Exact Mass: 149.0219

Exact Mass Matches: 149.0219

Found 91 metabolites which its exact mass value is equals to given mass value 149.0219, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Benzyl isothiocyanate

4-12-00-02276 (Beilstein Handbook Reference)

C8H7NS (149.0299)


Benzyl isothiocyanate, also known as alpha-isothiocyanatotoluene or isothiocyanic acid, benzyl ester, belongs to benzene and substituted derivatives class of compounds. Those are aromatic compounds containing one monocyclic ring system consisting of benzene. Benzyl isothiocyanate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Benzyl isothiocyanate is a mild, dusty, and horseradish tasting compound and can be found in a number of food items such as cabbage, garden onion, garden cress, and papaya, which makes benzyl isothiocyanate a potential biomarker for the consumption of these food products. Benzyl isothiocyanate (BITC) is an isothiocyanate found in plants of the mustard family . Benzyl isothiocyanate is an isothiocyanate and a member of benzenes. It has a role as an antibacterial drug. Benzyl isothiocyanate is a natural product found in Erucaria microcarpa, Simicratea welwitschii, and other organisms with data available. See also: Lepidium meyenii root (part of). Benzyl isothiocyanate is found in brassicas. Benzyl isothiocyanate is isolated from Tropaeolum majus (garden nasturtium) and Lepidium sativum (garden cress), also in other plants especially in the Cruciferae. Potential nutriceutical. Benzyl isothiocyanate is a member of natural isothiocyanates with antimicrobial activity[1][2]. Benzyl isothiocyanate potent inhibits cell mobility, migration and invasion nature and matrix metalloproteinase-2 (MMP-2) activity of murine melanoma cells[2]. Benzyl isothiocyanate is a member of natural isothiocyanates with antimicrobial activity[1][2]. Benzyl isothiocyanate potent inhibits cell mobility, migration and invasion nature and matrix metalloproteinase-2 (MMP-2) activity of murine melanoma cells[2].

   

Benzyl thiocyanate

Thiocyanic acid, phenylmethyl ester

C8H7NS (149.0299)


Benzyl thiocyanate is found in brassicas. Benzyl thiocyanate is isolated from Lepidium sativum (garden cress) as a benzyl glucosinolate (see Benzyl glucosinolate LBB34-N) degradation produce Isolated from Lepidium sativum (garden cress) as a benzyl glucosinolate (see Benzyl glucosinolate LBB34-N) degradation production Benzyl thiocyanate is found in garden cress and brassicas.

   

L-2-Amino-4-chloropent-4-enoate

(2S)-2-amino-4-chloropent-4-enoic acid

C5H8ClNO2 (149.0244)


   

2-Methylbenzothiazole

2-Methyl-1,3-benzothiazole

C8H7NS (149.0299)


Known as an aroma constituent of tea leaves. 2-Methylbenzothiazole is found in tea. 2-Methylbenzothiazole is found in tea. Known as an aroma constituent of tea leaves.

   

3,5-dihydroxy-3,4-dihydro-1,4-benzothiazine

3,5-dihydroxy-3,4-dihydro-1,4-benzothiazine

C8H7NS (149.0299)


3,5-dihydroxy-3,4-dihydro-1,4-benzothiazine is classified as a member of the Benzothiazines. Benzothiazines are organic compounds containing a benzene fused to a thiazine ring (a six-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom). 3,5-dihydroxy-3,4-dihydro-1,4-benzothiazine is considered to be slightly soluble (in water) and basic

   

2H-1,4-Benzothiazine

2H-1,4-Benzothiazine

C8H7NS (149.0299)


   

3-(2-Chloroethyl)oxazolidin-2-one

3-(2-chloroethyl)-1,3-oxazolidin-2-one

C5H8ClNO2 (149.0244)


D000890 - Anti-Infective Agents > D023303 - Oxazolidinones

   

3-Chloro-4,4-dimethyl-2-oxazolidinone

3-chloro-4,4-dimethyl-1,3-oxazolidin-2-one

C5H8ClNO2 (149.0244)


D000890 - Anti-Infective Agents > D023303 - Oxazolidinones

   

Benzothiazine

2H-1,2-benzothiazine

C8H7NS (149.0299)


   

N-(Mercaptoacetyl)glycine

2-[(1-Hydroxy-2-sulphanylethylidene)amino]acetic acid

C4H7NO3S (149.0147)


   

