Exact Mass: 149.962886

Exact Mass Matches: 149.962886

Found 141 metabolites which its exact mass value is equals to given mass value 149.962886, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Asparagusic acid

5-19-07-00224 (Beilstein Handbook Reference)

C4H6O2S2 (149.9809216)


Asparagusic acid is a sulfur-containing carboxylic acid, a dithiolanecarboxylic acid and a member of dithiolanes. It is a conjugate acid of an asparagusate. It derives from a hydride of a 1,2-dithiolane. Asparagusic acid is a natural product found in Asparagus officinalis with data available. Asparagusic acid is found in asparagus. Asparagusic acid is isolated from asparagus (Asparagus officinalis Isolated from asparagus (Asparagus officinalis) [DFC] Asparagusic acid is a sulfur-containing flavor component produced by Asparagus officinalis Linn., with anti-parasitic effect. Asparagusic acid is a plant growth inhibitor[1][2][3].

   

Thiodiacetic acid

2-[(carboxymethyl)sulfanyl]acetic acid

C4H6O4S (149.9986796)


Thiodiacetic acid belongs to the family of Thiodiacetic Acid Derivatives. These are compounds containing a thiodiacetic acid group (or esters/salts thereof) which is made up of two 2-sulfanylacetic (OC(=O)CS) acid moieties sharing their sulfur atom.

   

(2R)-2-(2-Hydroxyhydrazinyl)-3-sulfanylidenepropanoic acid

(2R)-2-(2-Hydroxyhydrazinyl)-3-sulphanylidenepropanoic acid

C3H6N2O3S (150.0099126)


   

(S)-(-)-2-Acetoxypropionyl chloride

(S)-(-)-2-Acetoxypropionyl chloride

C5H7ClO3 (150.0083702)


   
   

2,5-Dimercapto-1,3,4-thiadiazole

2,5-dimercapto-1,3,4-Thiadiazole, dipotassium salt

C2H2N2S3 (149.9380132)


   

2,2,3,3,3-Pentafluoro-1-propanol

2,2,3,3,3-pentafluoropropan-1-ol

C3H3F5O (150.01040479999998)


   

Acetyloxysulfanyl acetate

Acetyloxysulphanyl acetic acid

C4H6O4S (149.9986796)


   

Hexafluoropropene

hexafluoroprop-1-ene

C3F6 (149.9904192)


   

Mercaptosuccinic acid

alpha-Mercaptosuccinic acid

C4H6O4S (149.9986796)


   

2-Amino-3-nitrososulfanylpropanoic acid

2-Amino-3-(nitrososulphanyl)propanoic acid

C3H6N2O3S (150.0099126)


   

Pentafluoropropanol

1,1,2,2,3-pentafluoropropan-1-ol

C3H3F5O (150.01040479999998)


   

Ccc(C(O)=O)P(=O)=O

2-phosphobutanoic acid

C4H7O4P (150.0081952)


   

Potassium sorbate

Potassium trans,trans-2,4-hexadienoic acid

C6H7KO2 (150.0083102)


Mould inhibitor, preservative for cheese, fruit preserves, baked goods, wine and other foodstuffsand is) also for paper and board food packaging materials. Flavouring ingredient Potassium sorbate (Sorbic acid potassium) is a highly efficient, and nonpoisonous?food preservatives.?Potassium sorbate generally is an effective inhibitor of most molds and yeasts and some bacteria[1].

   

Bismuththiol

2,5-Dimercapto-1,3,4-thiadiazole

C2H2N2S3 (149.9380132)


   

2-acetoxypropionyl chloride

2-acetoxypropionyl chloride

C5H7ClO3 (150.0083702)


   

Potassium_sorbate

2,4-Hexadienoic acid, (E,E)-, potassium salt; 2,4-Hexadienoic acid, potassium salt

C6H7O2K (150.00831019999998)


Potassium sorbate is a potassium salt having sorbate as the counterion. It has a role as an antimicrobial food preservative. It contains an (E,E)-sorbate. Mold and yeast inhibitor. Used as a fungistatic agent for foods, especially cheeses. D000074385 - Food Ingredients > D005503 - Food Additives > D005520 - Food Preservatives Potassium sorbate (Sorbic acid potassium) is a highly efficient, and nonpoisonous?food preservatives.?Potassium sorbate generally is an effective inhibitor of most molds and yeasts and some bacteria[1].

