Exact Mass: 163.0177372

Exact Mass Matches: 163.0177372

Found 105 metabolites which its exact mass value is equals to given mass value 163.0177372, 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 (163.009184)


   

3-Methylsulfinylpropyl isothiocyanate

ISOTHIOCYANIC ACID, 3-(METHYLSULFINYL)PROPYL ESTER

C5H9NOS2 (163.0125544)


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 Iberin is an isothiocyanate that is 1-isothiocyanatopropane in which a hydrogen at position 3 has been replaced by a methylsulfinyl group.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 An isothiocyanate that is 1-isothiocyanatopropane in which a hydrogen at position 3 has been replaced by a methylsulfinyl group.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

   

2-Chloroquinoline

2-Chloroquinoline

C9H6ClN (163.0188746)


   

3-Methylsulfinyl propyl isothiocyanate

(S)-3-(Methylsulfinyl)propyl isothiocyanate

C5H9NOS2 (163.0125544)


   

2-Hydroxy-5-trifluoromethylpyridine

2-Hydroxy-5-trifluoromethylpyridine

C6H4F3NO (163.02449699999997)


   

7-Carbamoyl-hept-2t-en-4,6-diinsaeure|7-carbamoyl-hept-2t-ene-4,6-diynoic acid|Hexen-1trans-diin-3,5-dicarbonsaeure-1,6-monoamid-6

7-Carbamoyl-hept-2t-en-4,6-diinsaeure|7-carbamoyl-hept-2t-ene-4,6-diynoic acid|Hexen-1trans-diin-3,5-dicarbonsaeure-1,6-monoamid-6

C8H5NO3 (163.02694200000002)


   

(E)-beta-chloro-alpha-phenylacrylonitrile|3-Chlor-2-phenyl-propennitril, cis|3-chloro-2-phenylacrylonitrile|3trans-Chlor-2-phenyl-acrylsaeurenitril|cis-3-Chlor-2-phenyl-propennitril|cis-beta-Chlor-alpha-phenyl-acrylnitril|E-2-Phenyl-3-chloracrylnitril

(E)-beta-chloro-alpha-phenylacrylonitrile|3-Chlor-2-phenyl-propennitril, cis|3-chloro-2-phenylacrylonitrile|3trans-Chlor-2-phenyl-acrylsaeurenitril|cis-3-Chlor-2-phenyl-propennitril|cis-beta-Chlor-alpha-phenyl-acrylnitril|E-2-Phenyl-3-chloracrylnitril

C9H6ClN (163.0188746)


   

Isatoic anhydride

2H-3,1-Benzoxazine-2,4(1H)-dione

C8H5NO3 (163.02694200000002)


CONFIDENCE standard compound; INTERNAL_ID 1142; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3042; ORIGINAL_PRECURSOR_SCAN_NO 3041 D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D065093 - beta-Lactamase Inhibitors D004791 - Enzyme Inhibitors ORIGINAL_PRECURSOR_SCAN_NO 3022; CONFIDENCE standard compound; INTERNAL_ID 1142; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3023 CONFIDENCE standard compound; INTERNAL_ID 1142; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3023; ORIGINAL_PRECURSOR_SCAN_NO 3022 CONFIDENCE standard compound; INTERNAL_ID 1142; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2968; ORIGINAL_PRECURSOR_SCAN_NO 2966 CONFIDENCE standard compound; INTERNAL_ID 1142; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3033; ORIGINAL_PRECURSOR_SCAN_NO 3032 CONFIDENCE standard compound; INTERNAL_ID 1142; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3044; ORIGINAL_PRECURSOR_SCAN_NO 3043

   

3-Methylsulfinylpropyl isothiocyanate

1-isothiocyanato-3-(methylsulfinyl)propane

C5H9NOS2 (163.0125544)


   

5-Hydroxyisoindoline-1,3-dione

5-Hydroxyisoindoline-1,3-dione

C8H5NO3 (163.02694200000002)


   

1,3-Benzothiazole-6-carbaldehyde

1,3-Benzothiazole-6-carbaldehyde

C8H5NOS (163.009184)


   

3-Chloroquinoline

3-Chloroquinoline

C9H6ClN (163.0188746)


   

