Exact Mass: 162.9633

Exact Mass Matches: 162.9633

Found 115 metabolites which its exact mass value is equals to given mass value 162.9633, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

2-Thiophenesulfonamide

thiophene-2-sulfonamide

C4H5NO2S2 (162.9762)


   

benzoylthiocarbimide

Benzoyl isothiocyanate

C8H5NOS (163.0092)


   

3-Methylsulfinylpropyl isothiocyanate

ISOTHIOCYANIC ACID, 3-(METHYLSULFINYL)PROPYL ESTER

C5H9NOS2 (163.0126)


Consumption of broccoli sprouts has shown to be effective at inhibiting Helicobacter pylori growth with sulforaphane being at least one of the active agents. Sulforaphane is an anticancer and antimicrobial compound which can be obtained by eating cruciferous vegetables such as brussel sprouts, broccoli, cauliflower, bok choy, kale, collards, arugula, broccoli sprouts, chinese broccoli, broccoli raab, kohlrabi, mustard, turnip, radish, watercress and cabbage. The enzyme myrosinase transforms glucoraphanin (a glucosinolate) into sulforaphane upon damage to the plant (such as from chewing). The young sprouts of broccoli and cauliflower are particularly rich in glucoraphanin. Iberin is an isothiocyanate that is 1-isothiocyanatopropane in which a hydrogen at position 3 has been replaced by a methylsulfinyl group. A glucosinolate hydrolysis product found in many members of the Brassicaceae family, it is a quorum-sensing inhibitor (QSI) of the bacterial pathogen Pseudomonas aeruginosa. It has a role as a quorum sensing inhibitor, a plant metabolite and an apoptosis inducer. It is a sulfoxide and an isothiocyanate. Iberin is a natural product found in Arabidopsis thaliana, Brassica, and Brassica oleracea with data available. An isothiocyanate that is 1-isothiocyanatopropane in which a hydrogen at position 3 has been replaced by a methylsulfinyl group. A glucosinolate hydrolysis product found in many members of the Brassicaceae family, it is a quorum-sensing inhibitor (QSI) of the bacterial pathogen Pseudomonas aeruginosa.

   

Acesulfame

6-Methyl-3,4-dihydro-1,2,3-oxathiazin-4-one 2,2-dioxide

C4H5NO4S (162.9939)


Acesulfame is a non-nutritive sweetener Acesulfame potassium is a calorie-free artificial sweetener, also known as Acesulfame K or Ace K (K being the symbol for potassium), and marketed under the trade names Sunett and Sweet One. In the European Union, it is known under the E number (additive code) E950. It was discovered accidentally in 1967 by German chemist Karl Clauss at Hoechst AG (now Nutrinova). In chemical structure, acesulfame potassium is the potassium salt of 6-methyl-1,2,3- oxathiazine-4(3H)-one 2,2-dioxide. It is a white crystalline powder with molecular formula C4H4KNO4S and a molecular weight of 201.24. Non-nutritive sweetener [DFC]

   

Raphanusamic acid

2-Sulphanyl-4,5-dihydro-1,3-thiazole-4-carboxylic acid

C4H5NO2S2 (162.9762)


Raphanusamic acid is found in brassicas. Raphanusamic acid is isolated from etiolated seedlings of Raphanus sativus var. hortensis (Japanese radish Daikon). Isolated from etiolated seedlings of Raphanus sativus variety hortensis (Japanese radish Daikon). Raphanusamic acid is found in brassicas.

   

2-Thiothiazolidine-4-carboxylic acid

(4R)-2-sulfanyl-4,5-dihydro-1,3-thiazole-4-carboxylic acid

C4H5NO2S2 (162.9762)


2-thiothiazolidine-4-carboxylic acid belongs to the family of Thiazolidinethiones. These are heterocyclic compounds containing a thiazolidinethione ring which bears one thioketone group.