   

Trifluoromethanesulfonic acid

Trifluoromethanesulfonic acid

CHF3O3S (149.9598512)


CONFIDENCE standard compound; INTERNAL_ID 1245; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 985; ORIGINAL_PRECURSOR_SCAN_NO 984 CONFIDENCE standard compound; INTERNAL_ID 1245; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 980; ORIGINAL_PRECURSOR_SCAN_NO 976 CONFIDENCE standard compound; INTERNAL_ID 1245; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 990; ORIGINAL_PRECURSOR_SCAN_NO 989 CONFIDENCE standard compound; INTERNAL_ID 1245; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 989; ORIGINAL_PRECURSOR_SCAN_NO 988 CONFIDENCE standard compound; INTERNAL_ID 1245; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 971; ORIGINAL_PRECURSOR_SCAN_NO 968 CONFIDENCE standard compound; INTERNAL_ID 1245; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 987; ORIGINAL_PRECURSOR_SCAN_NO 983

   

Potassium Sorbate

Potassium Sorbate

C6H7KO2 (150.0083102)


D000074385 - Food Ingredients > D005503 - Food Additives > D005520 - Food Preservatives Potassium sorbate (Sorbic acid potassium) is a highly efficient, and nonpoisonous?food preservatives.?Potassium sorbate generally is an effective inhibitor of most molds and yeasts and some bacteria[1].

   

Trimsylate

Methanesulfonic acid, trifluoro- (6CI,7CI,8CI,9CI)

CHF3O3S (149.9598512)


   

3-bromo-2E-acrylic acid

3-bromo-2E-propenoic acid

C3H3BrO2 (149.9316398)


   

3-Methyl-1,2-thiazol-5-amine hydrochloride (1:1)

3-Methyl-1,2-thiazol-5-amine hydrochloride (1:1)

C4H7ClN2S (150.0018452)


   

Ethylmalonoyl dichloride

Ethylmalonoyl dichloride

C5H7ClO3 (150.0083702)


   

N-Methylthiazol-2-amine hydrochloride

N-Methylthiazol-2-amine hydrochloride

C4H7ClN2S (150.0018452)


   
   
   

2-Thiazolamine,4-methyl-, hydrochloride

2-Thiazolamine,4-methyl-, hydrochloride

C4H7ClN2S (150.0018452)


   

Sodium 5-methyl-1,3,4-oxadiazole-2-carboxylate

Sodium 5-methyl-1,3,4-oxadiazole-2-carboxylate

C4H3N2NaO3 (150.0041368)


   

3-Chloro-4-methoxy-1,2,5-thiadiazole

3-Chloro-4-methoxy-1,2,5-thiadiazole

C3H3ClN2OS (149.9654618)


   
   

m-tolylmagnesium chloride

m-tolylmagnesium chloride

C7H7ClMg (150.0086752)


   

Ethyl (chloroformyl)acetate

Ethyl (chloroformyl)acetate

C5H7ClO3 (150.0083702)


   

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

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

C3H3ClN2OS (149.9654618)


   

Cyclopentasilane

Cyclopentasilane

H10Si5 (149.962886)


   

RAC-TRANS-5-HYDROXY-1,3-OXATHIOLANE-2-CARBOXYLIC ACID

RAC-TRANS-5-HYDROXY-1,3-OXATHIOLANE-2-CARBOXYLIC ACID

C4H6O4S (149.9986796)


   

(R)-4-CHLOROPHENYLGLYCINE

(R)-4-CHLOROPHENYLGLYCINE

C4H7ClN2S (150.0018452)


   

(S)-4-BENZYL-1,3-OXAZOLIDINE-2-THIONE

(S)-4-BENZYL-1,3-OXAZOLIDINE-2-THIONE

C4H7BrO (149.9680232)


