Exact Mass: 104.100123

Exact Mass Matches: 104.100123

Found 163 metabolites which its exact mass value is equals to given mass value 104.100123, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

2,3-Diaminopropionic acid

2,3-Diaminopropionic acid, (DL)-isomer, monohydrochloride

C3H8N2O2 (104.0585748)


2,3-Diaminopropionic acid, also known as L-2,3-diaminopropanoate or Dpr, belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom. 2,3-Diaminopropionic acid is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. 2,3-Diaminopropionic acid (2,3-diaminopropionate) is a non-proteinogenic amino acid found in certain secondary metabolites, including zwittermicin A and tuberactinomycin.2,3-Diaminopropionate is formed by the pyridoxal phosphate (PLP) mediated amination of serine. 2,3-Diaminopropionic acid exists in all living organisms, ranging from bacteria to humans. 2,3-Diaminopropionic acid is a metabolite of b-oxalyl-L-a,b-diaminopropionic acid a neurotoxic amino acid (ODAP). (PMID 5774501) COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

Choline

(2-hydroxyethyl)trimethylazanium

[C5H14NO]+ (104.10753340000001)


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).

   

Styrene

1,1-(1H-Pyrrole-2,5-diyl)diethanamine

C8H8 (104.0625968)


Styrene, also known as vinylbenzene or phenylethylene, belongs to the class of organic compounds known as styrenes. These are organic compounds containing an ethenylbenzene moiety. The metabolites of styrene are excreted mainly in the urine. Styrene is possibly neutral. Styrene is a sweet, balsamic, and floral tasting compound. Styrene has been detected, but not quantified, in several different foods, such as coffee and coffee products, fruits, cocoa and cocoa products, alcoholic beverages, and chinese cinnamons. This could make styrene a potential biomarker for the consumption of these foods. A minor pathway of styrene metabolism involves the formation of phenylacetaldehyde from styrene 7,8-oxide or cytochrome P450 conversion of styrene to pheylethanol and subsequent metabolism to phenylacetic acid. Styrene is formally rated as a possible carcinogen (by IARC 2B) and is also a potentially toxic compound. Styrene oxide is predominantly metabolized by epoxide hydrolase to form styrene glycol; the styrene glycol is subsequently converted to mandelic acid, phenylglyoxylic acid, and hippuric acid. Styrene, with regard to humans, has been found to be associated with several diseases such as nonalcoholic fatty liver disease and ulcerative colitis; styrene has also been linked to the inborn metabolic disorder celiac disease. Styrene may be absorbed following ingestion, inhalation, or dermal exposure. Breathing high levels of styrene may cause nervous system effects such as changes in color vision, tiredness, feeling drunk, slowed reaction time, concentration problems, or balance problems. Chest burning, wheezing, and dyspnea may also occur. Styrene causes nervous system depression and may be carcinogenic. Present in cranberry, bilberry, currants, grapes, vinegar, parsley, milk and dairy products, whisky, cocoa, coffee, tea, roasted filberts and peanuts. Flavouring ingredient. Polymers are used in ion-exchange resins in food processing. Indirect food additive arising from adhesives, oatings and packaging materials

   

3-aminoalanine

DL-2,3-Diaminopropionic acid monohydrochloride

C3H8N2O2 (104.0585748)


A diamino acid that is alanine in which one of the hydrogens of the methyl group is replaced by an amino group. KEIO_ID D037

   

Isopentyl mercaptan

1-Mercapto-3-methylbutane

C5H12S (104.06596719999999)


Isopentyl mercaptan is found in alcoholic beverages. Isopentyl mercaptan is found in beer. Isopentyl mercaptan is a flavouring agent. Found in beer. Flavouring agent

   

3-Methyl-2-butanethiol

1,2-Dimethylpropyl hydrosulfide

C5H12S (104.06596719999999)


3-Methyl-2-butanethiol is found in animal foods. 3-Methyl-2-butanethiol is a flavour enhancer for meat products. 3-Methyl-2-butanethiol is present in cooked beef. 3-Methyl-2-butanethiol is formed from thermal degradation of 4-Hydroxy-2,5-dimethyl-3(2H)-furanone FWS46-C in the presence of a sulfur sourc 3-Methyl-2-butanethiol is a flavouring enhancer for meat products. Present in cooked beef. Formed from thermal degradation of 4-Hydroxy-2,5-dimethyl-3(2H)-furanone in the presence of a sulfur source. It is also found in other animal foods.