   

2-Thioxo1,3-thiazolidine-4-carboxylic acid

2-Thioxo1,3-thiazolidine-4-carboxylic acid

C4H5NO2S2 (162.9762)


   

3-Methylsulfinyl propyl isothiocyanate

(S)-3-(Methylsulfinyl)propyl isothiocyanate

C5H9NOS2 (163.0126)


   

deamino alpha-keto demethylphosphinothricin

deamino alpha-keto demethylphosphinothricin

C4H4O5P- (162.9796)


   

ACESULFAME

ACESULFAME

C4H5NO4S (162.9939)


CONFIDENCE standard compound; INTERNAL_ID 963; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1249; ORIGINAL_PRECURSOR_SCAN_NO 1248 CONFIDENCE standard compound; INTERNAL_ID 963; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1271; ORIGINAL_PRECURSOR_SCAN_NO 1270 CONFIDENCE standard compound; INTERNAL_ID 963; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1265; ORIGINAL_PRECURSOR_SCAN_NO 1264 CONFIDENCE standard compound; INTERNAL_ID 963; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1264; ORIGINAL_PRECURSOR_SCAN_NO 1263 CONFIDENCE standard compound; INTERNAL_ID 963; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1253; ORIGINAL_PRECURSOR_SCAN_NO 1252 CONFIDENCE standard compound; INTERNAL_ID 963; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1263; ORIGINAL_PRECURSOR_SCAN_NO 1262 CONFIDENCE standard compound; INTERNAL_ID 2377 CONFIDENCE standard compound; EAWAG_UCHEM_ID 2756

   

Acesulfame K

Acesulfame K

C4H5NO4S (162.9939)


   

3-Methylsulfinylpropyl isothiocyanate

1-isothiocyanato-3-(methylsulfinyl)propane

C5H9NOS2 (163.0126)


   

Acesulfame-K

Acesulfame-K

C4H5NO4S (162.9939)


   

Raphanusamic acid

2-sulfanylidene-1,3-thiazolidine-4-carboxylic acid

C4H5NO2S2 (162.9762)


A thiazolidinemonocarboxylic acid that is 2-thioxo-1,3-thiazolidine with the carboxy group located at position 4 (the R-enantiomer).

   

Thioxothiazolidine-4-carboxylic Acid

(4R)-2-sulfanyl-4,5-dihydro-1,3-thiazole-4-carboxylic acid

C4H5NO2S2 (162.9762)


   

5-CHLORO-1,2,3-THIADIAZOLE-4-CARBOXAMIDE

5-CHLORO-1,2,3-THIADIAZOLE-4-CARBOXAMIDE

C3H2ClN3OS (162.9607)


   

4-Isoxazolesulfonicacid,5-methyl-(9CI)

4-Isoxazolesulfonicacid,5-methyl-(9CI)

C4H5NO4S (162.9939)


   

1,3-Benzothiazole-6-carbaldehyde

1,3-Benzothiazole-6-carbaldehyde

C8H5NOS (163.0092)


   

3-Bromopiperidine

3-Bromopiperidine

C5H10BrN (162.9997)


   

5-(Chloromethyl)-2-methoxy-1,3-thiazole

5-(Chloromethyl)-2-methoxy-1,3-thiazole

C5H6ClNOS (162.9859)


   

2,4-DICHLORO-6-METHYL-S-TRIAZINE

2,4-DICHLORO-6-METHYL-S-TRIAZINE

C4H3Cl2N3 (162.9704)


   

buttpark 10001-13

buttpark 10001-13

C6H4ClF2N (163)


   

1,2-Dithiolane-4-carboxamide,4-methyl-(9CI)

1,2-Dithiolane-4-carboxamide,4-methyl-(9CI)

C5H9NOS2 (163.0126)


   

3-Bromo-1-methylpyrrolidine

3-Bromo-1-methylpyrrolidine

C5H10BrN (162.9997)


   

2,6-Dichloro-4-pyridinol

2,6-Dichloro-4-pyridinol

C5H3Cl2NO (162.9592)


   

4-CHLOROMETHYL-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

4-CHLOROMETHYL-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

C5H6ClNOS (162.9859)


   

2-Chloro-3,4-difluoroaniline

2-Chloro-3,4-difluoroaniline

C6H4ClF2N (163)


   

2-Chloro-4-(difluoromethyl)pyridine

2-Chloro-4-(difluoromethyl)pyridine

C6H4ClF2N (163)


   

Benzo[d]thiazole-5-carbaldehyde

Benzo[d]thiazole-5-carbaldehyde

C8H5NOS (163.0092)


   

2-Chloro-4-thiazolecarboxylic acid

2-Chloro-4-thiazolecarboxylic acid

C4H2ClNO2S (162.9495)


   

