Exact Mass: 94.0088496

Exact Mass Matches: 94.0088496

Found 106 metabolites which its exact mass value is equals to given mass value 94.0088496, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Phenol

Hydroxybenzene

C6H6O (94.0418626)


D - Dermatologicals > D08 - Antiseptics and disinfectants > D08A - Antiseptics and disinfectants > D08AE - Phenol and derivatives C - Cardiovascular system > C05 - Vasoprotectives > C05B - Antivaricose therapy > C05BB - Sclerosing agents for local injection An organic hydroxy compound that consists of benzene bearing a single hydroxy substituent. The parent of the class of phenols. R - Respiratory system > R02 - Throat preparations > R02A - Throat preparations > R02AA - Antiseptics D019999 - Pharmaceutical Solutions > D012597 - Sclerosing Solutions N - Nervous system > N01 - Anesthetics > N01B - Anesthetics, local D000890 - Anti-Infective Agents D002317 - Cardiovascular Agents D004202 - Disinfectants CONFIDENCE standard compound; INTERNAL_ID 225

   

Benzene oxide

7-oxabicyclo[4.1.0]hepta-2,4-diene

C6H6O (94.0418626)


   

Chloroacetic acid

Monochloracetic acidacide monochloracetique

C2H3ClO2 (93.9821568)


Prohibited from use in food Chloroacetic acid is the chemical compound with the formula ClCH2CO2H. This carboxylic acid is a useful building block in organic synthesis. Like other chloroacetic acids and related halocarbons, it is a potentially dangerous alkylating agent

   

Dimethyldisulfide

(Methyldisulfanyl)methane

C2H6S2 (93.9910916)


Dimethyldisulfide is a volatile organic compound. Methyl disulfide is occasionally found as a volatile component of normal human breath and biofluids. Dimethyldisulfide is one of the representative volatile components found in oral malodor. Dimethyldisulfide concentrations in breath is a practical noninvasive way to assess recent exposure to sulfur compounds in sulfate pulp mills, and therefore it should be applicable to workplaces contaminated. (PMID: 5556886, 14691119, 11236158, 8481097). Isolated from garlic oil (Allium sativum), also in onion (Allium cepa), ramsons (Allium ursinum), morello cherry, melon, pineapple, strawberry, wheat bread, cocoa, roasted barley, roasted filberts, roasted peanuts, crispbread, American potato chips, soybean and other foodstuffs. Flavouring ingredient.

   

Dimethyl sulphone

Methane, 1,1′-sulfonylbis-

C2H6O2S (94.0088496)


Dimethyl sulfone, also known as sulfonylbismethane or lignisul MSM, belongs to the class of organic compounds known as sulfones. Sulfones are compounds containing a sulfonyl group, which has the general structure RS(=O)2R (R,R =alkyl, aryl), attached to two carbon atoms. Dimethyl sulfone (DMSO2) is an organic sulfur compound belonging to a class of chemicals known as sulfones. It derives from dietary sources, from intestinal bacterial metabolism and from human endogenous methanethiol metabolism. DMSO2 reflects its close chemical relationship to dimethyl sulfoxide (DMSO), which differs only in the oxidation state of the sulfur atom. Dimethyl sulfone is possibly neutral. Dimethyl sulfone exists in all living organisms, ranging from bacteria to humans. DMSO2 is the primary metabolite of DMSO in humans, and it shares some of the properties of DMSO. Dimethyl sulfone is sulfurous tasting compound. dimethyl sulfone is found on average in the highest concentration in milk (cow). Dimethyl sulfone has also been detected, but not quantified in asparagus and guava. This could make dimethyl sulfone a potential biomarker for the consumption of these foods. Dimethyl sulfone can be found in Afipia. It occurs naturally in some primitive plants and is present in small amounts in many foods and beverages. Dimethyl sulfone can be found in plasma and CSF of normal humans. Methylsulfonylmethane (MSM) is an organosulfur compound with the formula (CH3)2SO2. It is also known by several other names including DMSO2, methyl sulfone, and dimethyl sulfone. This colorless solid features the sulfonyl functional group and is considered relatively inert chemically. It occurs naturally in some primitive plants and is present in small amounts in many foods and beverages and it is marketed as a dietary supplement. Dimethyl sulfone is found in guava. C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D000893 - Anti-Inflammatory Agents Dimethyl sulfone (Methyl Sulfonyl Methane) is a metabolic product of endogenous methanethiol metabolism and intestinal bacterial metabolism. Dimethyl sulfone inhibits choriocapillary endothelial (CCE) cell proliferation, also has many biological effects, including antiinflammatory, antioxidant, and local anesthetic effects that could be neuroprotective[1][2][3]. Dimethyl sulfone (Methyl Sulfonyl Methane) is a metabolic product of endogenous methanethiol metabolism and intestinal bacterial metabolism. Dimethyl sulfone inhibits choriocapillary endothelial (CCE) cell proliferation, also has many biological effects, including antiinflammatory, antioxidant, and local anesthetic effects that could be neuroprotective[1][2][3].