2-(4-1,2,3-THIADIAZOLYL)PYRIDINE

2-(4-1,2,3-THIADIAZOLYL)PYRIDINE

C7H5N3S (163.020417)


   

Carsalam

Carsalam

C8H5NO3 (163.02694200000002)


C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic

   

3-Cyano-4-hydroxybenzoic acid

3-Cyano-4-hydroxybenzoic acid

C8H5NO3 (163.02694200000002)


   

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

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

C5H9NOS2 (163.0125544)


   

6-(Trifluoromethyl)pyridin-3-ol

6-(Trifluoromethyl)pyridin-3-ol

C6H4F3NO (163.02449699999997)


   

Benzo[d]thiazole-5-carbaldehyde

Benzo[d]thiazole-5-carbaldehyde

C8H5NOS (163.009184)


   

4-(Trifluoromethyl)-3-pyridinol

4-(Trifluoromethyl)-3-pyridinol

C6H4F3NO (163.02449699999997)


   

FURO[2,3-C]PYRIDINE-2-CARBOXYLIC ACID

FURO[2,3-C]PYRIDINE-2-CARBOXYLIC ACID

C8H5NO3 (163.02694200000002)


   
   

3-Chloroisoquinoline

3-Chloroisoquinoline

C9H6ClN (163.0188746)


   

4-Chloroisoquinoline

4-Chloroisoquinoline

C9H6ClN (163.0188746)


   

2-Hydroxy-3-trifluoromethylpyridine

2-Hydroxy-3-trifluoromethylpyridine

C6H4F3NO (163.02449699999997)


   

3-(4-1,2,3-THIADIAZOLYL)PYRIDINE

3-(4-1,2,3-THIADIAZOLYL)PYRIDINE

C7H5N3S (163.020417)


   

4-(1,2,3-THIADIAZOL-4-YL)PYRIDINE

4-(1,2,3-THIADIAZOL-4-YL)PYRIDINE

C7H5N3S (163.020417)


   

5-(2-FURYL)ISOXAZOLE-3-CARBALDEHYDE

5-(2-FURYL)ISOXAZOLE-3-CARBALDEHYDE

C8H5NO3 (163.02694200000002)


   
   

7-Chloroisoquinoline

7-Chloroisoquinoline

C9H6ClN (163.0188746)


   

2-HYDROXY-5-(TRIFLUOROMETHYL)PYRIDINE

2-HYDROXY-5-(TRIFLUOROMETHYL)PYRIDINE

C6H4F3NO (163.02449699999997)


   

Benzo[d]oxazole-4-carboxylic acid

Benzo[d]oxazole-4-carboxylic acid

C8H5NO3 (163.02694200000002)


   

2-(Trifluoromethyl)pyridine 1-oxide

2-(Trifluoromethyl)pyridine 1-oxide

C6H4F3NO (163.02449699999997)


   

5-Chloroisoquinoline

5-Chloroisoquinoline

C9H6ClN (163.0188746)


   
   

1,3-Isobenzofurandione,4-amino-

1,3-Isobenzofurandione,4-amino-

C8H5NO3 (163.02694200000002)


   

2-amino-3,5-Dicyanoacetophenone

2-amino-3,5-Dicyanoacetophenone

C7H5N3S (163.020417)


   

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

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

C8H5NOS (163.009184)


   

Furo[3,2-b]pyridine-5-carboxylic acid

Furo[3,2-b]pyridine-5-carboxylic acid

C8H5NO3 (163.02694200000002)


   
   

N-Methyl-2-thiophenemethanamine hydrochloride

N-Methyl-2-thiophenemethanamine hydrochloride

C6H10ClNS (163.022245)


   

2-amino-6-chloro-4-pyrimidinol hydrate, 95

2-amino-6-chloro-4-pyrimidinol hydrate, 95

C4H6ClN3O2 (163.0148526)


   

phenyl N-(oxomethylidene)carbamate

phenyl N-(oxomethylidene)carbamate

C8H5NO3 (163.02694200000002)


   

2,1-Benzoxazole-3-carboxylic acid

2,1-Benzoxazole-3-carboxylic acid

C8H5NO3 (163.02694200000002)


   

BENZO[D]OXAZOLE-7-CARBOXYLIC ACID

BENZO[D]OXAZOLE-7-CARBOXYLIC ACID

C8H5NO3 (163.02694200000002)


