Exact Mass: 175.00449409

Exact Mass Matches: 175.00449409

Found 85 metabolites which its exact mass value is equals to given mass value 175.00449409, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

2-Amino-5-chloromuconate 6-semialdehyde

2-Amino-5-chloro-cis,cis-muconic 6-semialdehyde

C6H6ClNO3 (175.0036196)


   

(R)-(E)-Sulforaphene

ISOTHIOCYANIC ACID, 4-(METHYLSULFINYL)-3-BUTENYL ESTER

C6H9NOS2 (175.0125544)


Mustard oil from Glucoraphenin (see 4-(Methylthio)-3-butenyl glucosinolate KZZ70-M) in radish seeds (Raphanus sativus variety alba). (R)-(E)-Sulforaphene is found in root vegetables. (R)-(E)-Sulforaphene is found in root vegetables. Mustard oil from Glucoraphenin (see 4-(Methylthio)-3-butenyl glucosinolate KZZ70-M) in radish seeds (Raphanus sativus var. alba Sulforaphene is a natural product found in Thulinella chrysantha, Matthiola incana, and Raphanus sativus with data available. Sulforaphene, isolated from radish seeds, exhibits an ED50 against velvetleaf seedlings approximately 2 x 10-4 M. Sulforaphene promotes cancer cells apoptosis and inhibits migration via inhibiting EGFR, p-ERK1/2, NF‐κB and other signals[1][2][3][4]. Sulforaphene, isolated from radish seeds, exhibits an ED50 against velvetleaf seedlings approximately 2 x 10-4 M. Sulforaphene promotes cancer cells apoptosis and inhibits migration via inhibiting EGFR, p-ERK1/2, NF‐κB and other signals[1][2][3][4]. Sulforaphene, isolated from radish seeds, exhibits an ED50 against velvetleaf seedlings approximately 2 x 10-4 M. Sulforaphene promotes cancer cells apoptosis and inhibits migration via inhibiting EGFR, p-ERK1/2, NF‐κB and other signals[1][2][3][4].

   

Sulforaphene

(1E)-4-Isothiocyanato-1-(methylsulfinyl)-1-butene

C6H9NOS2 (175.0125544)


(r)-(e)-sulforaphene is a member of the class of compounds known as sulfoxides. Sulfoxides are compounds containing a sulfoxide functional group, with the structure RS(=O)R (R,R not H) (r)-(e)-sulforaphene is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). (r)-(e)-sulforaphene can be found in root vegetables, which makes (r)-(e)-sulforaphene a potential biomarker for the consumption of this food product. Acquisition and generation of the data is financially supported in part by CREST/JST.; L Sulforaphene, 99\\\\\% / (-)4-Isothiocyanato-4R-(methylsulfinyl)-1-butene Sulforaphene, isolated from radish seeds, exhibits an ED50 against velvetleaf seedlings approximately 2 x 10-4 M. Sulforaphene promotes cancer cells apoptosis and inhibits migration via inhibiting EGFR, p-ERK1/2, NF‐κB and other signals[1][2][3][4]. Sulforaphene, isolated from radish seeds, exhibits an ED50 against velvetleaf seedlings approximately 2 x 10-4 M. Sulforaphene promotes cancer cells apoptosis and inhibits migration via inhibiting EGFR, p-ERK1/2, NF‐κB and other signals[1][2][3][4]. Sulforaphene, isolated from radish seeds, exhibits an ED50 against velvetleaf seedlings approximately 2 x 10-4 M. Sulforaphene promotes cancer cells apoptosis and inhibits migration via inhibiting EGFR, p-ERK1/2, NF‐κB and other signals[1][2][3][4].

   

S-Sulforaphene

(1E)-4-Isothiocyanato-1-(methylsulfinyl)-1-butene

C6H9NOS2 (175.0125544)


Sulforaphene, isolated from radish seeds, exhibits an ED50 against velvetleaf seedlings approximately 2 x 10-4 M. Sulforaphene promotes cancer cells apoptosis and inhibits migration via inhibiting EGFR, p-ERK1/2, NF‐κB and other signals[1][2][3][4]. Sulforaphene, isolated from radish seeds, exhibits an ED50 against velvetleaf seedlings approximately 2 x 10-4 M. Sulforaphene promotes cancer cells apoptosis and inhibits migration via inhibiting EGFR, p-ERK1/2, NF‐κB and other signals[1][2][3][4]. Sulforaphene, isolated from radish seeds, exhibits an ED50 against velvetleaf seedlings approximately 2 x 10-4 M. Sulforaphene promotes cancer cells apoptosis and inhibits migration via inhibiting EGFR, p-ERK1/2, NF‐κB and other signals[1][2][3][4].

