Exact Mass: 100.988

Exact Mass Matches: 100.988

Found 70 metabolites which its exact mass value is equals to given mass value 100.988, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Potassium nitrate (KNO3)

Potassium nitrate monohydrate

KNO3 (100.9515)


Preservative for cod roe, cured red meat and poultry products. Potassium nitrate (KNO3) is found in fishes, animal foods, and common sage. D053834 - Explosive Agents Same as: D02051

   

4-Oxobutanoate

4-Oxobutanoate

C4H5O3- (101.0239)


The conjugate base of 4-oxobutanoic acid; major species at pH 7.3. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

4,5-Dihydro-2-methylthiazole

2-Methyl-laquo deltaraquo 2-thiazoline

C4H7NS (101.0299)


4,5-Dihydro-2-methylthiazole is a constituent of various cooked foods

   

2-Amino-1,3,4-thiadiazole

2-Amino-1,3,4-thiadiazole monohydrochloride

C2H3N3S (101.0048)


   

2-Iminothiolane

Methyl 4-mercaptobutyrimidate hydrochloride

C4H7NS (101.0299)


D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D003432 - Cross-Linking Reagents D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D007096 - Imidoesters

   

2,4-Oxazolidinedione

1,3-oxazolidine-2,4-dione

C3H3NO3 (101.0113)


   

Dihydrothiazine

3,4-dihydro-2H-1,2-thiazine

C4H7NS (101.0299)


   

hydroxyoxazolone

4-hydroxy-2,3-dihydro-1,3-oxazol-2-one

C3H3NO3 (101.0113)


   

isothiazolone

1lambda4,2-thiazol-1-one

C3H3NOS (100.9935)


   

Oxazaphosphorine

2H-1,2,3-oxazaphosphinine

C3H4NOP (101.0031)


   

6H-Oxazaphosphinine

6H-1,2,3-oxazaphosphinine

C3H4NOP (101.0031)


   

Isopropyl isothiocyanate

Isopropyl isothiocyanic acid

C4H7NS (101.0299)


Isopropyl isothiocyanate is a member of the class of compounds known as isothiocyanates. Isothiocyanates are organic compounds containing the isothiocyanate group, an isocyanate analogue with the general formula RN=C=S. Isopropyl isothiocyanate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Isopropyl isothiocyanate is a mustard and pungent tasting compound found in brussel sprouts, chinese mustard, and horseradish, which makes isopropyl isothiocyanate a potential biomarker for the consumption of these food products.

   

4-methyl-3-thiazoline

4-methyl-2,5-dihydro-1,3-thiazole

C4H7NS (101.0299)


Flavouring compound [Flavornet]

   

(S)-methylmalonate-semialdehyde

(S)-Methylmalonic acid-semialdehyde

C4H5O3- (101.0239)


(s)-methylmalonate-semialdehyde is a member of the class of compounds known as 1,3-dicarbonyl compounds. 1,3-dicarbonyl compounds are carbonyl compounds with the generic formula O=C(R)C(H)C(R)=O, where R and R can be any group (s)-methylmalonate-semialdehyde is soluble (in water) and a weakly acidic compound (based on its pKa). (s)-methylmalonate-semialdehyde can be found in a number of food items such as oil-seed camellia, jostaberry, yellow pond-lily, and pasta, which makes (s)-methylmalonate-semialdehyde a potential biomarker for the consumption of these food products. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

acetoacetate

Acetoacetic acid, calcium salt

C4H5O3- (101.0239)


Acetoacetate, also known as acetoacetic acid or oxobutyrate, belongs to short-chain keto acids and derivatives class of compounds. Those are keto acids with an alkyl chain the contains less than 6 carbon atoms. Acetoacetate is soluble (in water) and a weakly acidic compound (based on its pKa). Acetoacetate can be found in a number of food items such as plains prickly pear, daikon radish, papaya, and common chokecherry, which makes acetoacetate a potential biomarker for the consumption of these food products. Acetoacetic acid (also diacetic acid) is the organic compound with the formula CH3COCH2COOH. It is the simplest beta-keto acid group, and like other members of this class, it is unstable. The methyl and ethyl esters, which are quite stable, are produced on a large scale industrially as precursors to dyes. Acetoacetic acid is a weak acid .

   

Potassium bicarbonate

Potassium bicarbonate

CH2KO3+ (100.9641)


   

but-2-enethioamide

but-2-enethioamide

C4H7NS (101.0299)


   

Propyl ester-Thiocyanic acid

Propyl ester-Thiocyanic acid

C4H7NS (101.0299)


   

Isopropyl isothiocyanate

Isopropyl isothiocyanate

C4H7NS (101.0299)


   

delta&Raquo

2-Methyl-4,5-dihydro-1,3-thiazole

C4H7NS (101.0299)


   

1H-1,2,3-TRIAZOLE-5-THIOL

1H-1,2,3-TRIAZOLE-5-THIOL

C2H3N3S (101.0048)


   

orthoboric acid, potassium salt

orthoboric acid, potassium salt

BH3KO3 (100.9812)


   
   

pyrrolidine-2-thione

pyrrolidine-2-thione

C4H7NS (101.0299)


   

isothiazol-3(2h)-on

isothiazol-3(2h)-on

C3H3NOS (100.9935)


   

(2H3)Phosphoric acid

(2H3)Phosphoric acid

D3O4P (100.9957)


   

1,2,5-Thiadiazol-3-amine(9CI)

1,2,5-Thiadiazol-3-amine(9CI)

C2H3N3S (101.0048)


   

Propyl thiocyanate

Propyl thiocyanate

C4H7NS (101.0299)


   