   

Fampridine

4-aminopyridine

C5H6N2 (94.05309559999999)


D002317 - Cardiovascular Agents > D026902 - Potassium Channel Blockers D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker N - Nervous system Same as: D04127

   

Phenol

Phenolated water for disinfection

C6H6O (94.0418626)


Phenol, is a toxic, colourless crystalline solid with a sweet tarry odor that resembles a hospital smell. It is commonly used as an antiseptic and disinfectant. It is active against a wide range of micro-organisms including some fungi and viruses, but is only slowly effective against spores. It has been used to disinfect skin and to relieve itching. Phenol is also used in the preparation of cosmetics including sunscreens, hair dyes, and skin lightening preparations. It is also used in the production of drugs (it is the starting material in the industrial production of aspirin), weedkillers, and synthetic resins. Phenol can be found in areas with high levels of motor traffic, therefore, people living in crowded urban areas are frequently exposed to traffic-derived phenol vapor. The average (mean +/- SD) phenol concentration in urine among normal individuals living in urban areas is 7.4 +/- 2.2 mg/g of creatinine. Exposure of the skin to concentrated phenol solutions causes chemical burns which may be severe; in laboratories where it is used, it is usually recommended that polyethylene glycol solution is kept available for washing off splashes. Notwithstanding the effects of concentrated solutions, it is also used in cosmetic surgery as an exfoliant, to remove layers of dead skin (Wikipedia). In some bacteria phenol can be directly synthesized from tyrosine via the enzyme tyrosine phenol-lyase [EC:4.1.99.2]. It can be produced by Escherichia and Pseudomonas. Phenol has been identified as a uremic toxin according to the European Uremic Toxin Working Group (PMID: 22626821). It is used as a flavouring agent in a few foods, at maximum levels below 10 ppm

   

Methylpyrazine

2-Methylpyrazine, Pharmaceutical Secondary Standard; Certified Reference Material

C5H6N2 (94.05309559999999)


Methylpyrazine is a member of the class of pyrazines that is pyrazine in which one of the hydrogens is replaced by a methyl group. It is a flavouring agent found in coffee, peanuts and red peppers. It has a role as a flavouring agent, a plant metabolite and a Maillard reaction product. 2-Methylpyrazine is a natural product found in Coffea, Coffea arabica, and other organisms with data available. Methylpyrazine is found in alcoholic beverages. Methylpyrazine is a flavouring agent. Methylpyrazine is present in many foods, e.g. bakery products, dairy products, meats, baked or French fried potato, roasted barley, cocoa, coffee, tea, roasted filbert, roasted pecan, peanut, soy products, rum and whisky. Methylpyrazine is a flavouring agent. It is found in many foods, e.g. bakery products, dairy products, meats, baked or French fried potato, roasted barley, cocoa, coffee, tea, roasted filbert, roasted pecan, peanut, soy products, rum and whisky. 2-Methylpyrazine is a kind of?alkylpyrazine that can be identified in roasted red pepper seed oils[1]. 2-Methylpyrazine is a kind of?alkylpyrazine that can be identified in roasted red pepper seed oils[1].