   

1-Methylsulfinylbutenyl isothiocyante

1-Methylsulfinylbutenyl isothiocyante

C6H9NOS2 (175.0125544)


Annotation level-1

   

(R)-(E)-Sulforaphene

(1E)-4-isothiocyanato-1-methanesulfinylbut-1-ene

C6H9NOS2 (175.0125544)


   

1-BENZOTHIOPHEN-3-YL ISOCYANATE

1-BENZOTHIOPHEN-3-YL ISOCYANATE

C9H5NOS (175.009184)


   

DL-cysteine hydrochloride monohydrate

DL-cysteine hydrochloride monohydrate

C3H10ClNO3S (175.00699)


   
   

2-(aminomethyl)thiazole-5-carbonitrile hydrochloride

2-(aminomethyl)thiazole-5-carbonitrile hydrochloride

C5H6ClN3S (174.9970946)


   

1-(2,3-Dichlorophenyl)methanamine

1-(2,3-Dichlorophenyl)methanamine

C7H7Cl2N (174.9955522)


   

3-Chloro-5-isoxazolepropanoic acid

3-Chloro-5-isoxazolepropanoic acid

C6H6ClNO3 (175.0036196)


   

2-(CHLOROACETYL)-5-METHYLISOXAZOL-3(2H)-ONE

2-(CHLOROACETYL)-5-METHYLISOXAZOL-3(2H)-ONE

C6H6ClNO3 (175.0036196)


   

2,5-dichlorobenzylamine

2,5-dichlorobenzylamine

C7H7Cl2N (174.9955522)


   

6-Bromohexanenitrile

6-Bromohexanenitrile

C6H10BrN (174.999656)


   

1-(3,5-Dichlorophenyl)methanamine

1-(3,5-Dichlorophenyl)methanamine

C7H7Cl2N (174.9955522)


   

4-Hydroxy-1-benzothiophene-2-carbonitrile

4-Hydroxy-1-benzothiophene-2-carbonitrile

C9H5NOS (175.009184)


   

4,6-Dichloro-2,3-dimethylpyridine

4,6-Dichloro-2,3-dimethylpyridine

C7H7Cl2N (174.9955522)


   

5-Chloro-2-fluoropyridine-4-boronic acid

5-Chloro-2-fluoropyridine-4-boronic acid

C5H4BClFNO2 (175.00076360000003)


   

(6-Chloro-5-fluoro-3-pyridinyl)boronic acid

(6-Chloro-5-fluoro-3-pyridinyl)boronic acid

C5H4BClFNO2 (175.00076360000003)


   

2,3-Difluoro-4-nitrophenol

2,3-Difluoro-4-nitrophenol

C6H3F2NO3 (175.0080992)


   

2,4-Difluoro-5-nitrophenol

2,4-Difluoro-5-nitrophenol

C6H3F2NO3 (175.0080992)


   

3,5-Bis(chloromethyl)pyridine

3,5-Bis(chloromethyl)pyridine

C7H7Cl2N (174.9955522)


   

Ethyl 2-chloro-1,3-oxazole-5-carboxylate

Ethyl 2-chloro-1,3-oxazole-5-carboxylate

C6H6ClNO3 (175.0036196)


   

1-BENZOTHIOPHEN-5-YL ISOCYANATE

1-BENZOTHIOPHEN-5-YL ISOCYANATE

C9H5NOS (175.009184)


   

2-CHLORO-N-(2,2,2-TRIFLUOROETHYL)ACETAMIDE

2-CHLORO-N-(2,2,2-TRIFLUOROETHYL)ACETAMIDE

C4H5ClF3NO (175.00117459999998)


   

Ethyl 2-chlorooxazole-4-carboxylate

Ethyl 2-chlorooxazole-4-carboxylate

C6H6ClNO3 (175.0036196)


   

L-Cysteine hydrochloride hydrate

l-cysteine hydrochloride hydrate, 98.5-

C3H10ClNO3S (175.00699)


A hydrate that is the monohydrate form of L-cysteine hydrochloride. L-Cysteine hydrochloride hydrate is a conditionally essential amino acid, which acts as a precursor for biologically active molecules such as hydrogen sulphide (H2S), glutathione and taurine. L-Cysteine hydrochloride hydrate suppresses ghrelin and reduces appetite in rodents and humans[1].

