Exact Mass: 135.9595

Exact Mass Matches: 135.9595

Found 90 metabolites which its exact mass value is equals to given mass value 135.9595, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Calcium sulfate

Calcium sulfate (1:1), hemihydrate

CaSO4 (135.9143)


It is used in foods as an anticaking agent, colouring adjunct, dough strengthener, drying agent, firming agent, formulation aid, leavening agent, nutrient supplement, pH control agent, processing aid, stabiliser, thickener, synergist and texturiser; also used as an additive in the bleaching of flour by benzoyl peroxide. Calcium sulfate is a common component of fouling deposits in industrial heat exchangers. It is because its solubility decreases with increasing temperature in hot water (see the figure).; Calcium sulfate is a common laboratory and industrial chemical. In the form of ?-anhydrite (the nearly anhydrous form), it is used as a desiccant. It is also used as a coagulant in products like tofu. In the natural state, unrefined calcium sulfate is a translucent, crystalline white rock. When sold as a color-indicating variant under the name Drierite, it appears blue or pink due to impregnation with cobalt chloride, which functions as a moisture indicator. The hemihydrate (CaSO4.~0.5H2O) is better known as plaster of Paris, while the dihydrate (CaSO4.2H2O) occurs naturally as gypsum. The anhydrous form occurs naturally as ?-anhydrite. Depending on the method of calcination of calcium sulfate dihydrate, specific hemihydrates are sometimes distinguished: alpha-hemihydrate and beta-hemihydrate. They appear to differ only in crystal size. Alpha-hemihydrate crystals are more prismatic than beta-hemihydrate crystals and, when mixed with water, form a much stronger and harder superstructure. It is used in foods as an anticaking agent, colouring adjunct, dough strengthener, drying agent, firming agent, formulation aid, leavening agent, nutrient supplement, pH control agent, processing aid, stabiliser, thickener, synergist and texturiser; also used as an additive in the bleaching of flour by benzoyl peroxide Same as: D09201

   
   

(Z)-S-1-Propenyl methanesulfinothioate

Methanesulfinothioic acid, S-1-propenyl ester

C4H8OS2 (136.0017)


(Z)-S-1-Propenyl methanesulfinothioate is found in onion-family vegetables. (Z)-S-1-Propenyl methanesulfinothioate is a constituent of onion (Allium cepa), garlic (Allium sativum) and other Allium species. Constituent of onion (Allium cepa), garlic (Allium sativum) and other Allium subspecies (Z)-S-1-Propenyl methanesulfinothioate is found in garden onion, garlic, and onion-family vegetables.

   

S-Methyl 2-propene-1-sulfinothioate

2-Propenesulfinothioic acid S-methyl ester

C4H8OS2 (136.0017)


S-Methyl 2-propene-1-sulfinothioate is found in onion-family vegetables. S-Methyl 2-propene-1-sulfinothioate is a constituent of Allium species. Constituent of Allium subspecies S-Methyl 2-propene-1-sulfinothioate is found in onion-family vegetables.

   

(Z)-S-Methyl 1-propenesulfinothioate

{[(1Z)-prop-1-ene-1-sulphinyl]sulphanyl}methane

C4H8OS2 (136.0017)


(Z)-S-Methyl 1-propenesulfinothioate is found in onion-family vegetables. (Z)-S-Methyl 1-propenesulfinothioate is a constituent of Allium species. Constituent of Allium subspecies (Z)-S-Methyl 1-propenesulfinothioate is found in onion-family vegetables.

   

S-2-Propenyl methanesulfinothioate

S-2-Propenyl methanesulphinothioic acid

C4H8OS2 (136.0017)


S-2-Propenyl methanesulfinothioate is found in onion-family vegetables. S-2-Propenyl methanesulfinothioate is a constituent of Allium species. Constituent of Allium subspecies S-2-Propenyl methanesulfinothioate is found in soft-necked garlic and onion-family vegetables.

   

Methyl 2-propenyl selenide

3-(Methylseleno)-1-propene, 9ci

C4H8Se (135.9791)


Methyl 2-propenyl selenide is found in onion-family vegetables. Methyl 2-propenyl selenide is a constituent of Allium sp

   

2-Chloro-1,1,1,2-tetrafluoroethane

1,1,1,2-tetrafluoro-2-Chloroethane

C2HClF4 (135.9703)


   

Methyl-trans-1-propenyl thiosulfinate

{[(1E)-prop-1-ene-1-sulphinyl]sulphanyl}methane

C4H8OS2 (136.0017)


Methyl-1-propenyl thiosulfinate is a member of the class of compounds known as thiosulfinic acid esters. Thiosulfinic acid esters are organic compounds containing an ester of thiosulfinic acid with the general structure RS(=S)OR (R, R=alkyl, aryl). Methyl-1-propenyl thiosulfinate is soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Methyl-1-propenyl thiosulfinate can be found in soft-necked garlic, which makes methyl-1-propenyl thiosulfinate a potential biomarker for the consumption of this food product.