   

1-Pentanethiol

Mercaptan amilique

C5H12S (104.06596719999999)


1-Pentanethiol is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")

   

2-Methyl-1-butanethiol

(±)-2-Methyl-1-butanethiol

C5H12S (104.06596719999999)


(±)-2-Methyl-1-butanethiol is a flavouring ingredien Flavouring ingredient

   

(±)-2-Pentanethiol

(±)-2-Pentanethiol

C5H12S (104.06596719999999)


(s)-2-pentanethiol is a member of the class of compounds known as alkylthiols. Alkylthiols are organic compounds containing the thiol functional group linked to an alkyl chain (s)-2-pentanethiol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (s)-2-pentanethiol can be found in fruits, which makes (s)-2-pentanethiol a potential biomarker for the consumption of this food product. (S)-2-Pentanethiol is found in fruits. (S)-2-Pentanethiol is a component of guava flavour (Psidium guajava).

   
   

N-(2-Hydroxyethyl)ethylenediamine

N-(2-Hydroxyethyl)ethylenediamine monohydrochloride

C4H12N2O (104.09495820000001)


   

2-Isopropoxyethanol

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

C5H12O2 (104.08372519999999)


   
   

Alanine amine

Amino 2-aminopropanoic acid

C3H8N2O2 (104.0585748)


   

(S)-2-Hydrazinopropionic acid

(S)-2-Hydrazinopropionic acid

C3H8N2O2 (104.0585748)


   
   

Ethyl isopropyl sulfide

2-(ethylsulfanyl)propane

C5H12S (104.06596719999999)


Ethyl isopropyl sulfide is a member of the class of compounds known as dialkylthioethers. Dialkylthioethers are organosulfur compounds containing a thioether group that is substituted by two alkyl groups. Ethyl isopropyl sulfide can be found in ginger, which makes ethyl isopropyl sulfide a potential biomarker for the consumption of this food product.

   

3-ethoxy-1-propanol

3-ethoxypropan-1-ol

C5H12O2 (104.08372519999999)


Flavouring compound [Flavornet]

   

Choline

Choline

[C5H14NO]+ (104.10753340000001)


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

   
   
   
   

3-hydroxy-1,1-dimethylurea

3-hydroxy-1,1-dimethylurea

C3H8N2O2 (104.0585748)


   
   
   
   
   
   

3-Ethoxy-1-propanol

3-Ethoxy-1-propanol

C5H12O2 (104.08372519999999)


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

   

Choline

Choline chloride

[C5H14NO]+ (104.10753340000001)


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

   

L-2,3-DIAMINOPROPIONIC ACID

"L-2,3-DIAMINOPROPIONIC ACID"

C3H8N2O2 (104.0585748)


   

2,3-diaminopropionic acid

L-2,3-Diaminopropionic acid

C3H8N2O2 (104.0585748)


   
   

STYRENE

1,1-(1H-Pyrrole-2,5-diyl)diethanamine

C8H8 (104.0625968)


A vinylarene that is benzene carrying a vinyl group. It has been isolated from the benzoin resin produced by Styrax species.

   

L-2,3-Diaminopropionic acid

L-2,3-Diaminopropionic acid

C3H8N2O2 (104.0585748)


COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

2_3-DIAMINOPROPIONATE

2_3-DIAMINOPROPIONATE

C3H8N2O2 (104.0585748)


   

Choline

Choline Hydroxide

C5H14NO+ (104.10753340000001)


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

   

2,3-diamino-propionic acid

2S,3-diamino-propionic acid

C3H8N2O2 (104.0585748)


   

Pentalarm

Mercaptan amilique

C5H12S (104.06596719999999)


   

Isopentanethiol

1-Mercapto-3-methylbutane

C5H12S (104.06596719999999)


   

UNII:8ZRO873BR6

1-Mercapto-2-methylbutane

C5H12S (104.06596719999999)


   

FEMA 3304

1,2-Dimethylpropyl hydrosulfide

C5H12S (104.06596719999999)