(Z)-2-Amino-5-chloro-4-pentenoic acid

(S)-cis-Amino-5-chloro-4-pentenoic acid

C5H8ClNO2 (149.0244)


   

Benzyl isothiocyanate

phenylmethyl isothiocyanate

C8H7NS (149.0299)


Benzyl isothiocyanate is a member of natural isothiocyanates with antimicrobial activity[1][2]. Benzyl isothiocyanate potent inhibits cell mobility, migration and invasion nature and matrix metalloproteinase-2 (MMP-2) activity of murine melanoma cells[2]. Benzyl isothiocyanate is a member of natural isothiocyanates with antimicrobial activity[1][2]. Benzyl isothiocyanate potent inhibits cell mobility, migration and invasion nature and matrix metalloproteinase-2 (MMP-2) activity of murine melanoma cells[2].

   

2-amino-5-chloro-4-pentenoic acid

2-amino-5-chloro-4-pentenoic acid

C5H8ClNO2 (149.0244)


   

6-Methylthieno[2,3-b]pyridine

6-Methylthieno[2,3-b]pyridine

C8H7NS (149.0299)


   

5-Methylthieno[3,2-b]pyridine

5-Methylthieno[3,2-b]pyridine

C8H7NS (149.0299)


   

2-Methylbenzothiazole

2-Methylbenzothiazole

C8H7NS (149.0299)


CONFIDENCE standard compound; INTERNAL_ID 8786

   

Benzyl Isothiocyanate_major

Benzyl Isothiocyanate_major

C8H7NS (149.0299)


   

Spirotrypan

2-Methyl-1,3-benzothiazole

C8H7NS (149.0299)


   

5-cyanopyrazine-2-carboxylic acid

5-cyanopyrazine-2-carboxylic acid

C6H3N3O2 (149.0225)


   

2-Cyano-4-nitropyridine

2-Cyano-4-nitropyridine

C6H3N3O2 (149.0225)


   

5-Nitropicolinonitrile

5-Nitropicolinonitrile

C6H3N3O2 (149.0225)


   

4-Fluoro-3-formylbenzonitrile

4-Fluoro-3-formylbenzonitrile

C8H4FNO (149.0277)


   

2-Thienylpyrrole

2-Thienylpyrrole

C8H7NS (149.0299)


   

3-Fluoro-5-formylbenzonitrile

3-Fluoro-5-formylbenzonitrile

C8H4FNO (149.0277)


   

Thieno[3,2-c]pyridine,6-methyl-

Thieno[3,2-c]pyridine,6-methyl-

C8H7NS (149.0299)


   

2-Fluoro-5-formylbenzonitrile

2-Fluoro-5-formylbenzonitrile

C8H4FNO (149.0277)


   

3,3,3-Trifluoropropan-1-amine hydrochloride

3,3,3-Trifluoropropan-1-amine hydrochloride

C3H7ClF3N (149.0219)


   

4-Fluoro-2-formylbenzonitrile

4-Fluoro-2-formylbenzonitrile

C8H4FNO (149.0277)


   

DL-Propargylglycine

DL-Propargylglycine

C5H8ClNO2 (149.0244)


   

phenylthioacetonitrile

phenylthioacetonitrile

C8H7NS (149.0299)


   

4-(Methylsulfanyl)benzonitrile

4-(Methylsulfanyl)benzonitrile

C8H7NS (149.0299)


   

2-chloro-n-methylacetoacetamide

2-chloro-n-methylacetoacetamide

C5H8ClNO2 (149.0244)


   

1,1,1-Trifluoro-2-propanamine hydrochloride (1:1)

1,1,1-Trifluoro-2-propanamine hydrochloride (1:1)

C3H7ClF3N (149.0219)


   

4-Methyl-Benzothiazole

4-Methyl-Benzothiazole

C8H7NS (149.0299)


   

Piperidine-3,5-dione hydrochloride

Piperidine-3,5-dione hydrochloride

C5H8ClNO2 (149.0244)


   

3-Chloro-4-hydroxy-2-piperidinone

3-Chloro-4-hydroxy-2-piperidinone

C5H8ClNO2 (149.0244)


   

3-Fluoro-2-formylbenzonitrile

3-Fluoro-2-formylbenzonitrile

C8H4FNO (149.0277)


   

BENZO[B]THIOPHEN-7-AMINE

BENZO[B]THIOPHEN-7-AMINE

C8H7NS (149.0299)


   