   

6-Chloro-2-fluoropyridine-3-boronic acid

6-Chloro-2-fluoropyridine-3-boronic acid

C5H4BClFNO2 (175.00076360000003)


   

2,6-Difluoro-4-nitrophenol

2,6-Difluoro-4-nitrophenol

C6H3F2NO3 (175.0080992)


   

4,5-Difluoro-2-nitrophenol

4,5-Difluoro-2-nitrophenol

C6H3F2NO3 (175.0080992)


   

Aminobenzoate potassium

4-Aminobenzoic acid potassium salt

C7H6KNO2 (175.00355960000002)


D - Dermatologicals

   

3,4-Dichloro-N-methylaniline

3,4-Dichloro-N-methylaniline

C7H7Cl2N (174.9955522)


   

2-Chloro-5-fluoropyridine-4-boronic acid

2-Chloro-5-fluoropyridine-4-boronic acid

C5H4BClFNO2 (175.00076360000003)


   

benzyl-2,3,4,5,6-d5 bromide

benzyl-2,3,4,5,6-d5 bromide

C7H2BrD5 (175.00449409)


   

2,4-dichloro-3,6-dimethylpyridine

2,4-dichloro-3,6-dimethylpyridine

C7H7Cl2N (174.9955522)


   

2,4-dichloro-6-methylaniline

2,4-dichloro-6-methylaniline

C7H7Cl2N (174.9955522)


   

DL-Cysteine·HCl·H2O

DL-Cysteine·HCl·H2O

C3H10ClNO3S (175.00699)


   

(5-Chloro-2-fluoro-3-pyridinyl)boronic acid

(5-Chloro-2-fluoro-3-pyridinyl)boronic acid

C5H4BClFNO2 (175.00076360000003)


   

2,6-dichloro-4-toluidine

2,6-dichloro-4-toluidine

C7H7Cl2N (174.9955522)


   

4-Fluorobenzenesulfonamide

4-Fluorobenzenesulfonamide

C6H6FNO2S (175.0103268)


   

4-Fluoro-2-(methylsulfonyl)pyridine

4-Fluoro-2-(methylsulfonyl)pyridine

C6H6FNO2S (175.0103268)


   

(2,6-dichlorophenyl)methanamine

(2,6-dichlorophenyl)methanamine

C7H7Cl2N (174.9955522)


   

2,4-Dichlorobenzylamine

2,4-Dichlorobenzylamine

C7H7Cl2N (174.9955522)


   

2,4-Dichloro-5-methylaniline

2,4-Dichloro-5-methylaniline

C7H7Cl2N (174.9955522)


   

4,5-Dichloro-2-methylaniline

4,5-Dichloro-2-methylaniline

C7H7Cl2N (174.9955522)


   

3-Bromo-1-methyl-1,2,5,6-tetrahydropyridine

3-Bromo-1-methyl-1,2,5,6-tetrahydropyridine

C6H10BrN (174.999656)


   

methyl 2-(chloromethyl)oxazole-4-carboxylate

methyl 2-(chloromethyl)oxazole-4-carboxylate

C6H6ClNO3 (175.0036196)


   

3,5-Dichlorobenzylamine

3,5-Dichlorobenzylamine

C7H7Cl2N (174.9955522)


   

2-chloro-5-fluoropyridine-3-boronic acid

2-chloro-5-fluoropyridine-3-boronic acid

C5H4BClFNO2 (175.00076360000003)


   

Ethyl 2-fluorothiazole-4-carboxylate

Ethyl 2-fluorothiazole-4-carboxylate

C6H6FNO2S (175.0103268)


   

4-HYDROXY-3,3-DIMETHYLBUTYRONITRILE

4-HYDROXY-3,3-DIMETHYLBUTYRONITRILE

C6H10BrN (174.999656)


   

2(3H)-THIAZOLETHIONE, 5-(2-HYDROXYETHYL)-4-METHYL-

2(3H)-THIAZOLETHIONE, 5-(2-HYDROXYETHYL)-4-METHYL-

C6H9NOS2 (175.0125544)


   

2,3,4,5-TETRAFLUOROBENZONITRILE

2,3,4,5-TETRAFLUOROBENZONITRILE

C7HF4N (175.00451139999998)


   

2,3-Difluoro-6-nitrophenol

2,3-Difluoro-6-nitrophenol

C6H3F2NO3 (175.0080992)


   

1-(2-sulfanylidene-1,3-thiazolidin-3-yl)propan-1-one

1-(2-sulfanylidene-1,3-thiazolidin-3-yl)propan-1-one

C6H9NOS2 (175.0125544)


   

3-Chloro-2-fluoropyridine-4-boronic acid

3-Chloro-2-fluoropyridine-4-boronic acid

C5H4BClFNO2 (175.00076360000003)


   

3,4-Dichloro-2-methylaniline

3,4-Dichloro-2-methylaniline

C7H7Cl2N (174.9955522)


   