4-Chloro-2,3-difluoroaniline

4-Chloro-2,3-difluoroaniline

C6H4ClF2N (163)


   

Benzenamine, 2-chloro-,hydrochloride (1:1)

Benzenamine, 2-chloro-,hydrochloride (1:1)

C6H7Cl2N (162.9956)


   

2-bromopiperidine

2-bromopiperidine

C5H10BrN (162.9997)


   

POLY(ETHYLENE-CO-ACRYLIC ACID), ZINC SALT

POLY(ETHYLENE-CO-ACRYLIC ACID), ZINC SALT

C5H7O2Zn (162.9737)


   

2-(bromomethyl)pyrrolidine

2-(bromomethyl)pyrrolidine

C5H10BrN (162.9997)


   

3-Chloro-1,2-thiazole-4-carboxylic acid

3-Chloro-1,2-thiazole-4-carboxylic acid

C4H2ClNO2S (162.9495)


   

2,5-DICHLOROPYRIDIN-4-OL

2,5-DICHLOROPYRIDIN-4-OL

C5H3Cl2NO (162.9592)


   

2,6-dichlorotoluene-3,4,5-d3

2,6-dichlorotoluene-3,4,5-d3

C7H3Cl2D3 (163.0035)


   

4,6-Dichloropyridin-2(1H)-one

4,6-Dichloropyridin-2(1H)-one

C5H3Cl2NO (162.9592)


   

5,6-Dichloro-2-pyrazinamine

5,6-Dichloro-2-pyrazinamine

C4H3Cl2N3 (162.9704)


   

4-Chloro-3-picoline HCl

4-Chloro-3-picoline HCl

C6H7Cl2N (162.9956)


   

3,4-dichloro-5-hydroxypyridine

3,4-dichloro-5-hydroxypyridine

C5H3Cl2NO (162.9592)


   

4-chloro-2-picoline hcl

4-chloro-2-picoline hcl

C6H7Cl2N (162.9956)


   

2,4-dichlorpyrimidin-5-amin

2,4-dichlorpyrimidin-5-amin

C4H3Cl2N3 (162.9704)


   

2,5-Dichloropyrimidin-4-amine

2,5-Dichloropyrimidin-4-amine

C4H3Cl2N3 (162.9704)


   

Ammonium hexafluorophosphate

Ammonium hexafluorophosphate

H4F6NP (162.9986)


   

2,6-Dichloropyridine 1-oxide

2,6-Dichloropyridine 1-oxide

C5H3Cl2NO (162.9592)


   

chromium(3+),trifluoride,trihydrate

chromium(3+),trifluoride,trihydrate

CrF3H6O3 (162.9674)


   

Thieno[3,2-c]pyridine-2-carbaldehyde

Thieno[3,2-c]pyridine-2-carbaldehyde

C8H5NOS (163.0092)


   

4-Chloro-2,6-difluoroaniline

4-Chloro-2,6-difluoroaniline

C6H4ClF2N (163)


   

3-Chloroaniline hydrochloride

Benzenamine, 3-chloro-,hydrochloride (1:1)

C6H7Cl2N (162.9956)


   

3,5-Dichloro-2-pyridone

3,5-dichloropyridin-2-ol

C5H3Cl2NO (162.9592)


   

4,5-Dichloropyrimidin-2-amine

4,5-Dichloropyrimidin-2-amine

C4H3Cl2N3 (162.9704)


   

4,5-Dichloropyridin-2-ol

4,5-Dichloropyridin-2-ol

C5H3Cl2NO (162.9592)


   

3,6-Dichloropyrazin-2-amine

3,6-Dichloropyrazin-2-amine

C4H3Cl2N3 (162.9704)


   

3-Bromopropyl isocyanate

3-Bromopropyl isocyanate

C4H6BrNO (162.9633)


   

2-(Chloromethyl)pyridine HCl

2-(Chloromethyl)pyridine hydrochloride

C6H7Cl2N (162.9956)


   

4-methyl-1,2,4-triazole-3-sulfonic acid

4-methyl-1,2,4-triazole-3-sulfonic acid

C3H5N3O3S (163.0052)


   

4-Chlorothiazole-5-carboxylic acid

4-Chlorothiazole-5-carboxylic acid

C4H2ClNO2S (162.9495)


   