3-CYANO-4-NITROPYRIDINE

3-CYANO-4-NITROPYRIDINE

C6H3N3O2 (149.0225)


   

1,1-dioxothiazinan-3-one

1,1-dioxothiazinan-3-one

C4H7NO3S (149.0147)


   

4-(Chloroformyl)morpholine

4-(Chloroformyl)morpholine

C5H8ClNO2 (149.0244)


   

5-METHYLBENZOTHIAZOLE

5-METHYLBENZOTHIAZOLE

C8H7NS (149.0299)


   

3-Cyanothioanisole

3-Cyanothioanisole

C8H7NS (149.0299)


   
   

6-Methyl-Benzothiazole

6-Methyl-Benzothiazole

C8H7NS (149.0299)


   

(4-FLUORO-PHENYL)-OXO-ACETONITRILE?

(4-FLUORO-PHENYL)-OXO-ACETONITRILE?

C8H4FNO (149.0277)


   

(3-FLUORO-PHENYL)-OXO-ACETONITRILE

(3-FLUORO-PHENYL)-OXO-ACETONITRILE

C8H4FNO (149.0277)


   

2-(methylthio)benzonitrile

2-(methylthio)benzonitrile

C8H7NS (149.0299)


   

4-Cyano-3-fluorobenzaldehyde

4-Cyano-3-fluorobenzaldehyde

C8H4FNO (149.0277)


   

1-benzothiophen-4-amine

1-benzothiophen-4-amine

C8H7NS (149.0299)


   

Benzo[b]thiophen-6-amine

Benzo[b]thiophen-6-amine

C8H7NS (149.0299)


   

BENZO[B]THIOPHEN-3-AMINE

BENZO[B]THIOPHEN-3-AMINE

C8H7NS (149.0299)


   

Benzo[b]thiophen-5-amine

Benzo[b]thiophen-5-amine

C8H7NS (149.0299)


   

3,4-Dehydro-L-proline hydrochloride

3,4-Dehydro-L-proline hydrochloride

C5H8ClNO2 (149.0244)


   

5-Fluoro-2-formylbenzonitrile

5-Fluoro-2-formylbenzonitrile

C8H4FNO (149.0277)


   

Benzo[b]thiophen-2-amine

Benzo[b]thiophen-2-amine

C8H7NS (149.0299)


   

1-(2-Thienyl)cyclopropanecarbonitrile

1-(2-Thienyl)cyclopropanecarbonitrile

C8H7NS (149.0299)


   

4-Pyridinecarbonitrile,3-nitro-(9CI)

4-Pyridinecarbonitrile,3-nitro-(9CI)

C6H3N3O2 (149.0225)


   

Thieno[2,3-b]pyridine, 4-methyl- (6CI,7CI,8CI,9CI)

Thieno[2,3-b]pyridine, 4-methyl- (6CI,7CI,8CI,9CI)

C8H7NS (149.0299)


   

2-Methylphenyl isothiocyanate

2-Methylphenyl isothiocyanate

C8H7NS (149.0299)


   

4-Methylphenyl isothiocyanate

4-Methylphenyl isothiocyanate

C8H7NS (149.0299)


   

3-Methylphenyl isothiocyanate

3-Methylphenyl isothiocyanate

C8H7NS (149.0299)


   

1H-Indol-3-ylhydrosulfide

1H-Indol-3-ylhydrosulfide

C8H7NS (149.0299)


   

2,2,3,3,3-Pentafluoro-1-propanamine

2,2,3,3,3-Pentafluoro-1-propanamine

C3H4F5N (149.0264)


   

2,2,2-TRIFLUORO-N-METHYLETHANAMINE HYDROCHLORIDE

2,2,2-TRIFLUORO-N-METHYLETHANAMINE HYDROCHLORIDE

C3H7ClF3N (149.0219)


   

(2-Fluorophenyl)(oxo)acetonitrile

(2-Fluorophenyl)(oxo)acetonitrile

C8H4FNO (149.0277)


   

4-Methylthieno[3,2-c]pyridine

4-Methylthieno[3,2-c]pyridine

C8H7NS (149.0299)


   

5-Methylbenzo[c]isothiazole

5-Methylbenzo[c]isothiazole

C8H7NS (149.0299)


   

2,3-Pyrazine dicarboxamide

2,3-Pyrazine dicarboxamide

C6H3N3O2 (149.0225)


   

2-Fluoro-3-formyl-benzonitrile

2-Fluoro-3-formyl-benzonitrile

C8H4FNO (149.0277)