   

trans-1-Propenyl methyl thiosulfinate

(1E)-1-(Methanesulphinylsulphanyl)prop-1-ene

C4H8OS2 (136.0017)


Trans-1-propenyl methyl thiosulfinate is a member of the class of compounds known as thiosulfinic acid esters. Thiosulfinic acid esters are organic compounds containing an ester of thiosulfinic acid with the general structure RS(=S)OR (R, R=alkyl, aryl). Trans-1-propenyl methyl thiosulfinate is soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Trans-1-propenyl methyl thiosulfinate can be found in soft-necked garlic, which makes trans-1-propenyl methyl thiosulfinate a potential biomarker for the consumption of this food product.

   

Potassium hydrogen sulfate (KHSO4)

Potassium hydrogen sulphuric acid (khso4)

HKO4S (135.9233)


Food additive (seasoning); acidity regulator

   

Potassium phosphate (K(H2PO4))

Potassium dihydrogen orthophosphoric acid

H2KO4P (135.9328)


C78275 - Agent Affecting Blood or Body Fluid > C29730 - Electrolyte Replacement Agent Buffering agent; acidulant; leavening agent; nutrient source D020011 - Protective Agents > D002327 - Cariostatic Agents D019995 - Laboratory Chemicals > D002021 - Buffers D001697 - Biomedical and Dental Materials

   

Propionyl bromide

Propionyl bromide

C3H5BrO (135.9524)


   

1-Bromoacetone

1-Bromoacetone

C3H5BrO (135.9524)


   

Methylthiomethyl acetyl sulfide

Methylthiomethyl acetyl sulfide

C4H8OS2 (136.0017)


   

1,3-dithiane 1-oxide

1,3-dithiane 1-oxide

C4H8OS2 (136.0017)


   

3-(2-Thienyl) propargyl aldehyde

3-(2-Thienyl) propargyl aldehyde

C7H4OS (135.9983)


   

Allyl methyl selenide

3-(Methylseleno)-1-propene, 9ci

C4H8Se (135.9791)


   

S-Methyl 2-propene-1-sulfinothioate

[(prop-2-ene-1-sulfinyl)sulfanyl]methane

C4H8OS2 (136.0017)


   

Allyl methanethiosulfinate

3-(methanesulfinylsulfanyl)prop-1-ene

C4H8OS2 (136.0017)


   

S-Methyl 1-propenesulfinothioate

{[(1Z)-prop-1-ene-1-sulfinyl]sulfanyl}methane

C4H8OS2 (136.0017)


   

S-1-Propenyl methanesulfinothioate

(1Z)-1-(methanesulfinylsulfanyl)prop-1-ene

C4H8OS2 (136.0017)


   

potassium,(1E,3E)-5-oxopenta-1,3-dien-1-olate

potassium,(1E,3E)-5-oxopenta-1,3-dien-1-olate

C5H5KO2 (135.9927)


   

5-Thiazolamine hydrochloride

5-Thiazolamine hydrochloride

C3H5ClN2S (135.9862)


   

2-Bromo-2-methylpropane

2-Bromo-2-methylpropane

C4H9Br (135.9888)


   

Dicalcium phosphate

dicalcium phosphate feed grade

CaHO4P (135.9238)


It is used in foods as a leavening agent, stabiliser and thickener, nutrient, pH control agent, masticatory substance, moisture control agent, emulsifier, and appearance control agent for colours and colour modifiers

   

2,3-Oxiranedimethanethiol

2,3-Oxiranedimethanethiol

C4H8OS2 (136.0017)


   

4,5-Dichloro-1H-imidazole

4,5-Dichloro-1H-imidazole

C3H2Cl2N2 (135.9595)


   

Epibromohydrin

Epibromohydrin

C3H5BrO (135.9524)


   

2-Acetoxyacetyl chloride

2-Acetoxyacetyl chloride

C4H5ClO3 (135.9927)


   

Magnesium thiosulfate hexahydrate

Magnesium thiosulfate hexahydrate

MgO3S2 (135.9139)


