Exact Mass: 99.063

Exact Mass Matches: 99.063

Found 80 metabolites which its exact mass value is equals to given mass value 99.063, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Methylpyrrolidone

1-METHYL-2-PYRROLIDINONE

C5H9NO (99.0684)


D009676 - Noxae > D013723 - Teratogens CONFIDENCE standard compound; INTERNAL_ID 2778 CONFIDENCE standard compound; INTERNAL_ID 8697 KEIO_ID M024

   

(2R)-2-Hydroxy-2-methylbutanenitrile

(2R)-2-Hydroxy-2-methylbutanenitrile

C5H9NO (99.0684)


(2r)-2-hydroxy-2-methylbutanenitrile, also known as (R)-butan-2-one cyanohydrin, is a member of the class of compounds known as tertiary alcohols. Tertiary alcohols are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ) (2r)-2-hydroxy-2-methylbutanenitrile is soluble (in water) and a very weakly acidic compound (based on its pKa). (2r)-2-hydroxy-2-methylbutanenitrile can be found in a number of food items such as poppy, elderberry, banana, and cinnamon, which makes (2r)-2-hydroxy-2-methylbutanenitrile a potential biomarker for the consumption of these food products. This compound belongs to the family of Tertiary Alcohols. These are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R ≠ H ).

   

2-Piperidinone

5-amino-Lactam-pentanoic acid

C5H9NO (99.0684)


2-Piperidinone is a derivative of piperidine which is an organic compound. Piperidine is a colorless fuming liquid with an odor described as ammoniacal, pepper-like, the name comes from the genus name Piper, which is the Latin word for pepper. Piperidine is a widely used building block and chemical reagent in the synthesis of organic compounds, including pharmaceuticals.The piperidine structural motif is present in numerous natural alkaloids. These include piperine, which gives black pepper the hot taste. This gave the compound its name. [HMDB] 2-Piperidinone is a derivative of piperidine which is an organic compound. Piperidine is a colorless fuming liquid with an odor described as ammoniacal, pepper-like, the name comes from the genus name Piper, which is the Latin word for pepper. Piperidine is a widely used building block and chemical reagent in the synthesis of organic compounds, including pharmaceuticals.The piperidine structural motif is present in numerous natural alkaloids. These include piperine, which gives black pepper the hot taste. This gave the compound its name. 2-Piperidone is an endogenous metabolite.

   

1-Pyrrolidinecarboxaldehyde

1-Pyrrolidinecarboxaldehyde (8ci)(9ci)

C5H9NO (99.0684)


1-Pyrrolidinecarboxaldehyde is a maillard produc Maillard product

   

2,5-Dihydro-2,4-dimethyloxazole

2,4-dimethyl-2,5-dihydro-1,3-oxazole

C5H9NO (99.0684)


xi-2,5-Dihydro-2,4-dimethyloxazole is found in animal foods. Aroma constituent of cooked beef, fried bacon, fried chicken and roasted peanuts. It is used as a food additive

   

2-Ethyl-2-oxazoline

2-ethyl-4,5-dihydro-1,3-oxazole

C5H9NO (99.0684)


   

4,4-Dimethyl-2-oxazoline

4,4-dimethyl-4,5-dihydro-1,3-oxazole

C5H9NO (99.0684)


   

Guanazole

1,2,4-triazolidine-3,5-diimine

C2H5N5 (99.0545)


C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite D000970 - Antineoplastic Agents

   

N,N-Dimethylacrylamide

N,N-dimethylprop-2-enamide

C5H9NO (99.0684)


   

PYRROLIDINE-2-CARBALDEHYDE

PYRROLIDINE-2-CARBALDEHYDE

C5H9NO (99.0684)


   

(2R)-2-Hydroxy-2-methylbutanenitrile

(2R)-2-Hydroxy-2-methylbutanenitrile

C5H9NO (99.0684)


   

2-Ethyl-2-oxazoline

2-Ethyl-2-oxazoline

C5H9NO (99.0684)


   

piperidin-4-one

piperidin-4-one

C5H9NO (99.0684)


   

4-iminopentan-2-one

4-iminopentan-2-one

C5H9NO (99.0684)


   

Senecioic acid amide

Senecioic acid amide

C5H9NO (99.0684)