   

2-Bromo-3-buten-1-ol

2-Bromo-3-buten-1-ol

C4H7BrO (149.9680232)


   

1-Bromo-2-butanone

1-Bromo-2-butanone

C4H7BrO (149.9680232)


   
   

2-Bromomalonaldehyde

2-Bromomalonaldehyde

C3H3BrO2 (149.9316398)


   

o-tolylmagnesium chloride

o-tolylmagnesium chloride

C7H7ClMg (150.0086752)


   

4-Tolylmagnesium chloride

4-Tolylmagnesium chloride

C7H7ClMg (150.0086752)


   

(S)-2-Mercaptosuccinic acid

(S)-2-Mercaptosuccinic acid

C4H6O4S (149.9986796)


   
   

3-Bromo-2-butanone

3-Bromo-2-butanone

C4H7BrO (149.9680232)


   

(Thiazol-5-yl)methanamine hydrochloride

(Thiazol-5-yl)methanamine hydrochloride

C4H7ClN2S (150.0018452)


   
   
   

Potassium Methyl Sulfate

Potassium Methyl Sulfate

CH3KO4S (149.9389138)


   

2-bromo-2-methylpropanal

2-bromo-2-methylpropanal

C4H7BrO (149.9680232)


   

(E)-1-PHENYL-HEPT-3-EN-1-ONE

(E)-1-PHENYL-HEPT-3-EN-1-ONE

C4H7BrO (149.9680232)


   

1,2-epoxy-4-bromobutane

1,2-epoxy-4-bromobutane

C4H7BrO (149.9680232)


   

5-Chloro-2,4-difluoropyrimidine

5-Chloro-2,4-difluoropyrimidine

C4HClF2N2 (149.979632)


   
   
   

4-CHLOROPYRIDAZINE HYDROCHLORIDE

4-CHLOROPYRIDAZINE HYDROCHLORIDE

C4H4Cl2N2 (149.9751524)


   

trifluoromethanesulfonic acid-d

trifluoromethanesulfonic acid-d

CHF3O3S (149.9598512)


   

2-BROMOACRYLIC ACID

2-BROMOACRYLIC ACID

C3H3BrO2 (149.9316398)


   

Methyl 4-chloro-4-oxobutanoate

Methyl 4-chloro-4-oxobutanoate

C5H7ClO3 (150.0083702)


   

(1R)-2-Chloro-2-oxo-1-phenylethyl acetate

(1R)-2-Chloro-2-oxo-1-phenylethyl acetate

C5H7ClO3 (150.0083702)


   

C-Thiazol-4-Yl-Methylamine Hydrochloride

C-Thiazol-4-Yl-Methylamine Hydrochloride

C4H7ClN2S (150.0018452)


   

1,2-Dithiolane-3-carboxylicacid

1,2-Dithiolane-3-carboxylicacid

C4H6O2S2 (149.9809216)


   
   

4-(Difluoromethyl)-1,3-thiazol-2-amine

4-(Difluoromethyl)-1,3-thiazol-2-amine

C4H4F2N2S (150.0063248)


   

5-chloro-4,6-difluoropyrimidine

5-chloro-4,6-difluoropyrimidine

C4HClF2N2 (149.979632)


   

Sodium dichloroacetate

Sodium dichloroacetate

C2HCl2NaO2 (149.92513060000002)


C274 - Antineoplastic Agent > C129839 - Apoptotic Pathway-targeting Antineoplastic Agent C471 - Enzyme Inhibitor

   

4-chloropyrimidine,hydrochloride

4-chloropyrimidine,hydrochloride

C4H4Cl2N2 (149.9751524)


   

1,1-Dichloro-4-methyl-1,3-pentadiene

1,1-Dichloro-4-methyl-1,3-pentadiene

C6H8Cl2 (150.0003028)


   

3-chloropyridazine hydrochloride

3-chloropyridazine hydrochloride

C4H4Cl2N2 (149.9751524)


   
   

