Exact Mass: 178.0042

Exact Mass Matches: 178.0042

Found 93 metabolites which its exact mass value is equals to given mass value 178.0042, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Arsenobetaine

Arsonium, (carboxymethyl)trimethyl-, hydroxide, inner salt

C5H11AsO2 (177.9975)


Arsenobetaine is found in crustaceans. Arsenobetaine is found in algae, lobsters, sharks, etc. Arsenobetaine is an organoarsenic compound that is the main source of arsenic found in fish. It is the arsenic analogue of trimethylglycine, commonly known as betaine. The biochemistry and its biosynthesis are similar to the biosynthesis of choline and betaine. The; Besides several other arsenic compounds, such as dimethylarsine and trimethylarsine, arsenobetaine is a common substance in the marine biological systems for arsenic detoxification. Found in algae, lobsters, sharks, etc.

   

Allitridin

Prop-2-enyl prop-2-enylthio disulfide

C6H10S3 (177.9945)


Volatile component from onion (Allium sativum), garlic (Allium sativum) and other commercial garlics. Potential nutriceutical. Allitridin is found in many foods, some of which are onion-family vegetables, garden onion, soft-necked garlic, and garlic. Allitridin is found in garden onion. Allitridin is a volatile component from onion (Allium sativum), garlic (Allium sativum) and other commercial garlics. Potential nutriceutica D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D009676 - Noxae > D000988 - Antispermatogenic Agents > D013089 - Spermatocidal Agents D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents D000890 - Anti-Infective Agents > D000935 - Antifungal Agents D020011 - Protective Agents > D000975 - Antioxidants D010575 - Pesticides > D007306 - Insecticides D009676 - Noxae > D000963 - Antimetabolites D016573 - Agrochemicals Diallyl Trisulfide is isolated from Garlic. Diallyl Trisulfide suppresses the growth of Penicillium expansum (MFC99 value: ≤ 90 μg/mL) and promotes apoptosis via production of reactive oxygen species (ROS) and disintegration of cellular ultrastructure. Anticancer effect[1]. Diallyl Trisulfide is isolated from Garlic. Diallyl Trisulfide suppresses the growth of Penicillium expansum (MFC99 value: ≤ 90 μg/mL) and promotes apoptosis via production of reactive oxygen species (ROS) and disintegration of cellular ultrastructure. Anticancer effect[1].

   

Bissulfine

2,3-Dimethyl-1,4-disulphinylidenebutane

C6H10O2S2 (178.0122)


Constituent of onion (Allium cepa). Bissulfine is found in garden onion and onion-family vegetables. Bissulfine is found in onion-family vegetables. Bissulfine is a constituent of onion (Allium cepa)

   

S-2-Propenyl 2-propene-1-sulfonothioate

3-[(Prop-2-ene-1-sulphonyl)sulphanyl]prop-1-ene

C6H10O2S2 (178.0122)


S-2-Propenyl 2-propene-1-sulfonothioate is found in onion-family vegetables. S-2-Propenyl 2-propene-1-sulfonothioate is a constituent of garlic (Allium sativum). Constituent of garlic (Allium sativum). S-2-Propenyl 2-propene-1-sulfonothioate is found in garlic and onion-family vegetables.

   

S,S'-Ethylidene dithioacetate

1-{[1-(acetylsulphanyl)ethyl]sulphanyl}ethan-1-one

C6H10O2S2 (178.0122)


S,S-Ethylidene dithioacetate is found in citrus. S,S-Ethylidene dithioacetate is isolated from orange juice. Isolated from orange juice. S,S-Ethylidene dithioacetate is found in citrus.

   

Benzo[b]thiophene-2-carboxylic acid

Benzo[b]thiophene-2-carboxylic acid

C9H6O2S (178.0088)


   

Allyl-1-propenyl trisulfide

1-[(1E)-Prop-1-en-1-yl]-3-(prop-2-en-1-yl)trisulphane

C6H10S3 (177.9945)


Trans-1-propenyl allyl trisulfide is a member of the class of compounds known as organic trisulfides. Organic trisulfides are organosulfur compounds with the general formula RSSSR (R,R=alkyl, aryl). Trans-1-propenyl allyl trisulfide can be found in soft-necked garlic, which makes trans-1-propenyl allyl trisulfide a potential biomarker for the consumption of this food product.

