Exact Mass: 99.0684104
Exact Mass Matches: 99.0684104
Found 196 metabolites which its exact mass value is equals to given mass value 99.0684104,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Methylpyrrolidone
D009676 - Noxae > D013723 - Teratogens CONFIDENCE standard compound; INTERNAL_ID 2778 CONFIDENCE standard compound; INTERNAL_ID 8697 KEIO_ID M024
Cyclohexylamine
Cyclohexylamine is a food contaminant arising from its use as a boiler water additive Cyclohexylamine, also called hexahydroaniline, 1-aminocyclohexane, or aminohexahydrobenzene, is an organic chemical, an amine derived from cyclohexane. It is a clear to yellowish liquid with fishy odor, with melting point of 17.7 °C and boiling point 134.5 °C, miscible with water. Like other amines, it is of mildly alkaline nature, compared to strong bases such as NaOH, but it is a stronger base than its aromatic sister compound aniline, which differs only in that its ring is aromatic. It is flammable, with flash point at 28.6 °C. Explosive mixtures with air can be formed above 26 °C. It is toxic by both ingestion and inhalation; the inhalation itself may be fatal. It readily absorbs through skin, which it irritates. It is corrosive. Cyclohexylamine is listed as an extremely hazardous substance as defined by Section 302 of the U.S. Emergency Planning and Community Right-to-Know Act Food contaminant arising from its use as a boiler water additive CONFIDENCE standard compound; INTERNAL_ID 2441 CONFIDENCE standard compound; INTERNAL_ID 8266 KEIO_ID C114
Succinimide
Succinimide is an organic compound with the formula (CH2)2(CO)2NH. This white solid is used in a variety of organic syntheses, as well as in some industrial silver plating processes. The compound is classified as a cyclic imide. It may be prepared by thermal decomposition of ammonium succinate.[4] Succinimide, also known as butanimide, belongs to the class of organic compounds known as pyrrolidine-2-ones. These are pyrrolidines that bear a C=O group at position 2 of the pyrrolidine ring. Succinimide has been identified in urine (PMID: 22409530). Succinimides refers to compounds that contain the succinimide group. These compounds have some notable uses. Several succinimides are used as anticonvulsant drugs, including ethosuximide, phensuximide, and methsuximide.[5] Succinimides are also used to form covalent bonds between proteins or peptides and plastics, which is useful in a variety of assay techniques. Succinimide. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=123-56-8 (retrieved 2024-06-29) (CAS RN: 123-56-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
(2R)-2-Hydroxy-2-methylbutanenitrile
(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
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.
2-Methylpiperidine
2-Methylpiperidine is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
(R)-Dihydromaleimide
(R)-Dihydromaleimide is found in pulses. (R)-Dihydromaleimide is an alkaloid from the shoots of dwarf pea (Pisum sativum Alkaloid from the shoots of dwarf pea (Pisum sativum). (R)-Dihydromaleimide is found in pulses and common pea.
1-Pyrrolidinecarboxaldehyde
1-Pyrrolidinecarboxaldehyde is a maillard produc Maillard product
2,5-Dihydro-2,4-dimethyloxazole
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
Guanazole
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite D000970 - Antineoplastic Agents
2-Piperidone
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.
4-Methyl-3-penten-1-amine
An alkylamine that is pent-3-en-1-amine substituted by a methyl group ay position 4.
2-Ethylacrylate
A monocarboxylic acid anion that is the conjugate base of 2-ethylacrylic acid.
CYCLOHEXYLAMINE
A primary aliphatic amine consisting of cyclohexane carrying an amino substituent.
SUCCINIMIDE
G - Genito urinary system and sex hormones > G04 - Urologicals > G04B - Urologicals
Guanazole
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite D000970 - Antineoplastic Agents