   

Nitrile-(()-2-Hydroxy-3-methylbutanoic acid

Nitrile-(()-2-Hydroxy-3-methylbutanoic acid

C5H9NO (99.0684)


   

2-methylbut-2-enamide

2-methylbut-2-enamide

C5H9NO (99.0684)


   

Pent-4-enamide

Pent-4-enamide

C5H9NO (99.0684)


   

2-Piperidone

δ-Valerolactam

C5H9NO (99.0684)


MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; XUWHAWMETYGRKB-UHFFFAOYSA-N_STSL_0198_2-Piperidone_0031fmol_180831_S2_L02M02_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. 2-Piperidone is an endogenous metabolite.

   

Prolinal

1-Pyrrolidinecarboxaldehyde (8ci)(9ci)

C5H9NO (99.0684)


   

2,4-Dimethyl-3-oxazoline

2,4-dimethyl-2,5-dihydro-1,3-oxazole

C5H9NO (99.0684)


   

N-Ethylacrylamide

N-Ethylacrylamide

C5H9NO (99.0684)


   

3-Methyl-2-pyrrolidinone

3-Methyl-2-pyrrolidinone

C5H9NO (99.0684)


   

2-Oxa-6-azaspiro[3.3]heptane

2-Oxa-6-azaspiro[3.3]heptane

C5H9NO (99.0684)


   

6-Oxa-1-azaspiro[3.3]heptane

6-Oxa-1-azaspiro[3.3]heptane

C5H9NO (99.0684)


   

4-methylpyrrolidin-2-one

4-methylpyrrolidin-2-one

C5H9NO (99.0684)


   

5-METHOXY-3,4-DIHYDRO-2H-PYRROLE

5-METHOXY-3,4-DIHYDRO-2H-PYRROLE

C5H9NO (99.0684)


   

3-(Dimethylamino)-2-propenal

3-(Dimethylamino)-2-propenal

C5H9NO (99.0684)


   

5-Methyl-2-pyrrolidone

2-Pyrrolidinone,5-methyl-

C5H9NO (99.0684)


   

3-(dimethylamino)acrolein

3-(dimethylamino)acrolein

C5H9NO (99.0684)


   

3-Ethoxypropanenitrile

3-Ethoxypropanenitrile

C5H9NO (99.0684)


   

3-Hydroxy-2,2-dimethylpropanenitrile

3-Hydroxy-2,2-dimethylpropanenitrile

C5H9NO (99.0684)


   

1-(azetidin-1-yl)ethanone

1-(azetidin-1-yl)ethanone

C5H9NO (99.0684)


   

3-oxabicyclo[3.1.0]hexan-6-amine

3-oxabicyclo[3.1.0]hexan-6-amine

C5H9NO (99.0684)


   

n,2-dimethylacrylamide

n,2-dimethylacrylamide

C5H9NO (99.0684)


   

Isobutyl isocyanate

Isobutyl isocyanate

C5H9NO (99.0684)


   

2-CHLORO-5-ETHOXYMETHYL-PYRIDINE

2-CHLORO-5-ETHOXYMETHYL-PYRIDINE

C5H9NO (99.0684)


   

2-amino-cyclopentanone

2-amino-cyclopentanone

C5H9NO (99.0684)


   

1-Methyl-3-pyrrolidinone

1-Methyl-3-pyrrolidinone

C5H9NO (99.0684)


   

2-hydroxy-2-methylbutanenitrile

2-hydroxy-2-methylbutanenitrile

C5H9NO (99.0684)


   

PYRROLIDINE-2-CARBALDEHYDE

(4-CHLORO-PYRIMIDIN-2-YL)-ISOPROPYL-AMINE

C5H9NO (99.0684)


   

2-Isocyanatobutane

2-Isocyanatobutane

C5H9NO (99.0684)


   

3-Hydroxy-3-methylbutanenitrile

3-Hydroxy-3-methylbutanenitrile

C5H9NO (99.0684)


   

4-Piperidone

4-Piperidone

C5H9NO (99.0684)


   

3-Piperidinone

3-Piperidinone

C5H9NO (99.0684)


   

2H-tetrazole-5-methanamine

2H-tetrazole-5-methanamine

C2H5N5 (99.0545)