   

Di-1-propenyl trisulfide

bis[(1E)-prop-1-en-1-yl]trisulfane

C6H10S3 (177.9945)


Di-1-propenyl trisulfide is a member of the class of compounds known as organic trisulfides. Organic trisulfides are organosulfur compounds with the general formula RSSSR (R,R=alkyl, aryl). Di-1-propenyl trisulfide can be found in soft-necked garlic, which makes di-1-propenyl trisulfide a potential biomarker for the consumption of this food product.

   

Hexa-1,5-dienyl trisulfide

[(1E)-Hexa-1,5-dien-1-ylsulphanyl]dithioperoxol

C6H10S3 (177.9945)


Hexa-1,5-dienyl trisulfide is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Hexa-1,5-dienyl trisulfide can be found in soft-necked garlic, which makes hexa-1,5-dienyl trisulfide a potential biomarker for the consumption of this food product.

   

Diallyl Trisulfide

di-2-propen-1-yl trisdulfide

C6H10S3 (177.9945)


Diallyl Trisulfide is isolated from Garlic. Diallyl Trisulfide suppresses the growth of Penicillium expansum (MFC99 value: ≤ 90 μg/mL) and promotes apoptosis via production of reactive oxygen species (ROS) and disintegration of cellular ultrastructure. Anticancer effect[1]. Diallyl Trisulfide is isolated from Garlic. Diallyl Trisulfide suppresses the growth of Penicillium expansum (MFC99 value: ≤ 90 μg/mL) and promotes apoptosis via production of reactive oxygen species (ROS) and disintegration of cellular ultrastructure. Anticancer effect[1].

   

Bissulfine

2,3-dimethyl-1,4-disulfinylidenebutane

C6H10O2S2 (178.0122)


   

S,S-Ethylidene dithioacetate

1-{[1-(acetylsulfanyl)ethyl]sulfanyl}ethan-1-one

C6H10O2S2 (178.0122)


   

S-2-Propenyl 2-propene-1-sulfonothioate

3-[(prop-2-ene-1-sulfonyl)sulfanyl]prop-1-ene

C6H10O2S2 (178.0122)


   

2-(chloromethyl)-5-methylpyrazine

2-(chloromethyl)-5-methylpyrazine

C6H8Cl2N2 (178.0065)


   

2-(Bromomethyl)piperazine

2-(Bromomethyl)piperazine

C5H11BrN2 (178.0106)


   

4-Chlorophenylhydrazine hydrochloride

4-Chlorophenylhydrazine hydrochloride

C6H8Cl2N2 (178.0065)


   

3-Chloro Phenyl Hydrazine Hydrochloride

3-Chloro Phenyl Hydrazine Hydrochloride

C6H8Cl2N2 (178.0065)


   

Sodium toluene-4-sulphinate

Sodium toluene-4-sulphinate

C7H7NaO2S (178.0064)


   

2-Chlorophenylhydrazine hydrochloride

(2-chlorophenyl)hydrazine hydrochloride

C6H8Cl2N2 (178.0065)


   

1-Brom-3,3-dimethylbutan-2-on

1-Brom-3,3-dimethylbutan-2-on

C6H11BrO (177.9993)


   

2,3,6-trifluoro-5-nitropyridine

2,3,6-trifluoro-5-nitropyridine

C5HF3N2O2 (177.999)


   

3-(2-bromoethyl)tetrahydrofuran(SALTDATA: FREE)

3-(2-bromoethyl)tetrahydrofuran(SALTDATA: FREE)

C6H11BrO (177.9993)


   

2-Mercaptobenzotrifluoride

2-Mercaptobenzotrifluoride

C7H5F3S (178.0064)


   

Imidazo[1,2-b]pyridazine-3-carbonitrile, 6-chloro-

Imidazo[1,2-b]pyridazine-3-carbonitrile, 6-chloro-

C7H3ClN4 (178.0046)


