Exact Mass: 99.014269

Exact Mass Matches: 99.014269

Found 99 metabolites which its exact mass value is equals to given mass value 99.014269, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

   

Allyl isothiocyanate

Allyl isothiocyanate non-perfume grade

C4H5NS (99.014269)


Allyl isothiocyanate is a volatile organic compound. Allyl isothiocyanate (AITC) is a constituent of mustard, horseradish and wasabi and certain vegetables found in the human diet, mostly in cruciferous vegetables. AITC is a colorless to pale yellow liquid that is slightly soluble in water, but soluble in most organic solvents. AITC possesses numerous biochemical and physiological activities. It is cytotoxic and tumorigenic at high doses and is also a modulator of enzymes involved in metabolism of xenobiotics, including carcinogens. It is plausible that the wide consumption of dietary AITC may have profound effects on human health. oxidative DNA damage may play important roles in carcinogenic processes induced by AITC. Allergic contact dermatitis from AICT is well known but infrequently reported. AITC is occasionally found as a volatile component of normal human biofluids. (PMID:5556886, 8222057, 8000299, 10754276, 15373848). Chief constituent of natural mustard oiland is also found in cooked cabbage, horseradish, etc. Flavouring ingredient. Potential nutriceutical D000074385 - Food Ingredients > D005503 - Food Additives > D005520 - Food Preservatives

   

Succinimide

Dihydro-3-pyrroline-2,5-dione

C4H5NO2 (99.032027)


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).

   

4-Methylthiazole

4-Methyl-5H-1,3-thiazole

C4H5NS (99.014269)


4-Methylthiazole, also known as fema 3716, belongs to the class of organic compounds known as thiazoles. These are heterocyclic compounds containing a five-member aromatic ring made up of one sulfur atom, one nitrogen, and three carbon atoms. 4-Methylthiazole is a green, nutty, and roasted meat tasting compound. 4-methylthiazole has been detected, but not quantified, in several different foods, such as cereals and cereal products, coffee and coffee products, crustaceans, green vegetables, and nuts. This could make 4-methylthiazole a potential biomarker for the consumption of these foods. 4-Methylthiazole has been linked to the inborn metabolic disorders including celiac disease. A 1,3-thiazole substituted by a methyl group at position 4. 4-Methylthiazole is a flavouring ingredient. It is found in asparagus, cooked beef, cooked pork, pork liver, coffee, roast barley, roast peanut and cooked shrimp.

   

(R)-Dihydromaleimide

(R)-Dihydromaleimide

C4H5NO2 (99.032027)


(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.

   

3-Thiocyanato-1-propene

(Prop-2-en-1-ylsulphanyl)carbonitrile

C4H5NS (99.014269)


3-Thiocyanato-1-propene is found in brassicas. 3-Thiocyanato-1-propene is present in seeds of Brassica juncea

   

Thiiraneacetonitrile

3,4-Epithiobutanenitrile, (35S(+-))-isomer

C4H5NS (99.014269)


Thiiraneacetonitrile is found in brassicas. Thiiraneacetonitrile is a hydrolysis produced from seeds of Brassica campestris. Hydrolysis production from seeds of Brassica campestris. Thiiraneacetonitrile is found in brassicas.

   

5-Methylthiazole

5-Methyl-1,3-thiazole

C4H5NS (99.014269)


5-Methylthiazole is found in tea. 5-Methylthiazole is a food flavouring ingredient. Food flavouring ingredient. 5-Methylthiazole is found in tea.

   

Isothiocyanatocyclopropane

Cyclopropyl isothiocyanate

C4H5NS (99.014269)


Isothiocyanatocyclopropane belongs to the class of organic compounds known as isothiocyanates. These are organic compounds containing the isothiocyanate group, an isocyanate analogue with the general formula RN=C=S.

   

1H-Pyrrole-2,5-diol

1H-Pyrrole-2,5-diol

C4H5NO2 (99.032027)


   

2-Amino-1,5-dihydro-4H-imidazol-4-one

2-amino-4,5-dihydro-1H-imidazol-4-one

C3H5N3O (99.04326000000002)


   

2-Methylthiazole

2-methyl-1,3-thiazole

C4H5NS (99.014269)


   

3-Cyanopropanoic acid

3-Cyanopropanoic acid

C4H5NO2 (99.032027)


   

Guanazole

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

C2H5N5 (99.05449300000001)


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

   

Thiazine

2H-1,2-thiazine

C4H5NS (99.014269)


   

triazolinedione

4,5-dihydro-1H-1,2,3-triazole-4,5-dione

C2HN3O2 (99.0068766)


   

Antibiotic FR 900130

(S)-2-Amino-3-butynoic acid

C4H5NO2 (99.032027)