   
   

Benzooxazole-2-carboxylic acid

Benzooxazole-2-carboxylic acid

C8H5NO3 (163.02694200000002)


   

1-Chloroisoquinoline

1-Chloroisoquinoline

C9H6ClN (163.0188746)


   

4-chlorocinnamonitrile

4-chlorocinnamonitrile

C9H6ClN (163.0188746)


   

Furo[3,2-b]pyridine-6-carboxylic acid

Furo[3,2-b]pyridine-6-carboxylic acid

C8H5NO3 (163.02694200000002)


   

2,3,6-Trifluoro-4-methoxypyridine

2,3,6-Trifluoro-4-methoxypyridine

C6H4F3NO (163.02449699999997)


   

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

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

C8H5NOS (163.009184)


   
   

Benzo[d]thiazole-7-carbaldehyde

Benzo[d]thiazole-7-carbaldehyde

C8H5NOS (163.009184)


   

Benzo[d]oxazole-6-carboxylic acid

Benzo[d]oxazole-6-carboxylic acid

C8H5NO3 (163.02694200000002)


   
   

8-Chloroisoquinoline

8-Chloroisoquinoline

C9H6ClN (163.0188746)


   

5-methyl-2-Thiophenemethanamine

5-methyl-2-Thiophenemethanamine

C6H10ClNS (163.022245)


   

Benzothiazole-2-carboxaldehyde

Benzothiazole-2-carboxaldehyde

C8H5NOS (163.009184)


   

2-(Trifluoromethyl)-4-pyridinol

2-(Trifluoromethyl)-4-pyridinol

C6H4F3NO (163.02449699999997)


   
   

Benzoxazole-5-carboxylic Acid

Benzoxazole-5-carboxylic Acid

C8H5NO3 (163.02694200000002)


   

3-Chloro-3-phenyl-acrylonitrile

3-Chloro-3-phenyl-acrylonitrile

C9H6ClN (163.0188746)


   

2-(Trifluoromethyl)-3-pyridinol

2-(Trifluoromethyl)-3-pyridinol

C6H4F3NO (163.02449699999997)


   

2-Chloro-3-phenylpropenenitrile

2-Chloro-3-phenylpropenenitrile

C9H6ClN (163.0188746)


   

2,1-Benzisoxazole-4-carboxylicacid(9CI)

2,1-Benzisoxazole-4-carboxylicacid(9CI)

C8H5NO3 (163.02694200000002)


   

2-[(3-CHLOROPROPYL)SULFANYL]PROPANENITRILE

2-[(3-CHLOROPROPYL)SULFANYL]PROPANENITRILE

C6H10ClNS (163.022245)


   

Sodium (Z)-1-cyano-3-ethoxy-3-oxoprop-1-en-2-olate

Sodium (Z)-1-cyano-3-ethoxy-3-oxoprop-1-en-2-olate

C6H6NNaO3 (163.0245366)


   

2-(Aminomethyl)-5-methylthiophene hydrochloride

(5-Methylthiophen-2-yl)methanamine hydrochloride

C6H10ClNS (163.022245)


   

Furo[3,2-c]pyridine-2-carboxylic acid

Furo[3,2-c]pyridine-2-carboxylic acid

C8H5NO3 (163.02694200000002)


   

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

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

C8H5NOS (163.009184)


   

3-(trifluoromethyl)pyridine 1-oxide

3-(trifluoromethyl)pyridine 1-oxide

C6H4F3NO (163.02449699999997)


   

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

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

C8H5NOS (163.009184)


   

1,2-benzoxazole-3-carboxylic acid

1,2-benzoxazole-3-carboxylic acid

C8H5NO3 (163.02694200000002)


   

6-Chloroquinoline

6-Chloroquinoline

C9H6ClN (163.0188746)


   

6-Chloroisoquinoline

6-Chloroisoquinoline

C9H6ClN (163.0188746)


   

4-cyano-2-hydroxybenzoic acid

4-cyano-2-hydroxybenzoic acid

C8H5NO3 (163.02694200000002)


   

4-AMino-2-fluorophenolHydrochloride

4-AMino-2-fluorophenolHydrochloride

C6H7ClFNO (163.0200174)