   

4-chloro-2,6-difluorobenzyl alcohol

4-chloro-2,6-difluorobenzyl alcohol

C7H5ClF2O (177.9997)


   

ethyl 1,3-dithiolane-2-carboxylate

ethyl 1,3-dithiolane-2-carboxylate

C6H10O2S2 (178.0122)


   

2-chloro-3,5-difluoroanisole

2-chloro-3,5-difluoroanisole

C7H5ClF2O (177.9997)


   

2,3,4,5-Tetrafluorobenzaldehyde

2,3,4,5-Tetrafluorobenzaldehyde

C7H2F4O (178.0042)


   

3-Mercaptobenzotrifluoride

3-Mercaptobenzotrifluoride

C7H5F3S (178.0064)


   

Methyl(2,4,5-trifluorophenyl)sulfane

Methyl(2,4,5-trifluorophenyl)sulfane

C7H5F3S (178.0064)


   

5-BROMO-PENTANAMIDINE

5-BROMO-PENTANAMIDINE

C5H11BrN2 (178.0106)


   

4-Mercaptobenzotrifluoride

4-Mercaptobenzotrifluoride

C7H5F3S (178.0064)


   

2-Chloro-1,4-benzenediamine hydrochloride

2-Chloro-1,4-benzenediamine hydrochloride

C6H8Cl2N2 (178.0065)


   

1-Benzothiophene-3-carboxylic acid

1-Benzothiophene-3-carboxylic acid

C9H6O2S (178.0088)


   

4-(Bromomethyl)tetrahydropyran

4-(Bromomethyl)tetrahydropyran

C6H11BrO (177.9993)


   

FMOC-L-1-NAPHTHYLALANINE

FMOC-L-1-NAPHTHYLALANINE

C7H5ClF2O (177.9997)


   

P-TOLUENESULFINIC ACID SODIUM SALT TETRAHYDRATE

P-TOLUENESULFINIC ACID SODIUM SALT TETRAHYDRATE

C7H7NaO2S (178.0064)


   

3-(Bromomethyl)tetrahydro-2H-pyran

3-(Bromomethyl)tetrahydro-2H-pyran

C6H11BrO (177.9993)


   

2-amino-6-chloro-pyridine-3,5-dicarbonitrile

2-amino-6-chloro-pyridine-3,5-dicarbonitrile

C7H3ClN4 (178.0046)


   

BENZO[B]THIOPHENE-7-CARBOXYLIC ACID

BENZO[B]THIOPHENE-7-CARBOXYLIC ACID

C9H6O2S (178.0088)


   

3-chloro-2,6-difluoroanisole

3-chloro-2,6-difluoroanisole

C7H5ClF2O (177.9997)


   

3-chloro-2,6-difluorobenzyl alcohol

3-chloro-2,6-difluorobenzyl alcohol

C7H5ClF2O (177.9997)


   

(5-Chloropyridin-2-yl)methanamine hydrochloride

(5-Chloropyridin-2-yl)methanamine hydrochloride

C6H8Cl2N2 (178.0065)


   

1-Benzothiophene-5-carboxylic acid

1-Benzothiophene-5-carboxylic acid

C9H6O2S (178.0088)


   

4-hydroxy-benzo[b]thiophene-7-carboxaldehyde

4-hydroxy-benzo[b]thiophene-7-carboxaldehyde

C9H6O2S (178.0088)


   

(Chlorodifluoromethoxy)benzene

(Chlorodifluoromethoxy)benzene

C7H5ClF2O (177.9997)


   

CHEMBRDG-BB 4017854

CHEMBRDG-BB 4017854

C5H7ClN2OS (177.9968)


   

((trifluoromethyl)thio)benzene

((trifluoromethyl)thio)benzene

C7H5F3S (178.0064)


   

(1S,2R)-2-Bromo-cyclohexanol

(1S,2R)-2-Bromo-cyclohexanol

C6H11BrO (177.9993)


   

1,2,5-Thiadiazole, 3,4-dimethoxy-, 1,1-dioxide

1,2,5-Thiadiazole, 3,4-dimethoxy-, 1,1-dioxide

C4H6N2O4S (178.0048)