3-bromo-2-methoxyprop-1-ene

3-bromo-2-methoxyprop-1-ene

C4H7BrO (149.9680232)


   
   

BUTYRYL BROMIDE

BUTYRYL BROMIDE

C4H7BrO (149.9680232)


   
   

ISOBUTYRYL BROMIDE

ISOBUTYRYL BROMIDE

C4H7BrO (149.9680232)


   

2,2-DIFLUOROETHYL TRIFLUOROMETHYL ETHER

2,2-DIFLUOROETHYL TRIFLUOROMETHYL ETHER

C3H3F5O (150.01040479999998)


   

3-Bromotetrahydrofuran

3-Bromotetrahydrofuran

C4H7BrO (149.9680232)


   

1-Acetoxy-3-chloroacetone

1-Acetoxy-3-chloroacetone

C5H7ClO3 (150.0083702)


   
   

4,5-dichloro-1-methylimidazole

4,5-dichloro-1-methylimidazole

C4H4Cl2N2 (149.9751524)


   

1,3-OXATHIOLANE-2-CARBOXYLIC ACID, 5-HYDROXY-

1,3-OXATHIOLANE-2-CARBOXYLIC ACID, 5-HYDROXY-

C4H6O4S (149.9986796)


   

3,4-Dichlorocyclobutene-1,2-dione

3,4-Dichlorocyclobutene-1,2-dione

C4Cl2O2 (149.927536)


   

2-Amino Methylthiazole Hydrochloride

2-Amino Methylthiazole Hydrochloride

C4H7ClN2S (150.0018452)


   

3-Thietanecarboxylic acid 1,1-dioxide

3-Thietanecarboxylic acid 1,1-dioxide

C4H6O4S (149.9986796)


   

3,6-Dichloro-1,2,4,5-tetrazine

3,6-Dichloro-1,2,4,5-tetrazine

C2Cl2N4 (149.950002)


   

Furo(3,4-b)pyrazine-5,7-dione

Furo(3,4-b)pyrazine-5,7-dione

C6H2N2O3 (150.0065422)


   

1,2-dihydropyridazine-3,6-dione, potassium salt

1,2-dihydropyridazine-3,6-dione, potassium salt

C4H3KN2O2 (149.9831598)


   

3-chloro-1,1,1,3-tetrafluoropropane

3-chloro-1,1,1,3-tetrafluoropropane

C3H3ClF4 (149.9859396)


   

difluoromethyl 2,2,2-trifluoroethyl ether

difluoromethyl 2,2,2-trifluoroethyl ether

C3H3F5O (150.01040479999998)


   

Bicyclo[3.1.0]hexane,6,6-dichloro-

Bicyclo[3.1.0]hexane,6,6-dichloro-

C6H8Cl2 (150.0003028)


   
   

2-Chloropyrimidinehydrochloride

2-Chloropyrimidinehydrochloride

C4H4Cl2N2 (149.9751524)


   
   

Nickel nitrite

Nickel nitrite

N2NiO4 (149.921155)


   

(Z)-2-FORMYLAMINO-3-PHENYL-ACRYLICACIDMETHYLESTER

(Z)-2-FORMYLAMINO-3-PHENYL-ACRYLICACIDMETHYLESTER

C3H3BrO2 (149.9316398)


   

2-bromomethyl-oxetane

2-bromomethyl-oxetane

C4H7BrO (149.9680232)


   

chloromethyl trifluoromethyl sulfide

chloromethyl trifluoromethyl sulfide

C2H2ClF3S (149.9517838)


   

Methyl 2-chloroacetoacetate

Methyl 2-chloroacetoacetate

C5H7ClO3 (150.0083702)


   

2,2,3,3,3-Pentafluoro-1-propanol

2,2,3,3,3-Pentafluoro-1-propanol

C3H3F5O (150.01040479999998)


   
   

3-Pyridinecarboxamide,4-methyl-

3-Pyridinecarboxamide,4-methyl-

C5H11Br (150.00440659999998)


   

cis-1-bromo-2-ethoxyethylene

cis-1-bromo-2-ethoxyethylene

C4H7BrO (149.9680232)