   

pentane-2-thiol

(±)-2-Pentanethiol

C5H12S (104.06596719999999)


   

Cyclooctatetraene

1,3,5,7-Cyclooctatetraene

C8H8 (104.0625968)


   
   
   

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

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

C5H12O2 (104.08372519999999)


   
   

1-(2-Hydroxyethyl)urea

1-(2-Hydroxyethyl)urea

C3H8N2O2 (104.0585748)


   

Formamidine acetate

Formamidine acetate

C3H8N2O2 (104.0585748)


   
   
   

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

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

C5H12O2 (104.08372519999999)


   
   
   

(Trimethylsilyl)methanol

(Trimethylsilyl)methanol

C4H12OSi (104.0657382)


   

Ethoxy(dimethyl)silane

Ethoxy(dimethyl)silane

C4H12OSi (104.0657382)


   

Trimethyl borate

Trimethyl borate-11B

C3H9BO3 (104.0644714)


   

2-AMINO-3-HYDROXYPROPANAMIDE

2-AMINO-3-HYDROXYPROPANAMIDE

C3H8N2O2 (104.0585748)


   
   

2,n-dihydroxy-propionamidine

2,n-dihydroxy-propionamidine

C3H8N2O2 (104.0585748)


   
   
   

CBZ-β-AMINO-D-ALANINE

CBZ-β-AMINO-D-ALANINE

C3H8N2O2 (104.0585748)


   
   
   
   

(S)-1,2-DIAMINOPROPANEDIHYDROCHLORIDE

(S)-1,2-DIAMINOPROPANEDIHYDROCHLORIDE

C5H12O2 (104.08372519999999)


   

Lithium (trimethylsilyl)acetylide

Lithium (trimethylsilyl)acetylide

C5H9LiSi (104.0633544)


   
   
   

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

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

C5H12O2 (104.08372519999999)


   

Benzocyclobutene

bicyclo[4.2.0]octa-1,3,5-triene

C8H8 (104.0625968)


A carbobicyclic compound that is benzene fused to a cyclobutane ring.

   

(3-OXOPIPERAZIN-2-YL)ACETIC ACID

(3-OXOPIPERAZIN-2-YL)ACETIC ACID

C4H12N2O (104.09495820000001)


   

N-HYDROXY-2-METHOXYACETIMIDAMIDE

N-HYDROXY-2-METHOXYACETIMIDAMIDE

C3H8N2O2 (104.0585748)


   

2-Methoxyacetohydrazide

2-Methoxyacetohydrazide

C3H8N2O2 (104.0585748)


   
   
   
   

(1-Fluoromethyl-Cyclopropyl)-Methanol

(1-Fluoromethyl-Cyclopropyl)-Methanol

C5H9FO (104.0637396)


   

1,2,3,4-Tetra(methylene)cyclobutane

1,2,3,4-Tetra(methylene)cyclobutane

C8H8 (104.0625968)


   
   

acetaldehyde ethyl methyl acetal

acetaldehyde ethyl methyl acetal

C5H12O2 (104.08372519999999)


   
   
   

Propanoic acid,3-hydroxy-, hydrazide

Propanoic acid,3-hydroxy-, hydrazide

C3H8N2O2 (104.0585748)


   
   
   
   
   
   
   

(2-aminoethyl)carbamic acid

(2-aminoethyl)carbamic acid

C3H8N2O2 (104.0585748)


   
   

2-Methoxy-2-methyl-1-propanol

2-Methoxy-2-methyl-1-propanol

C5H12O2 (104.08372519999999)


   
   

Trimethyl Methoxysilane

Trimethyl Methoxysilane

C4H12OSi (104.0657382)


   
   
   
   

Ethyl hydrazinecarboxylate

Ethyl hydrazinecarboxylate

C3H8N2O2 (104.0585748)


   
   
   
   
   

STYRENE-ALPHA,BETA-13C2

STYRENE-ALPHA,BETA-13C2

C8H8 (104.0625968)


   

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 (104.088768512)


   
   

(R)-2,3-DIAMINOPROPANOIC ACID

(R)-2,3-DIAMINOPROPANOIC ACID

C3H8N2O2 (104.0585748)


   

styrene-d8

styrene-d8

C8H8 (104.0625968)


   
   
   

