Exact Mass: 163.0035

Exact Mass Matches: 163.0035

Found 55 metabolites which its exact mass value is equals to given mass value 163.0035, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

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 Iberin is an isothiocyanate that is 1-isothiocyanatopropane in which a hydrogen at position 3 has been replaced by a methylsulfinyl group.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 An isothiocyanate that is 1-isothiocyanatopropane in which a hydrogen at position 3 has been replaced by a methylsulfinyl group.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]

   

3-Methylsulfinyl propyl isothiocyanate

(S)-3-(Methylsulfinyl)propyl isothiocyanate

C5H9NOS2 (163.0126)


   

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)


   

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)


   

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-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)


   

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)


   

2-(bromomethyl)pyrrolidine

2-(bromomethyl)pyrrolidine

C5H10BrN (162.9997)


   

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

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

C7H3Cl2D3 (163.0035)


   

4-Chloro-3-picoline HCl

4-Chloro-3-picoline HCl

C6H7Cl2N (162.9956)


   

4-chloro-2-picoline hcl

4-chloro-2-picoline hcl

C6H7Cl2N (162.9956)


   

Ammonium hexafluorophosphate

Ammonium hexafluorophosphate

H4F6NP (162.9986)


   

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)


   

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)


   

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-Picolyl chloride hydrochloride

4-Picolyl chloride hydrochloride

C6H7Cl2N (162.9956)


   

Benzo[d]thiazole-7-carbaldehyde

Benzo[d]thiazole-7-carbaldehyde

C8H5NOS (163.0092)


   

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

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

C5H10BrN (162.9997)


   

2-Thiazolecarboxamidine Hydrochloride

2-Thiazolecarboxamidine Hydrochloride

C4H6ClN3S (162.9971)


   

Benzothiazole-2-carboxaldehyde

Benzothiazole-2-carboxaldehyde

C8H5NOS (163.0092)


   

Sulfamide, 3-isoxazolyl- (9CI)

Sulfamide, 3-isoxazolyl- (9CI)

C3H5N3O3S (163.0052)


   

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)


   

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

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

C8H5NOS (163.0092)


   

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)


   

2-Chloropyridine-3,5-dicarbonitrile

2-Chloropyridine-3,5-dicarbonitrile

C7H2ClN3 (162.9937)


   

3-Chloromethylpyridinehydrochloride

3-Chloromethylpyridinehydrochloride

C6H7Cl2N (162.9956)


   

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,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)


   

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

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

C5H9NOS2 (163.0126)