   

Isothiazol-4-amine hydrochloride

Isothiazol-4-amine hydrochloride

C3H5ClN2S (135.9862)


   

3-Bromooxetane

3-Bromooxetane

C3H5BrO (135.9524)


   

Calcium chloride

Calcium chloride

CaO6++ (135.9321)


   

2-Bromopropanal

2-Bromopropanal

C3H5BrO (135.9524)


   

sodium,2,2,2-trifluoroacetate

sodium,2,2,2-trifluoroacetate

C2F3NaO2 (135.9748)


   

m-chlorophenylacetylene

m-chlorophenylacetylene

C8H5Cl (136.008)


   

Sodium perfluoroacetate

Sodium perfluoroacetate

C2F3NaO2 (135.9748)


   

Propanoyl bromide

Propanoyl bromide

C3H5BrO (135.9524)


   

Dihydroxymalonic acid

Dihydroxymalonic acid

C3H4O6 (136.0008)


   

Thiazol-4-amine hydrochloride

Thiazol-4-amine hydrochloride

C3H5ClN2S (135.9862)


   

trifluoromethanesulphenyl chloride

trifluoromethanesulphenyl chloride

CClF3S (135.9361)


   

1,3-Dithiolane-2-thione

1,3-Dithiolane-2-thione

C3H4S3 (135.9475)


   

Chlorotetrafluoroethane

Chlorotetrafluoroethane

C2HClF4 (135.9703)


   

Methyl 3-chloro-3-oxopropanoate

Methyl 3-chloro-3-oxopropanoate

C4H5ClO3 (135.9927)


   

Bromine trifluoride

Bromine trifluoride

BrF3 (135.9135)


   

5-Ethynylthiophene-2-carbaldehyde

5-Ethynylthiophene-2-carbaldehyde

C7H4OS (135.9983)


   

4-Chlorophenylacetylene

4-Chlorophenylacetylene

C8H5Cl (136.008)


   

2-Bromobutane

2-Bromobutane

C4H9Br (135.9888)


   

1-chloro-1,1,2,2-tetrafluoroethane

1-chloro-1,1,2,2-tetrafluoroethane

C2HClF4 (135.9703)


   

1-Bromobutane

1-Bromobutane

C4H9Br (135.9888)


   

1-Bromo-2-methylpropane

1-Bromo-2-methylpropane

C4H9Br (135.9888)


   

phenylmagnesium chloride

phenylmagnesium chloride

C6H5ClMg (135.993)


   

magnesium phosphide

magnesium phosphide

H2Mg3P2 (135.9183)


   

Thiazol-2-amine hydrochloride

Thiazol-2-amine hydrochloride

C3H5ClN2S (135.9862)


   

Ethoxalyl chloride

Ethoxalyl chloride

C4H5ClO3 (135.9927)


   

4-CHLORO-1,2,5-THIADIAZOL-3-OL

4-CHLORO-1,2,5-THIADIAZOL-3-OL

C2HClN2OS (135.9498)


   

1-Chloro-2-ethynylbenzene

1-Chloro-2-ethynylbenzene

C8H5Cl (136.008)


   

trichloropraseodymium,hydrate

trichloropraseodymium,hydrate

CH3Cl3O (135.9249)


   

2-Bromoprop-2-en-1-ol

2-Bromoprop-2-en-1-ol

C3H5BrO (135.9524)


   

2,5-Dichlorofuran

2,5-Dichlorofuran

C4H2Cl2O (135.9483)


   

Potassium ethyl(trifluoro)borate(1-)

Potassium ethyl(trifluoro)borate(1-)

C2H5BF3K (136.0073)


   

2-Chloro-1,1,1,2-tetrafluoroethane

2-Chloro-1,1,1,2-tetrafluoroethane

C2HClF4 (135.9703)


   

trimethylarsane oxide

trimethylarsane oxide

C3H9AsO (135.9869)


   

Calcium sulfate

Calcium sulfate

CaO4S (135.9143)


D001697 - Biomedical and Dental Materials > D003764 - Dental Materials

   

3,4-Dicyanofuroxan

3,4-Dicyanofuroxan

C4N4O2 (136.0021)


   

Monopotassium phosphate

Potassium dihydrogen phosphate

H2KO4P (135.9328)


C78275 - Agent Affecting Blood or Body Fluid > C29730 - Electrolyte Replacement Agent D020011 - Protective Agents > D002327 - Cariostatic Agents D019995 - Laboratory Chemicals > D002021 - Buffers D001697 - Biomedical and Dental Materials