2,6-Dichloropyridin-3-ol

2,6-Dichloropyridin-3-ol

C5H3Cl2NO (162.9592)


   

Thieno[2,3-c]pyridine-2-carboxaldehyde (9CI)

Thieno[2,3-c]pyridine-2-carboxaldehyde (9CI)

C8H5NOS (163.0092)


   

2-Chloro-3,5-difluoroaniline

2-Chloro-3,5-difluoroaniline

C6H4ClF2N (163)


   

4-Amino-5,6-dichloropyrimidine

4-Amino-5,6-dichloropyrimidine

C4H3Cl2N3 (162.9704)


   

3-Bromopyrrolidin-2-one

3-Bromopyrrolidin-2-one

C4H6BrNO (162.9633)


   

5-Thiazolecarboxaldehyde, 4-chloro-2,3-dihydro-2-oxo-

5-Thiazolecarboxaldehyde, 4-chloro-2,3-dihydro-2-oxo-

C4H2ClNO2S (162.9495)


   

3,5-Dichloro-4-pyridinol

3,5-Dichloro-4-pyridinol

C5H3Cl2NO (162.9592)


   

2-Amino-4,6-dichloropyrimidine

2-Amino-4,6-dichloropyrimidine

C4H3Cl2N3 (162.9704)


   

4-Picolyl chloride hydrochloride

4-Picolyl chloride hydrochloride

C6H7Cl2N (162.9956)


   

Benzo[d]thiazole-7-carbaldehyde

Benzo[d]thiazole-7-carbaldehyde

C8H5NOS (163.0092)


   

3,5-Dichloropyridin-4-ol

3,5-Dichloropyridin-4-ol

C5H3Cl2NO (162.9592)


   

3,6-Dichloropyridazin-4-Amine

3,6-Dichloropyridazin-4-Amine

C4H3Cl2N3 (162.9704)


   

(2,6-Dichloro-pyrimidin-4-ylmethyl)-ethyl-amine

(2,6-Dichloro-pyrimidin-4-ylmethyl)-ethyl-amine

C5H10BrN (162.9997)


   

1H-Pyrrole-2-carbonyl chloride, 3-chloro- (9CI)

1H-Pyrrole-2-carbonyl chloride, 3-chloro- (9CI)

C5H3Cl2NO (162.9592)


   

2,5-Dichloropyridin-3-ol

2,5-Dichloropyridin-3-ol

C5H3Cl2NO (162.9592)


   

1-Bromocyclopropanecarboxamide

1-Bromocyclopropanecarboxamide

C4H6BrNO (162.9633)


   

2-Thiazolecarboxamidine Hydrochloride

2-Thiazolecarboxamidine Hydrochloride

C4H6ClN3S (162.9971)


   

5-CHLORO-THIAZOLE-2-CARBOXYLIC ACID

5-CHLORO-THIAZOLE-2-CARBOXYLIC ACID

C4H2ClNO2S (162.9495)


   

Benzothiazole-2-carboxaldehyde

Benzothiazole-2-carboxaldehyde

C8H5NOS (163.0092)


   

Sulfamide, 3-isoxazolyl- (9CI)

Sulfamide, 3-isoxazolyl- (9CI)

C3H5N3O3S (163.0052)


   

2-Amino-3,5-dichloropyrazine

2-Amino-3,5-dichloropyrazine

C4H3Cl2N3 (162.9704)


   

4-Amino-2,6-dichloropyrimidine

4-Amino-2,6-dichloropyrimidine

C4H3Cl2N3 (162.9704)


   

2-(Chloromethyl)-3,5-difluoropyridine

2-(Chloromethyl)-3,5-difluoropyridine

C6H4ClF2N (163)


   

5-Chloro-2,4-difluoroaniline

5-Chloro-2,4-difluoroaniline

C6H4ClF2N (163)


   

3-Chloro-2,4-difluoroaniline

3-Chloro-2,4-difluoroaniline

C6H4ClF2N (163)


   

2-Chloro-4,6-difluoroaniline

2-Chloro-4,6-difluoroaniline

C6H4ClF2N (163)


   

4-CHLORO-5-ISOTHIAZOLE CARBOXYLIC ACID

4-CHLORO-5-ISOTHIAZOLE CARBOXYLIC ACID

C4H2ClNO2S (162.9495)


   