   

Azirinomycin

Azirinomycin

C4H5NO2 (99.032027)


   

2-Amino-3,5-dihydro-4H-imidazol-4-one

2-Amino-3,5-dihydro-4H-imidazol-4-one

C3H5N3O (99.04326000000002)


   

ALLYL ISOTHIOCYANATE

ALLYL ISOTHIOCYANATE

C4H5NS (99.014269)


   

Allylrhodanid

(prop-2-en-1-ylsulfanyl)carbonitrile

C4H5NS (99.014269)


   

(R)-Dihydromaleimide

5-hydroxy-2,5-dihydro-1H-pyrrol-2-one

C4H5NO2 (99.032027)


   

FEMA 3716

4-Methyl-5H-1,3-thiazole

C4H5NS (99.014269)


   

5-Methylthiazole

5-Methyl-1,3-thiazole

C4H5NS (99.014269)


   

Thiiraneacetonitrile

2-(thiiran-2-yl)acetonitrile

C4H5NS (99.014269)


   

Ethyl cyanoformate

Ethyl cyanoformate

C4H5NO2 (99.032027)


   

Methyl isocyanoacetate

Methyl isocyanoacetate

C4H5NO2 (99.032027)


   

5-methyl-1,3,4-oxadiazol-2-ylamine

5-methyl-1,3,4-oxadiazol-2-ylamine

C3H5N3O (99.04326000000002)


   

2,4-Pyrrolidinedione

2,4-Pyrrolidinedione

C4H5NO2 (99.032027)


   

1,2,4-Oxadiazole-3-methanamine

1,2,4-Oxadiazole-3-methanamine

C3H5N3O (99.04326000000002)


   

2-Fluoroethanamine hydrochloride

2-Fluoroethanamine hydrochloride

C2H7ClFN (99.0251024)


   

Oxazole-5-methanol

Oxazole-5-methanol

C4H5NO2 (99.032027)


   
   
   

pyrrolidine-2,5-dione

pyrrolidine-2,5-dione

C4H5NO2 (99.032027)


   

1-METHYL-1H-1,2,3-TRIAZOLE 3-OXIDE

1-METHYL-1H-1,2,3-TRIAZOLE 3-OXIDE

C3H5N3O (99.04326000000002)


   

3-Isoxazolemethanol

3-Isoxazolemethanol

C4H5NO2 (99.032027)


   

1-(1,2,4-Oxadiazol-3-yl)methanamine

1-(1,2,4-Oxadiazol-3-yl)methanamine

C3H5N3O (99.04326000000002)


   

2-methylcyclopropanecarboxylic acid

2-methylcyclopropanecarboxylic acid

C5H7O2 (99.0446022)


   

Propanoic acid,2-cyano-

Propanoic acid,2-cyano-

C4H5NO2 (99.032027)


   
   

trimethylsilylformonitrile

trimethylsilylformonitrile

C4H9NSi (99.0504234)


   
   

3-Thiophenamine

3-Thiophenamine

C4H5NS (99.014269)


   

Trimethylsilyl cyanide

Trimethylsilyl cyanide

C4H9NSi (99.0504234)


   

2-(2H3)Furancarbaldehyde

2-(2H3)Furancarbaldehyde

C5HD3O2 (99.039959934)


   

(1,3,4-OXADIAZOL-2-YL)METHANAMINE

(1,3,4-OXADIAZOL-2-YL)METHANAMINE

C3H5N3O (99.04326000000002)


   

1,3-Oxazol-4-ylmethanol

1,3-Oxazol-4-ylmethanol

C4H5NO2 (99.032027)


   

(1H-1,2,4-triazol-3-yl)Methanol

(1H-1,2,4-triazol-3-yl)Methanol

C3H5N3O (99.04326000000002)


   

methyl N-cyanocarbamimidate

methyl N-cyanocarbamimidate

C3H5N3O (99.04326000000002)


   

Tetramic acid

Tetramic acid

C4H5NO2 (99.032027)


   
   

1,3-Oxazol-2-ylmethanol

1,3-Oxazol-2-ylmethanol

C4H5NO2 (99.032027)


   

trifluoronitrosomethane

trifluoronitrosomethane

CF3NO (98.9931986)


   

1-Hydroxymethyl-1,2,4-triazole

1-Hydroxymethyl-1,2,4-triazole

C3H5N3O (99.04326000000002)


   

4-HYDROXYMETHYL-ISOXAZOLE

4-HYDROXYMETHYL-ISOXAZOLE

C4H5NO2 (99.032027)


   

3-METHYLISOTHIAZOLE

3-METHYLISOTHIAZOLE

C4H5NS (99.014269)