   

3-Sulfinopropionate

3-Sulfinopropionate

C3H4O4S-2 (135.983)


   

Potassium bisulfate

Potassium bisulfate

HKO4S (135.9233)


   

(1R,2S)-epoxypropylphosphonate(2-)

(1R,2S)-epoxypropylphosphonate(2-)

C3H5O4P-2 (135.9925)


   

Carbonmonoxide-(dicyano) iron

Carbonmonoxide-(dicyano) iron

C3FeN2O-2 (135.936)


   

Oxidodiperoxidochromium

Oxidodiperoxidochromium

CrH4O5 (135.9464)


   

1,1,2,2,2-Pentafluoroethanol

1,1,2,2,2-Pentafluoroethanol

C2HF5O (135.9948)


   

Gypsum

Calcium sulfate

CaSO4 (135.9143)


D001697 - Biomedical and Dental Materials > D003764 - Dental Materials Same as: D09201

   

S-2-Propenyl methanesulfinothioate

S-2-Propenyl methanesulfinothioate

C4H8OS2 (136.0017)


   

(Z)-S-1-Propenyl methanesulfinothioate

(Z)-S-1-Propenyl methanesulfinothioate

C4H8OS2 (136.0017)


   

(Z)-S-Methyl 1-propenesulfinothioate

(Z)-S-Methyl 1-propenesulfinothioate

C4H8OS2 (136.0017)


   

(1R,2S)-epoxypropylphosphonate(2-)

(1R,2S)-epoxypropylphosphonate(2-)

C3H5O4P (135.9925)


An organophosphonate oxoanion obtained by deprotonation of the two phosphonate OH groups of (1R,2S)-epoxypropylphosphonic acid.

   

(1e)-1-(methoxy-λ⁴-disulfanyl)prop-1-ene

(1e)-1-(methoxy-λ⁴-disulfanyl)prop-1-ene

C4H8OS2 (136.0017)


   

1-(methanesulfinylsulfanyl)prop-1-ene

1-(methanesulfinylsulfanyl)prop-1-ene

C4H8OS2 (136.0017)


   

3-(2-thienyl)propargyl aldehyde

NA

C7H4OS (135.9983)


{"Ingredient_id": "HBIN007064","Ingredient_name": "3-(2-thienyl)propargyl aldehyde","Alias": "NA","Ingredient_formula": "C7H4OS","Ingredient_Smile": "C1=CSC(=C1)C#CC=O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21315","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

allyl-methyl thiosulfinates

NA

C4H8OS2 (136.0017)


{"Ingredient_id": "HBIN015258","Ingredient_name": "allyl-methyl thiosulfinates","Alias": "NA","Ingredient_formula": "C4H8OS2","Ingredient_Smile": "CS(=O)SCC=C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "34845","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

(1z)-1-(methoxy-λ⁴-disulfanyl)prop-1-ene

(1z)-1-(methoxy-λ⁴-disulfanyl)prop-1-ene

C4H8OS2 (136.0017)


   

3-(methoxy-λ⁴-disulfanyl)prop-1-ene

3-(methoxy-λ⁴-disulfanyl)prop-1-ene

C4H8OS2 (136.0017)


   

(1e)-1-[(s)-methanesulfinylsulfanyl]prop-1-ene

(1e)-1-[(s)-methanesulfinylsulfanyl]prop-1-ene

C4H8OS2 (136.0017)


   

(2e)-but-2-en-1-yl-λ⁴-disulfanylol

(2e)-but-2-en-1-yl-λ⁴-disulfanylol

C4H8OS2 (136.0017)


   

[(prop-2-en-1-yloxy)-λ⁴-disulfanyl]methane

[(prop-2-en-1-yloxy)-λ⁴-disulfanyl]methane

C4H8OS2 (136.0017)


   

(1z)-1-[(s)-methanesulfinylsulfanyl]prop-1-ene

(1z)-1-[(s)-methanesulfinylsulfanyl]prop-1-ene

C4H8OS2 (136.0017)


   

{[(s)-prop-2-ene-1-sulfinyl]sulfanyl}methane

{[(s)-prop-2-ene-1-sulfinyl]sulfanyl}methane

C4H8OS2 (136.0017)


   

(2z)-but-2-en-1-yl-λ⁴-disulfanylol

(2z)-but-2-en-1-yl-λ⁴-disulfanylol

C4H8OS2 (136.0017)