   

Thieno[2,3-b]pyridine, 6-methyl- (7CI,8CI,9CI)

Thieno[2,3-b]pyridine, 6-methyl- (7CI,8CI,9CI)

C8H7NS (149.0299)


   

3-Nitro-2-pyridinecarbonitrile

3-Nitro-2-pyridinecarbonitrile

C6H3N3O2 (149.0225)


   

1-isocyano-4-methylsulfanylbenzene

1-isocyano-4-methylsulfanylbenzene

C8H7NS (149.0299)


   

3H-Indole-2-thiol

3H-Indole-2-thiol

C8H7NS (149.0299)


   

2-Formylbenzoate

2-Formylbenzoate

C8H5O3- (149.0239)


A benzoate anion arising from deprotonation of the carboxy group of 2-formylbenzoic acid; major species at pH 7.3.

   

N-(Mercaptoacetyl)glycine

N-(Mercaptoacetyl)glycine

C4H7NO3S (149.0147)


   

Tropeolin

InChI=1\C8H7NS\c9-7-10-6-8-4-2-1-3-5-8\h1-5H,6H

C8H7NS (149.0299)


   

Urogran

4-12-00-02276 (Beilstein Handbook Reference)

C8H7NS (149.0299)


Benzyl isothiocyanate is a member of natural isothiocyanates with antimicrobial activity[1][2]. Benzyl isothiocyanate potent inhibits cell mobility, migration and invasion nature and matrix metalloproteinase-2 (MMP-2) activity of murine melanoma cells[2]. Benzyl isothiocyanate is a member of natural isothiocyanates with antimicrobial activity[1][2]. Benzyl isothiocyanate potent inhibits cell mobility, migration and invasion nature and matrix metalloproteinase-2 (MMP-2) activity of murine melanoma cells[2].

   

120-75-2

InChI=1\C8H7NS\c1-6-9-7-4-2-3-5-8(7)10-6\h2-5H,1H

C8H7NS (149.0299)


   

Phenylglyoxylate

Phenylglyoxylate

C8H5O3- (149.0239)


A member of the class of glyoxylates, that is obtained by removal of a proton from the carboxylic acid group of phenylglyoxylic acid. D000890 - Anti-Infective Agents > D000892 - Anti-Infective Agents, Urinary > D008333 - Mandelic Acids

   

4-FORMYLBENZOate

4-FORMYLBENZOate

C8H5O3- (149.0239)


A benzoate that is the conjugate base of 4-formylbenzoic acid arising from the deprotonation of the carboxy group; Major microspecies at pH 7.3.

   

(2R)-2-hydroxy-4-(methylsulfanyl)butanoate

(2R)-2-hydroxy-4-(methylsulfanyl)butanoate

C5H9O3S- (149.0272)


   

3-Formylbenzoate

3-Formylbenzoate

C8H5O3- (149.0239)


   

Methyl 2-cyanoethanesulfonate

Methyl 2-cyanoethanesulfonate

C4H7NO3S (149.0147)


   

Benzyl thiocyanate

Benzyl thiocyanate

C8H7NS (149.0299)


   

L-2-amino-4-chloropent-4-enoic acid

(2S)-2-amino-4-chloropent-4-enoic acid

C5H8ClNO2 (149.0244)


An alpha-amino acid having a 2-chloro-2-propenyl group at the alpha-position and L-configuration.

   

L-2-amino-4-chloropent-4-enoic acid zwitterion

L-2-amino-4-chloropent-4-enoic acid zwitterion

C5H8ClNO2 (149.0244)


An L-alpha-amino acid zwitterion obtained from L-2-amino-4-chloropent-4-enoic acid by transfer of a proton from the carboxy group to the amino group. It is the major species at pH 7.3.

   

4-chloro-3-hydroxypent-4-enimidic acid

4-chloro-3-hydroxypent-4-enimidic acid

C5H8ClNO2 (149.0244)


   

(3r)-4-chloro-3-hydroxypent-4-enimidic acid

(3r)-4-chloro-3-hydroxypent-4-enimidic acid

C5H8ClNO2 (149.0244)


   

2-amino-5-chloropent-4-enoic acid

2-amino-5-chloropent-4-enoic acid

C5H8ClNO2 (149.0244)


   

(2s,4z)-2-amino-5-chloropent-4-enoic acid

(2s,4z)-2-amino-5-chloropent-4-enoic acid

C5H8ClNO2 (149.0244)