   
   

trifluoromethylphosphonic acid

trifluoromethylphosphonic acid

CH2F3O3P (149.9693668)


   

1H-Imidazole,4,5-dichloro-2-methyl-

1H-Imidazole,4,5-dichloro-2-methyl-

C4H4Cl2N2 (149.9751524)


   

sodium,ethanesulfonate,hydrate

sodium,ethanesulfonate,hydrate

C2H7NaO4S (149.9962742)


   
   

3-Bromo-3-buten-1-ol

3-Bromo-3-buten-1-ol

C4H7BrO (149.9680232)


   

Benzylmagnesium chloride

Benzylmagnesium chloride

C7H7ClMg (150.0086752)


   
   
   

Pyrrole-1-propionic Acid

Pyrrole-1-propionic Acid

C5H7ClO3 (150.0083702)


   

3-Methylphosphinicopropionic Acid

3-Methylphosphinicopropionic Acid

C4H7O4P (150.0081952)


   

(R)-4-BENZYL-1,3-OXAZOLIDINE-2-THIONE

(R)-4-BENZYL-1,3-OXAZOLIDINE-2-THIONE

C4H7BrO (149.9680232)


   

2-Propen-1-ol,3-bromo-2-methyl-

2-Propen-1-ol,3-bromo-2-methyl-

C4H7BrO (149.9680232)


   
   
   
   

4,5-dihydro-1h-imidazole-2-sulfonic acid

4,5-dihydro-1h-imidazole-2-sulfonic acid

C3H6N2O3S (150.0099126)


   

5-Chloro-4-oxopentanoic acid

Pentanoic acid,5-chloro-4-oxo-

C5H7ClO3 (150.0083702)


   
   

1-chloro-2,2,3,3-tetrafluoropropane

1-chloro-2,2,3,3-tetrafluoropropane

C3H3ClF4 (149.9859396)


   

3-BROMO-PROPIONAMIDINE

3-BROMO-PROPIONAMIDINE

C3H7BrN2 (149.9792562)


   

Disulfidodicarbamidine

Disulfidodicarbamidine

C2H6N4S2 (150.0033876)


   
   

S-Nitrosocysteine

S-Nitrosocysteine

C3H6N2O3S (150.0099126)


D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors > D026403 - S-Nitrosothiols D002317 - Cardiovascular Agents > D020030 - Nitric Oxide Donors D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents

   

(2R)-2-sulfanylbutanedioic acid

(2R)-2-sulfanylbutanedioic acid

C4H6O4S (149.9986796)


   

(E)-3-Bromoacrylic Acid

(E)-3-Bromoacrylic Acid

C3H3BrO2 (149.9316398)


   
   

Thiomalic acid

Mercaptosuccinic acid

C4H6O4S (149.9986796)


   

beta-Sulfinylpyruvate

beta-Sulfinylpyruvate

C3H2O5S-2 (149.9622962)


   
   
   
   

2,4-Hexadienoic acid, potassium salt (1:1), (2E,4E)-

2,4-Hexadienoic acid, potassium salt (1:1), (2E,4E)-

C6H7KO2 (150.0083102)


   
   

Potassium tetraethynylborate

Potassium tetraethynylborate

C8H4BK (150.0043114)


   

3-sulfinatopyruvate(2-)

3-sulfinatopyruvate(2-)

C3H2O5S (149.9622962)


A 2-oxo monocarboxylic acid anion obtained by deprotonation of the carboxy and sulfino groups of 3-sulfinylpyruvic acid. Major microspecies at pH 7.3.

   

thiodiacetic acid

Thiodiglycolic acid

C4H6O4S (149.9986796)


   

1,2-dithiolane-4-carboxylic acid,9ci

NA

C4H6O2S2 (149.9809216)


{"Ingredient_id": "HBIN000838","Ingredient_name": "1,2-dithiolane-4-carboxylic acid,9ci","Alias": "NA","Ingredient_formula": "C4H6O2S2","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "2224/2/4","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9580","PubChem_id": "NA","DrugBank_id": "NA"}