   

cyclopropylethan-1-one oxime

cyclopropylethan-1-one oxime

C5H9NO (99.0684)


   

N-Methyl-N-vinylacetamide

N-Methyl-N-vinylacetamide

C5H9NO (99.0684)


   

1-Oxa-6-azaspiro[3.3]heptane

1-Oxa-6-azaspiro[3.3]heptane

C5H9NO (99.0684)


   

6-Oxa-3-azabicyclo[3.1.1]heptane

6-Oxa-3-azabicyclo[3.1.1]heptane

C5H9NO (99.0684)


   

2-oxa-5-azabicyclo[2.2.1]heptane

2-oxa-5-azabicyclo[2.2.1]heptane

C5H9NO (99.0684)


   

cyclopentanone oxime

cyclopentanone oxime

C5H9NO (99.0684)


   

1-Methyl-1H-tetrazol-5-amine

1-Methyl-1H-tetrazol-5-amine

C2H5N5 (99.0545)


   

cyclobutanecarboxamide

cyclobutanecarboxamide

C5H9NO (99.0684)


   

(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptane

(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptane

C5H9NO (99.0684)


   

4H-1,2,4-triazole-3,4-diamine

4H-1,2,4-triazole-3,4-diamine

C2H5N5 (99.0545)


   

5-Methylamino-1H-tetrazole

5-Methylamino-1H-tetrazole

C2H5N5 (99.0545)


   

4-methoxybutanenitrile

4-methoxybutanenitrile

C5H9NO (99.0684)


   

Butyl isocyanate

1-Isocyanatobutane

C5H9NO (99.0684)


   

tert-Butylisocyanate

tert-Butylisocyanate

C5H9NO (99.0684)


   

Fluoral-P

(E)-4-aminopent-3-en-2-one

C5H9NO (99.0684)


   

2-Methyl-2H-tetrazol-5-amine

2-Methyl-2H-tetrazol-5-amine

C2H5N5 (99.0545)


   

2-Hydroxy-2-methylbutyronitrile, (S)-

2-Hydroxy-2-methylbutyronitrile, (S)-

C5H9NO (99.0684)


   

(R)-2-hydroxy-3-methylbutanenitrile

(R)-2-hydroxy-3-methylbutanenitrile

C5H9NO (99.0684)


   

(S)-2-Hydroxypentanenitrile

(S)-2-Hydroxypentanenitrile

C5H9NO (99.0684)


   

1-Methylsilolane

1-Methylsilolane

C5H11Si (99.063)


   

(S)-3-Methyl-4-hydroxybutanenitrile

(S)-3-Methyl-4-hydroxybutanenitrile

C5H9NO (99.0684)


   

4-Ethylazetidine-2-one

4-Ethylazetidine-2-one

C5H9NO (99.0684)


   

alpha-Valerolactam

alpha-Valerolactam

C5H9NO (99.0684)


   

(2S)-2-Hydroxy-3-methylbutyronitrile

(2S)-2-Hydroxy-3-methylbutyronitrile

C5H9NO (99.0684)


   

1-Methyl-silacyclopentane(2,2,5,5-D4)

1-Methyl-silacyclopentane(2,2,5,5-D4)

C5H11Si (99.063)


   

CID 136731337

CID 136731337

C5H11Si (99.063)


   

Guanazole

1H-1,2,4-Triazole-3,5-diamine

C2H5N5 (99.0545)


C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite D000970 - Antineoplastic Agents

   

1-formylpyrrolidine

1-formylpyrrolidine

C5H9NO (99.0684)


   

N-Methylpyrrolidin-2-one

N-Methylpyrrolidin-2-one

C5H9NO (99.0684)


   

Hydroxymethylbutanenitrile

Hydroxymethylbutanenitrile

C5H9NO (99.0684)


   

pent-4-enimidic acid

pent-4-enimidic acid

C5H9NO (99.0684)


   

(2z)-2-methylbut-2-enimidic acid

(2z)-2-methylbut-2-enimidic acid

C5H9NO (99.0684)


   

3-methylbut-2-enimidic acid

3-methylbut-2-enimidic acid

C5H9NO (99.0684)


   

2-methylbut-2-enimidic acid

2-methylbut-2-enimidic acid

C5H9NO (99.0684)