,3-DIHYDRO-1H-INDOLE-2-CARBOXYLICACID

C5H12O2 (104.0837)


   

(3-OXOPIPERAZIN-2-YL)ACETIC ACID

(3-OXOPIPERAZIN-2-YL)ACETIC ACID

C4H12N2O (104.095)


   

1,4-Butanediol,2-methyl-

1,4-Butanediol,2-methyl-

C5H12O2 (104.0837)


   

1,3-Dimethoxypropane

1,3-Dimethoxypropane

C5H12O2 (104.0837)


   

1,2-Pentanediol

1,2-Pentanediol

C5H12O2 (104.0837)


   

acetaldehyde ethyl methyl acetal

acetaldehyde ethyl methyl acetal

C5H12O2 (104.0837)


   

1-aminooxy-4-aminobutane

1-aminooxy-4-aminobutane

C4H12N2O (104.095)


   

2,2-Oxybis(ethylamine)

Ethanamine, 2,2-oxybis-

C4H12N2O (104.095)


   

4-methoxy-2-butanol

4-methoxy-2-butanol

C5H12O2 (104.0837)


   

tert-Amyl hydroperoxide

tert-Amyl hydroperoxide

C5H12O2 (104.0837)


   

2-Ethoxy-1-propanol

2-Ethoxy-1-propanol

C5H12O2 (104.0837)


   

2-ethylpropane-1,3-diol

2-ethylpropane-1,3-diol

C5H12O2 (104.0837)


   

1-Methoxy-2-butanol

1-Methoxy-2-butanol

C5H12O2 (104.0837)


   

2-Methoxy-2-methyl-1-propanol

2-Methoxy-2-methyl-1-propanol

C5H12O2 (104.0837)


   

Neopentyl glycol

Neopentyl glycol

C5H12O2 (104.0837)


   

(S)-2-Methyl-1,4-butanediol

(S)-2-Methyl-1,4-butanediol

C5H12O2 (104.0837)


   

3-Methyl-1,3-butanediol

3-Methyl-1,3-butanediol

C5H12O2 (104.0837)


   

pentane-1,4-diol

pentane-1,4-diol

C5H12O2 (104.0837)


   

UNII:SJ995B41AO

3-Methoxy-1-butanol

C5H12O2 (104.0837)


   

(2S,4S)-2,4-Pentanediol

(2S,4S)-2,4-Pentanediol

C5H12O2 (104.0837)


   

2-Methoxy(4,4,5,5-2H4)-4,5-dihydro-1H-imidazole

2-Methoxy(4,4,5,5-2H4)-4,5-dihydro-1H-imidazole

C4H4D4N2O (104.0888)


   

diethoxymethane

diethoxymethane

C5H12O2 (104.0837)


   

2-methylbutane-1,2-diol

2-methylbutane-1,2-diol

C5H12O2 (104.0837)


   

(2r,4r)-(-)-pentanediol

(2r,4r)-(-)-pentanediol

C5H12O2 (104.0837)


   

1-methoxy-2-methyl-2-propanol

1-methoxy-2-methyl-2-propanol

C5H12O2 (104.0837)


   

ethylene glycol ethyl methyl ether

ethylene glycol ethyl methyl ether

C5H12O2 (104.0837)


   

Ethanol, 2,2-iminobis-, N-tallow alkyl derivs.

Ethanol, 2,2-iminobis-, N-tallow alkyl derivs.

C4H12N2O (104.095)


   

1-fluorohexane

1-fluorohexane

C6H13F (104.1001)


   

Choline C-11

Choline C-11

C5H14NO+ (104.1075)


C1446 - Radiopharmaceutical Compound > C2124 - Radioconjugate COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

Methyl-d9-choline

Methyl-d9-choline

C5H14NO+ (104.1075)


   

2-Methylbutane-2,3-diol

2-Methylbutane-2,3-diol

C5H12O2 (104.0837)


   

Butoxymethanol

Butoxymethanol

C5H12O2 (104.0837)


   

N-hydroxyputrescine

N-hydroxyputrescine

C4H12N2O (104.095)


   

Pentane-2,3-diol

Pentane-2,3-diol

C5H12O2 (104.0837)


   

1,3-Pentanediol

1,3-Pentanediol

C5H12O2 (104.0837)


   

3-Methylbutane-1,2-diol

3-Methylbutane-1,2-diol

C5H12O2 (104.0837)


A glycol in which the two hydroxy groups are located at positions 1 and 2 of isopentane.

   

Ucar AC

InChI=1\C5H12O2\c1-5(2)7-4-3-6\h5-6H,3-4H2,1-2H

C5H12O2 (104.0837)


   

EP Solvent

Monopropyl ether of ethylene glycol

C5H12O2 (104.0837)


   

WLN: Q5Q

4-01-00-02540 (Beilstein Handbook Reference)

C5H12O2 (104.0837)


   

NPG Glycol

InChI=1\C5H12O2\c1-5(2,3-6)4-7\h6-7H,3-4H2,1-2H

C5H12O2 (104.0837)


   

Cadaverine(2+)

Cadaverine(2+)

C5H16N2+2 (104.1313)


   

N-methylputrescinium(2+)

N-methylputrescinium(2+)

C5H16N2+2 (104.1313)


COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

tert-Butoxymethanol

tert-Butoxymethanol

C5H12O2 (104.0837)


   

Diethylamino(oxido)azanium

Diethylamino(oxido)azanium

C4H12N2O (104.095)


   

(2s)-2-Amino-3-methyl-1-butanol

(2s)-2-Amino-3-methyl-1-butanol

C5H14NO+ (104.1075)


   

5-Hydroxypentan-2-aminium

5-Hydroxypentan-2-aminium

C5H14NO+ (104.1075)


   

2-Aminopentan-1-ol(1+)

2-Aminopentan-1-ol(1+)

C5H14NO+ (104.1075)


   

Cadaverine(2+)

Cadaverine(2+)

C5H16N2 (104.1313)


An alkane-alpha,omega-diammonium(2+) ion that is the doubly-charged ammonium ion, arising from protonation of both nitrogens of cadaverine. The major species at pH 7.3.

   

N-methylputrescinium(2+)

N-methylputrescinium(2+)

C5H16N2 (104.1313)


Dication of N-methylputrescine arising from protonation of both amino groups; major species at pH 7.3.

   

2-hydroxyputrescine

2-hydroxyputrescine

C4H12N2O (104.095)


An alkane-alpha,omega-diamine that is putrescine substituted by a hydroxy group at position 2.

   

1,4-diaminobutan-2-ol

1,4-diaminobutan-2-ol

C4H12N2O (104.095)


   

(2s,3r)-2-methylbutane-1,3-diol

(2s,3r)-2-methylbutane-1,3-diol

C5H12O2 (104.0837)