   

6-Chloro-2,3-difluorobenzyl alcohol

6-Chloro-2,3-difluorobenzyl alcohol

C7H5ClF2O (177.9997)


   

3-BROMOTETRAHYDRO-2-METHYL-2H-PYRAN

3-BROMOTETRAHYDRO-2-METHYL-2H-PYRAN

C6H11BrO (177.9993)


   

4-Chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

4-Chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

C7H3ClN4 (178.0046)


   

6-Chloro-1H-imidazo[4,5-c]pyridine-4-carbonitrile

6-Chloro-1H-imidazo[4,5-c]pyridine-4-carbonitrile

C7H3ClN4 (178.0046)


   

(2-Chloropyridin-4-yl)methanamine hydrochloride

(2-Chloropyridin-4-yl)methanamine hydrochloride

C6H8Cl2N2 (178.0065)


   

1,3-Dithiane-2-carboxylicacid, methyl ester

1,3-Dithiane-2-carboxylicacid, methyl ester

C6H10O2S2 (178.0122)


   

5-Chloro-1,3-difluoro-2-methoxybenzene

5-Chloro-1,3-difluoro-2-methoxybenzene

C7H5ClF2O (177.9997)


   

Methyl pentafluoropropanoate

Methyl pentafluoropropanoate

C4H3F5O2 (178.0053)


   

(2-CHLORO-PHENYL)-PHENYL-AMINE

(2-CHLORO-PHENYL)-PHENYL-AMINE

C5H11BrN2 (178.0106)


   

Benzo[b]thiophene-4-carboxylic acid

Benzo[b]thiophene-4-carboxylic acid

C9H6O2S (178.0088)


   

4-bromo-3,3-dimethylbutan-2-one

4-bromo-3,3-dimethylbutan-2-one

C6H11BrO (177.9993)


   

2-(4-Bromobutyl)oxirane

2-(4-Bromobutyl)oxirane

C6H11BrO (177.9993)


   

6-Bromohexanal

6-Bromohexanal

C6H11BrO (177.9993)


   

3-ethyl-3-(bromomethyl)oxetane

3-ethyl-3-(bromomethyl)oxetane

C6H11BrO (177.9993)


   

UNII:9BYT763GMT

UNII:9BYT763GMT

C6H11BrO (177.9993)


   

(4-CHLOROPYRIDIN-2-YL)METHANAMINE DIHYDROCHLORIDE

(4-CHLOROPYRIDIN-2-YL)METHANAMINE DIHYDROCHLORIDE

C6H8Cl2N2 (178.0065)


   

(5-chloro-2,4-difluorophenyl)methanol

(5-chloro-2,4-difluorophenyl)methanol

C7H5ClF2O (177.9997)


   

2-PYRIDINAMINE, 4-CHLORO-N-METHYL-, MONOHYDROCHLORIDE

2-PYRIDINAMINE, 4-CHLORO-N-METHYL-, MONOHYDROCHLORIDE

C6H8Cl2N2 (178.0065)


   

sodium 5-fluoro-2-hydroxybenzoate

sodium 5-fluoro-2-hydroxybenzoate

C7H4FNaO3 (178.0042)


   

7-Chloropyrazolo[1,5-a]pyrimidine-3-carbonitrile

7-Chloropyrazolo[1,5-a]pyrimidine-3-carbonitrile

C7H3ClN4 (178.0046)


   

5-(2-FURYL)THIOPHENE-2-CARBALDEHYDE

5-(2-FURYL)THIOPHENE-2-CARBALDEHYDE

C9H6O2S (178.0088)


   

6-Bromo-2-hexanone

6-Bromo-2-hexanone

C6H11BrO (177.9993)


   

Sodium Orotate

sodium 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate

C5H3N2NaO4 (177.9991)


An organic sodium salt comprising equal numbers of sodium and orotate ions.