1-methoxy-2-methyl-2-propanol

1-methoxy-2-methyl-2-propanol

C5H12O2 (104.08372519999999)


   
   

ethylene glycol ethyl methyl ether

ethylene glycol ethyl methyl ether

C5H12O2 (104.08372519999999)


   

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

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

C4H12N2O (104.09495820000001)


   

1-fluorohexane

1-fluorohexane

C6H13F (104.100123)


   

Choline C-11

Choline C-11

C5H14NO+ (104.10753340000001)


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

   
   
   
   
   
   
   

alpha-Hydrazinopropionic acid

alpha-Hydrazinopropionic acid

C3H8N2O2 (104.0585748)


   

3-Methylbutane-1,2-diol

3-Methylbutane-1,2-diol

C5H12O2 (104.08372519999999)


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

   

3,6-Dimethylidenecyclohexa-1,4-diene

3,6-Dimethylidenecyclohexa-1,4-diene

C8H8 (104.0625968)


   

o-Xylylene

o-Xylylene

C8H8 (104.0625968)


   

1H-borepin, 1-methyl-

1H-borepin, 1-methyl-

C7H9B (104.0797264)


   

Styrol

MALDI validation set polystyrene Mp 500-70000 certified according to DIN

C8H8 (104.0625968)


   

Ucar AC

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

C5H12O2 (104.08372519999999)


   

EP Solvent

Monopropyl ether of ethylene glycol

C5H12O2 (104.08372519999999)


   

WLN: Q5Q

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

C5H12O2 (104.08372519999999)


   

NPG Glycol

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

C5H12O2 (104.08372519999999)


   

694-87-1

InChI=1\C8H8\c1-2-4-8-6-5-7(8)3-1\h1-4H,5-6H

C8H8 (104.0625968)


   
   

N-methylputrescinium(2+)

N-methylputrescinium(2+)

C5H16N2+2 (104.1313416)


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beta-Alanine-methyl-ester

beta-Alanine-methyl-ester

C4H10NO2+ (104.07115)


   

(S)-2,3-Diaminopropanoate

(S)-2,3-Diaminopropanoate

C3H8N2O2 (104.0585748)


   

2-Amino-3-ammoniopropanoate

2-Amino-3-ammoniopropanoate

C3H8N2O2 (104.0585748)


   

(R)-2,3-diaminopropanoate

(R)-2,3-diaminopropanoate

C3H8N2O2 (104.0585748)


   
   

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

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

C5H14NO+ (104.10753340000001)


   
   
   

Cadaverine(2+)

Cadaverine(2+)

C5H16N2 (104.1313416)


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.

   
   
   
   
   

3-amino-L-alanine zwitterion

3-amino-L-alanine zwitterion

C3H8N2O2 (104.0585748)


The zwitterion resulting from the transfer of a proton from the carboxy group to the beta-amino group of 3-amino-L-alanine; major species at pH 7.3.

   

3-aminoalanine zwitterion

3-aminoalanine zwitterion

C3H8N2O2 (104.0585748)


An amino acid zwitterion of 3-aminoalanine where the 3-amino group is protonated.

   

3-amino-D-alanine zwitterion

3-amino-D-alanine zwitterion

C3H8N2O2 (104.0585748)


The zwitterion resulting from the transfer of a proton from the carboxy group to the beta-amino group of 3-amino-D-alanine. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).

   

3-amino-D-alanine

3-amino-D-alanine

C3H8N2O2 (104.0585748)


A 3-aminoalanine that has R configuration.

   

N-methylputrescinium(2+)

N-methylputrescinium(2+)

C5H16N2 (104.1313416)


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

   

3-Amino-L-alanine

3-Amino-L-alanine

C3H8N2O2 (104.0585748)


A 3-aminoalanine that has S configuration.

   

2-hydroxyputrescine

2-hydroxyputrescine

C4H12N2O (104.09495820000001)


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

   

Diaminopropionic acid

Diaminopropionic acid

C3H8N2O2 (104.0585748)


   
   

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

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

C5H12O2 (104.08372519999999)


   

n-(dihydroxycarbonimidoyl)-n-methylmethanamine

n-(dihydroxycarbonimidoyl)-n-methylmethanamine

C3H8N2O2 (104.0585748)