1,2,4-Thiadiazol-3-amine

1,2,4-Thiadiazol-3-amine

C2H3N3S (101.0048)


   

1,2,4-Thiadiazol-5-amine

1,2,4-Thiadiazol-5-amine

C2H3N3S (101.0048)


   

N,N-DIFORMYLFORMAMIDE

N,N-DIFORMYLFORMAMIDE

C3H3NO3 (101.0113)


   

3-Chloropyrrole

3-Chloropyrrole

C4H4ClN (101.0032)


   

potassium,oxido(oxo)alumane

potassium,oxido(oxo)alumane

AlH3KO2 (100.9586)


   

Thiazol-2-ol

2-Hydroxythiazole

C3H3NOS (100.9935)


   

2,5-Oxazolidinedione

2,5-Oxazolidinedione

C3H3NO3 (101.0113)


   

1,1-dichloroethane (2,2,2-d3)

1,1-dichloroethane (2,2,2-d3)

C2HCl2D3 (100.9878)


   

Ammonium chlorate

Ammonium chlorate

ClH4NO3 (100.988)


   

2-Amino-1,3,4-thiadiazole

2-Amino-1,3,4-thiadiazole

C2H3N3S (101.0048)


C471 - Enzyme Inhibitor > C2087 - Inosine Monophosphate Dehydrogenase Inhibitor D000970 - Antineoplastic Agents

   

Methyl isocyanatoformate

Methyl isocyanatoformate

C3H3NO3 (101.0113)


   

2-azidoacetic acid

2-azidoacetic acid

C2H3N3O2 (101.0225)


   

iflab-bb f1963-0009

iflab-bb f1963-0009

C3H3NOS (100.9935)


   

cyclopropanecarbothioamide

cyclopropanecarbothioamide

C4H7NS (101.0299)


   

PERCHLORIC ACID-D

PERCHLORIC ACID-D

ClDO4 (100.9626)


   

Acetyl isothiocyanate

Acetyl isothiocyanate

C3H3NOS (100.9935)


   

manganese(ii) formate

manganese(ii) formate

CH2MnO2 (100.9435)


   

1,2,3-Thiadiazol-5-amine

1,2,3-Thiadiazol-5-amine

C2H3N3S (101.0048)


   

propyl isothiocyanate

propyl isothiocyanate

C4H7NS (101.0299)


   

1H-1,2,4-Triazole-3-thiol

1H-1,2,4-Triazole-3-thiol

C2H3N3S (101.0048)


   

Potassium nitrate-15N

Potassium nitrate-15N

KNO3 (100.9515)


   

2,2,2-TRIFLUOROETHAN(OL-D)

2,2,2-TRIFLUOROETHAN(OL-D)

C2H2DF3O (101.0199)


   

potassium,bis(oxidanidyl)-oxidanylideneazanium

potassium,bis(oxidanidyl)-oxidanylideneazanium

KNO3 (100.9515)


   

tetradeuterioazanium,bromide

tetradeuterioazanium,bromide

BrD4N (100.9778)


   

1H-1,2,4-Triazole-5-thiol

1H-1,2,4-Triazole-5-thiol

C2H3N3S (101.0048)


   

2-Thiocyanatopropane

2-Thiocyanatopropane

C4H7NS (101.0299)


   

2-Chloropyrrole

2-Chloropyrrole

C4H4ClN (101.0032)


   

1,1,1-Trimethyldisilane

1,1,1-Trimethyldisilane

C3H9Si2 (101.0243)


   

POTASSIUM NITRATE

POTASSIUM NITRATE

KNO3 (100.9515)


D053834 - Explosive Agents

   

2-Oxobutanoate

2-Oxobutanoate

C4H5O3- (101.0239)


A 2-oxo monocarboxylic acid anion that is the conjugate base of 2-oxobutanoic acid, obtained by deprotonation of the carboxy group. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

(R)-2-methyl-3-oxopropanoate

(R)-2-methyl-3-oxopropanoate

C4H5O3- (101.0239)


   

(S)-2-methyl-3-oxopropanoate

(S)-2-methyl-3-oxopropanoate

C4H5O3- (101.0239)


   

Ketopyruvate

Ketopyruvate

C3HO4- (100.9875)


   

4-methyl-3-thiazoline

4-methyl-3-thiazoline

C4H7NS (101.0299)


   

Acetoacetate

Acetoacetate

C4H5O3- (101.0239)


A 3-oxo monocarboxylic acid anion that is the conjugate base of acetoacetic acid, arising from deprotonation of the carboxy group.

   

2-Methyl-3-oxopropanoate

2-Methyl-3-oxopropanoate

C4H5O3- (101.0239)


The conjugate base of 2-methyl-3-oxopropanoic acid; major species at pH 7.3. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

(r)-Methylmalonate semialdehyde

(r)-Methylmalonate semialdehyde

C4H5O3 (101.0239)


2-methyl-3-oxopropanoate with R configuration at the chiral centre; major microspecies at pH 7.3.

   

(S)-Methylmalonate semialdehyde

(S)-Methylmalonate semialdehyde

C4H5O3 (101.0239)


2-Methyl-3-oxopropanoate with S configuration at the chiral centre.

   

2-Methyl-2-thiazoline

2-Thiazoline, 2-methyl-

C4H7NS (101.0299)


   

trans-but-2-enoyl-[acp]

trans-but-2-enoyl-[acp]

C4H5OS (101.0061)


   

(2e)-but-2-enimidothioic acid

(2e)-but-2-enimidothioic acid

C4H7NS (101.0299)


   

but-2-enimidothioic acid

but-2-enimidothioic acid

C4H7NS (101.0299)