   

Hydrogen fluoride-pyridine complex

Hydrogen fluoride-pyridine complex

C5H6FN (99.04842479999999)


   

2H-tetrazole-5-methanamine

2H-tetrazole-5-methanamine

C2H5N5 (99.05449300000001)


   
   

1H-1,2,3-Triazole-5-methanol

1H-1,2,3-Triazole-5-methanol

C3H5N3O (99.04326000000002)


   

4-Methyl-1,2,5-oxadiazol-3-amine

4-Methyl-1,2,5-oxadiazol-3-amine

C3H5N3O (99.04326000000002)


   

4-Methylisothiazole

4-Methylisothiazole

C4H5NS (99.014269)


   

Methyl cyanoacetate

Methyl cyanoacetate

C4H5NO2 (99.032027)


   

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

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

C2H5N5 (99.05449300000001)


   
   
   

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

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

C2H5N5 (99.05449300000001)


   

1,2-oxazol-5-ylmethanol

1,2-oxazol-5-ylmethanol

C4H5NO2 (99.032027)


   

5-Methylamino-1H-tetrazole

5-Methylamino-1H-tetrazole

C2H5N5 (99.05449300000001)


   

Ammonium bisulfite

Ammonium bisulfite

H5NO3S (98.999014)


   

5-Methyl-1,2,4-oxadiazol-3-amine

5-Methyl-1,2,4-oxadiazol-3-amine

C3H5N3O (99.04326000000002)


   
   

5(4H)-Oxazolone,2-methyl-

5(4H)-Oxazolone,2-methyl-

C4H5NO2 (99.032027)


   

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

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

C2H5N5 (99.05449300000001)


   

3-AMINOFURAN-2(5H)-ONE

3-AMINOFURAN-2(5H)-ONE

C4H5NO2 (99.032027)


   

Acetylacetonate

Acetylacetonate

C5H7O2- (99.0446022)


   

Pent-4-enoate

Pent-4-enoate

C5H7O2- (99.0446022)


A pentenoate having the double bond at the 4-position.

   

1-Methylsilolane

1-Methylsilolane

C5H11Si (99.0629986)


   

L-2-amino-3-butynoic acid

L-2-amino-3-butynoic acid

C4H5NO2 (99.032027)


   

Redskin

Allyl isothiocyanate, stabilized [UN1545] [Poison]

C4H5NS (99.014269)


D000074385 - Food Ingredients > D005503 - Food Additives > D005520 - Food Preservatives

   
   

(e)-2-Methylbut-2-enoate

(e)-2-Methylbut-2-enoate

C5H7O2- (99.0446022)


   
   

Amino(cyano)acetate

Amino(cyano)acetate

C3H3N2O2- (99.0194518)


   

2-Ethylacrylate

2-Ethylacrylate

C5H7O2- (99.0446022)


A monocarboxylic acid anion that is the conjugate base of 2-ethylacrylic acid.

   

4-hydroxy-1,3-dihydro-2H-pyrrol-2-one

4-hydroxy-1,3-dihydro-2H-pyrrol-2-one

C4H5NO2 (99.032027)


   

3-Isocyanopropanoic acid

3-Isocyanopropanoic acid

C4H5NO2 (99.032027)


   

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

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

C5H11Si (99.0629986)


   

CID 136731337

CID 136731337

C5H11Si (99.0629986)


   

Mustardseed Oil

ALLYL ISOTHIOCYANATE

C4H5NS (99.014269)


An isothiocyanate with the formula CH2=CHCH2N=C=S. A colorless oil with boiling point 152degreeC, it is responsible for the pungent taste of mustard, horseradish, and wasabi. D000074385 - Food Ingredients > D005503 - Food Additives > D005520 - Food Preservatives

   

SUCCINIMIDE

SUCCINIMIDE

C4H5NO2 (99.032027)


G - Genito urinary system and sex hormones > G04 - Urologicals > G04B - Urologicals

   

4-METHYLTHIAZOLE

4-METHYLTHIAZOLE

C4H5NS (99.014269)


   

Guanazole

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

C2H5N5 (99.05449300000001)


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

   

Allyl thiocyanate

Allyl thiocyanate

C4H5NS (99.014269)


   

Cyclopropyl isothiocyanate

Cyclopropyl isothiocyanate

C4H5NS (99.014269)


   

Prop-2-enylthiocyanate

Prop-2-enylthiocyanate

C4H5NS (99.014269)


   

2-(Thiiran-2-yl)acetonitrile

2-(Thiiran-2-yl)acetonitrile

C4H5NS (99.014269)


   

Methylthiazole

Methylthiazole

C4H5NS (99.014269)