2,4-Dichloro-3-pyridinol

2,4-Dichloro-3-pyridinol

C5H3Cl2NO (162.9592)


   

Thieno[3,2-c]pyridine-3-carbaldehyde

Thieno[3,2-c]pyridine-3-carbaldehyde

C8H5NOS (163.0092)


   

2,2,2-Trifluoroethanesulfonamide

2,2,2-Trifluoroethanesulfonamide

C2H4F3NO2S (162.9915)


   

2,3-Dichloro-4-hydroxypyridine

2,3-Dichloro-4-hydroxypyridine

C5H3Cl2NO (162.9592)


   

4-Chloroaniline hydrochloride (1:1)

4-Chloroaniline hydrochloride (1:1)

C6H7Cl2N (162.9956)


   

Thieno[2,3-b]pyridine-2-carboxaldehyde

Thieno[2,3-b]pyridine-2-carboxaldehyde

C8H5NOS (163.0092)


   

4-Chloro-3,5-difluoroaniline

4-Chloro-3,5-difluoroaniline

C6H4ClF2N (163)


   

2,2,3,3,3-Pentafluoropropanamide

2,2,3,3,3-Pentafluoropropanamide

C3H2F5NO (163.0057)


   

triphosphorus pentanitride

triphosphorus pentanitride

N5P3 (162.9367)


   

5,6-Dichloro-3-pyridinol

5,6-Dichloro-3-pyridinol

C5H3Cl2NO (162.9592)


   

5,6-Dichloropyridazin-4-amine

5,6-Dichloropyridazin-4-amine

C4H3Cl2N3 (162.9704)


   

2-Chloropyridine-3,5-dicarbonitrile

2-Chloropyridine-3,5-dicarbonitrile

C7H2ClN3 (162.9937)


   

4,6-Dichloro-5-pyrimidinamine

4,6-Dichloro-5-pyrimidinamine

C4H3Cl2N3 (162.9704)


   

3-Chloromethylpyridinehydrochloride

3-Chloromethylpyridinehydrochloride

C6H7Cl2N (162.9956)


   

3,5-Dichloropyridazin-4-amine

3,5-Dichloropyridazin-4-amine

C4H3Cl2N3 (162.9704)


   

2-Chloro-5-(difluoromethyl)pyridine

2-Chloro-5-(difluoromethyl)pyridine

C6H4ClF2N (163)


   

2-Chloro-4,5-difluoroaniline

2-Chloro-4,5-difluoroaniline

C6H4ClF2N (163)


   

N-Methyltrifluoromethanesulfonamide

N-Methyltrifluoromethanesulfonamide

C2H4F3NO2S (162.9915)


   

Pyridine,3,5-dichloro-, 1-oxide

Pyridine,3,5-dichloro-, 1-oxide

C5H3Cl2NO (162.9592)


   

3,4-Dichloroaniline-d2

3,4-Dichloroaniline-d2

C6H3Cl2D2N (162.9925)


   

2-CHLORO-3-NITROTHIOPHENE

2-CHLORO-3-NITROTHIOPHENE

C4H2ClNO2S (162.9495)


   

2,3-Dichloropyridine 1-oxide

2,3-Dichloropyridine 1-oxide

C5H3Cl2NO (162.9592)


   

4,6-Dichloropyridin-3-ol

4,6-Dichloropyridin-3-ol

C5H3Cl2NO (162.9592)


   

N,N-dihydroxy-L-aspartate

N,N-dihydroxy-L-aspartate

C4H5NO6-2 (163.0117)


   

(2S)-2-Nitrobutanedioic acid

(2S)-2-Nitrobutanedioic acid

C4H5NO6 (163.0117)


   

(2S)-2-Nitrobutanedioate

(2S)-2-Nitrobutanedioate

C4H5NO6 (163.0117)


   

Thioxothiazolidinecarboxylic acid

Thioxothiazolidinecarboxylic acid

C4H5NO2S2 (162.9762)


   

2-sulfanyl-4,5-dihydro-1,3-thiazole-4-carboxylic acid

2-sulfanyl-4,5-dihydro-1,3-thiazole-4-carboxylic acid

C4H5NO2S2 (162.9762)


   

2-(prop-2-en-1-yldisulfanyl)ethanimidic acid

2-(prop-2-en-1-yldisulfanyl)ethanimidic acid

C5H9NOS2 (163.0126)