   
   

7-Chloroquinoline

7-Chloroquinoline

C9H6ClN (163.0188746)


   

5-Chloroquinoline

5-Chloroquinoline

C9H6ClN (163.0188746)


   
   

Furo[2,3-c]pyridine-5-carboxylic acid

Furo[2,3-c]pyridine-5-carboxylic acid

C8H5NO3 (163.02694200000002)


   

4-Chloroquinoline

4-Chloroquinoline

C9H6ClN (163.0188746)


   

3-Fluoro-2-methoxypyridine hydrochloride

3-Fluoro-2-methoxypyridine hydrochloride

C6H7ClFNO (163.0200174)


   

1-(Difluoromethyl)-4-nitro-1H-pyrazole

1-(Difluoromethyl)-4-nitro-1H-pyrazole

C4H3F2N3O2 (163.0193322)


   

8-Chloroquinoline

8-Chloroquinoline

C9H6ClN (163.0188746)


   

3,4-(Methylenedioxy)phenyl isocyanate

3,4-(Methylenedioxy)phenyl isocyanate

C8H5NO3 (163.02694200000002)


   

4-AMINO-3-FLUOROPHENOL HYDROCHLORIDE

4-AMINO-3-FLUOROPHENOL HYDROCHLORIDE

C6H7ClFNO (163.0200174)


   

2-Hydroxy-4-(trifluoromethyl)pyridine

2-Hydroxy-4-(trifluoromethyl)pyridine

C6H4F3NO (163.02449699999997)


   

2,2,2-trifluoro-1-(1H-pyrrol-3-yl)ethanone

2,2,2-trifluoro-1-(1H-pyrrol-3-yl)ethanone

C6H4F3NO (163.02449699999997)


   

5-(Trifluoromethyl)-3-pyridinol

5-(Trifluoromethyl)-3-pyridinol

C6H4F3NO (163.02449699999997)


   

2-fluoro-6-difluoromethoxy pyridine

2-fluoro-6-difluoromethoxy pyridine

C6H4F3NO (163.02449699999997)


   

Aluminum subacetate

Aluminum subacetate

C4H8AlO5 (163.0187128)


   

3-Oxoisoapionate

3-Oxoisoapionate

C5H7O6- (163.0242622)


   

aldehydo-L-arabinuronate

aldehydo-L-arabinuronate

C5H7O6- (163.0242622)


   

N,N-dihydroxy-L-aspartate

N,N-dihydroxy-L-aspartate

C4H5NO6-2 (163.011687)


   

2-Dehydro-D-xylonate

2-Dehydro-D-xylonate

C5H7O6- (163.0242622)


   

N-carbamoyl-L-cysteinate(1-)

N-carbamoyl-L-cysteinate(1-)

C4H7N2O3S- (163.0177372)


The L-alpha-amino acid anion that is the anion formed by loss of a proton from the carboxy group of N-carbamoyl-L-cysteine; major species present at pH 7.3.

   

(2R)-2,4-dihydroxy-2-(hydroxymethyl)-3-oxobutanoate

(2R)-2,4-dihydroxy-2-(hydroxymethyl)-3-oxobutanoate

C5H7O6- (163.0242622)


   

(2S)-2-Nitrobutanedioic acid

(2S)-2-Nitrobutanedioic acid

C4H5NO6 (163.011687)


   

(2S)-2-Nitrobutanedioate

(2S)-2-Nitrobutanedioate

C4H5NO6 (163.011687)


   

(2e)-7-(c-hydroxycarbonimidoyl)hept-2-en-4,6-diynoic acid

(2e)-7-(c-hydroxycarbonimidoyl)hept-2-en-4,6-diynoic acid

C8H5NO3 (163.02694200000002)


   

1-hydroxy-1,2-bis(prop-1-en-1-yl)disulfanium

1-hydroxy-1,2-bis(prop-1-en-1-yl)disulfanium

[C6H11OS2]+ (163.0251296)


   

7-(c-hydroxycarbonimidoyl)hept-2-en-4,6-diynoic acid

7-(c-hydroxycarbonimidoyl)hept-2-en-4,6-diynoic acid

C8H5NO3 (163.02694200000002)


   

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

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

C5H9NOS2 (163.0125544)