   

2-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

2-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

C7H3ClN4 (178.0046)


   

2,3,5,6-tetrafluorobenzaldehyde

2,3,5,6-tetrafluorobenzaldehyde

C7H2F4O (178.0042)


   

4-Hydroxy-2H-thiochromen-2-one

4-Hydroxy-2H-thiochromen-2-one

C9H6O2S (178.0088)


   

2-chloro-3,6-difluoroanisole

2-chloro-3,6-difluoroanisole

C7H5ClF2O (177.9997)


   

4-(CHLOROMETHYL)PYRIDIN-2-AMINE HYDROCHLORIDE

4-(CHLOROMETHYL)PYRIDIN-2-AMINE HYDROCHLORIDE

C6H8Cl2N2 (178.0065)


   

2-chloro-3,6-difluorobenzyl alcohol

2-chloro-3,6-difluorobenzyl alcohol

C7H5ClF2O (177.9997)


   

5-Thien-2-yl-2-furaldehyde

5-Thien-2-yl-2-furaldehyde

C9H6O2S (178.0088)


   

(4-Chloro-2,6-difluorophenyl)methanol

(4-Chloro-2,6-difluorophenyl)methanol

C7H5ClF2O (177.9997)


   

3,3,4,4,4-pentafluorobutanoic Acid

3,3,4,4,4-pentafluorobutanoic Acid

C4H3F5O2 (178.0053)


   

Garlic oil

0-01-00-00441 (Beilstein Handbook Reference)

C6H10S3 (177.9945)


D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D009676 - Noxae > D000988 - Antispermatogenic Agents > D013089 - Spermatocidal Agents D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents D000890 - Anti-Infective Agents > D000935 - Antifungal Agents D020011 - Protective Agents > D000975 - Antioxidants D010575 - Pesticides > D007306 - Insecticides D009676 - Noxae > D000963 - Antimetabolites D016573 - Agrochemicals Diallyl Trisulfide is isolated from Garlic. Diallyl Trisulfide suppresses the growth of Penicillium expansum (MFC99 value: ≤ 90 μg/mL) and promotes apoptosis via production of reactive oxygen species (ROS) and disintegration of cellular ultrastructure. Anticancer effect[1]. Diallyl Trisulfide is isolated from Garlic. Diallyl Trisulfide suppresses the growth of Penicillium expansum (MFC99 value: ≤ 90 μg/mL) and promotes apoptosis via production of reactive oxygen species (ROS) and disintegration of cellular ultrastructure. Anticancer effect[1].

   

1-Hydroxyethane-1,1,2-tricarboxylic acid

1-Hydroxyethane-1,1,2-tricarboxylic acid

C5H6O7 (178.0114)


   

Hexa-1,5-dienyl trisulfide

Hexa-1,5-dienyl trisulfide

C6H10S3 (177.9945)


   

4-Isothiocyanatobenzoate

4-Isothiocyanatobenzoate

C8H4NO2S- (177.9963)


   

D-arabinarate(2-)

D-arabinarate(2-)

C5H6O7-2 (178.0114)


   

L-arabinarate(2-)

L-arabinarate(2-)

C5H6O7-2 (178.0114)


   

(3,3,3-Trifluoropropyl)phosphonic acid

(3,3,3-Trifluoropropyl)phosphonic acid

C3H6F3O3P (178.0007)


   

ARSENOBETAINE

ARSENOBETAINE

C5H11AsO2 (177.9975)


   

1-propenylallylthiosulfinate

NA

C6H10O2S2 (178.0122)


{"Ingredient_id": "HBIN003001","Ingredient_name": "1-propenylallylthiosulfinate","Alias": "NA","Ingredient_formula": "C6H10O2S2","Ingredient_Smile": "CC=COS(=O)SCC=C","Ingredient_weight": "178.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT17324","TCMID_id": "17905","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "129704166","DrugBank_id": "NA"}

   

1-(prop-1-en-1-yl)-3-(prop-2-en-1-yl)trisulfane

1-(prop-1-en-1-yl)-3-(prop-2-en-1-yl)trisulfane

C6H10S3 (177.9945)


   

(2e)-5-(thiophen-2-yl)pent-2-en-4-ynoic acid

(2e)-5-(thiophen-2-yl)pent-2-en-4-ynoic acid

C9H6O2S (178.0088)