2,3-BIS(CHLOROMETHYL)PYRIDINE

2,3-BIS(CHLOROMETHYL)PYRIDINE

C7H7Cl2N (174.9955522)


   

4-Amino-6-chloro-2-(methylthio)pyrimidine

4-Amino-6-chloro-2-(methylthio)pyrimidine

C5H6ClN3S (174.9970946)


   

4-chloro-2-(chloromethyl)-3-methylpyridine

4-chloro-2-(chloromethyl)-3-methylpyridine

C7H7Cl2N (174.9955522)


   

3,4-Bis(chloromethyl)pyridine

3,4-Bis(chloromethyl)pyridine

C7H7Cl2N (174.9955522)


   

3-Fluorobenzenesulfonamide

3-Fluorobenzenesulfonamide

C6H6FNO2S (175.0103268)


   

benzylamine, 3,4-dichloro-

benzylamine, 3,4-dichloro-

C7H7Cl2N (174.9955522)


   

2-Fluorobenzenesulfonamide

2-Fluorobenzenesulfonamide

C6H6FNO2S (175.0103268)


   

3,5-Difluoro-2-nitrophenol

3,5-Difluoro-2-nitrophenol

C6H3F2NO3 (175.0080992)


   

(5-Chloro-6-fluoro-3-pyridinyl)boronic acid

(5-Chloro-6-fluoro-3-pyridinyl)boronic acid

C5H4BClFNO2 (175.00076360000003)


   

2,4-difluoro-6-nitrophenol

2,4-difluoro-6-nitrophenol

C6H3F2NO3 (175.0080992)


   

2,5-DIFLUORO-4-NITROPHENOL

2,5-DIFLUORO-4-NITROPHENOL

C6H3F2NO3 (175.0080992)


   

3,5-Dichloro-4-methylaniline

3,5-Dichloro-4-methylaniline

C7H7Cl2N (174.9955522)


   

(2-Chloro-3-fluoro-4-pyridinyl)boronic acid

(2-Chloro-3-fluoro-4-pyridinyl)boronic acid

C5H4BClFNO2 (175.00076360000003)


   

Benzamide, N-hydroxy-,potassium salt (1:1)

Benzamide, N-hydroxy-,potassium salt (1:1)

C7H6KNO2 (175.00355960000002)


   

2,3,5,6-Tetrafluorobenzonitrile

2,3,5,6-Tetrafluorobenzonitrile

C7HF4N (175.00451139999998)


   

N-Methyl 2,4-dichloroaniline

N-Methyl 2,4-dichloroaniline

C7H7Cl2N (174.9955522)


   

N-fluorobenzenesulfonamide

N-fluorobenzenesulfonamide

C6H6FNO2S (175.0103268)


   

p-Sulfanilyl fluoride

p-Sulfanilyl fluoride

C6H6FNO2S (175.0103268)


   

ethyl 2-chloroxazole-4-carboxylate

ethyl 2-chloroxazole-4-carboxylate

C6H6ClNO3 (175.0036196)


   
   

Pyridine,2,6-bis(chloromethyl)-

Pyridine,2,6-bis(chloromethyl)-

C7H7Cl2N (174.9955522)


   

2,6-dichloro-m-toluidine

2,6-dichloro-m-toluidine

C7H7Cl2N (174.9955522)


   

(2Z,4Z)-2-amino-5-chloro-6-oxohexa-2,4-dienoic acid

(2Z,4Z)-2-amino-5-chloro-6-oxohexa-2,4-dienoic acid

C6H6ClNO3 (175.0036196)


   

2-Amino-5-chloro-cis,cis-muconic 6-semialdehyde

2-Amino-5-chloro-cis,cis-muconic 6-semialdehyde

C6H6ClNO3 (175.0036196)


A muconic semialdehyde having amino and chloro substituents at positions 2 and 5 respectively.

   

2-amino-5-chloro-cis,cis-muconate 6-semialdehyde zwitterion

2-amino-5-chloro-cis,cis-muconate 6-semialdehyde zwitterion

C6H6ClNO3 (175.0036196)


An amino acid zwitterion obtained by transfer of a proton from the amino to the carboxy group of 2-amino-5-chloro-cis,cis-muconic 6-semialdehyde

   

4-isothiocyanato-1-methanesulfinylbut-1-ene

4-isothiocyanato-1-methanesulfinylbut-1-ene

C6H9NOS2 (175.0125544)


   

(1e)-4-isothiocyanato-1-[(s)-methanesulfinyl]but-1-ene

(1e)-4-isothiocyanato-1-[(s)-methanesulfinyl]but-1-ene

C6H9NOS2 (175.0125544)