   

2-Chloro-1-propanol

beta-Chloropropyl alcohol

C3H7ClO (94.0185402)


(±)-2-Chloro-1-propanol is used for etherification of food starc

   

1,2-Ethanedithiol

2-Mercaptoethanol disulfide

C2H6S2 (93.9910916)


1,2-Ethanedithiol is found in animal foods. 1,2-Ethanedithiol is present in cooked chicken and beef. 1,2-Ethanedithiol is a flavouring ingredient.1,2-Ethanedithiol is an odorous, colorless liquid with the formula C2H4(SH)2. It has a very characteristic odour which is compared by many people to rotten cabbage. It is a common building block in organic synthesis and an excellent ligand for metal ions Present in cooked chicken and beef. Flavouring ingredient

   

Ethane-1,1-dithiol

2-Mercaptoethanol disulfide

C2H6S2 (93.9910916)


Ethane-1,1-dithiol is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")

   

Methylthiomethylmercaptan

(Methylsulphanyl)methanethiol

C2H6S2 (93.9910916)


Methylthiomethylmercaptan is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")

   

1-Vinylimidazole

1-Ethenyl-1H-imidazole

C5H6N2 (94.05309559999999)


   

1,3-Difluoroacetone

1,3-difluoropropan-2-one

C3H4F2O (94.0230198)


   

2-Aminopyridine

alpha-Aminopyridine, hydrochloride

C5H6N2 (94.05309559999999)


   

Diazepine

1H-1,2-diazepine

C5H6N2 (94.05309559999999)


   

hydroxycarbonate

Dihydroxy carbonic acid

CH2O5 (93.9902242)


   

METHYL CHLOROFORMATE

chloro(methoxy)methanone

C2H3ClO2 (93.9821568)


   

Methoxyphosphinate

Methoxyphosphinic acid

CH3O3P (93.9819818)


   

Oxepin

Oxepenes

C6H6O (94.0418626)


   

Oxybutynin AL

4-(diethylamino)-2-Butynyl-alpha-cyclohexyl-alpha-hydroxybenzeneacetate

C5H2O2 (94.0054792)


D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics D000890 - Anti-Infective Agents > D000892 - Anti-Infective Agents, Urinary > D008333 - Mandelic Acids D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D000089162 - Genitourinary Agents > D064804 - Urological Agents

   
   

2-AMINOPYRIDINE

2-AMINOPYRIDINE

C5H6N2 (94.05309559999999)


D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes CONFIDENCE standard compound; INTERNAL_ID 2438 CONFIDENCE standard compound; INTERNAL_ID 8012

   

3-Methylpyridazine

3-Methylpyridazine

C5H6N2 (94.05309559999999)


CONFIDENCE standard compound; INTERNAL_ID 8042

   

4-METHYLPYRIMIDINE

4-METHYLPYRIMIDINE

C5H6N2 (94.05309559999999)


CONFIDENCE standard compound; INTERNAL_ID 8264

   

Dinitrile-Pentanedioic acid

Dinitrile-Pentanedioic acid

C5H6N2 (94.05309559999999)


   
   

Dimethyl sulfone

Sulfonylbismethane

C2H6O2S (94.0088496)


C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D000893 - Anti-Inflammatory Agents Dimethyl sulfone (Methyl Sulfonyl Methane) is a metabolic product of endogenous methanethiol metabolism and intestinal bacterial metabolism. Dimethyl sulfone inhibits choriocapillary endothelial (CCE) cell proliferation, also has many biological effects, including antiinflammatory, antioxidant, and local anesthetic effects that could be neuroprotective[1][2][3]. Dimethyl sulfone (Methyl Sulfonyl Methane) is a metabolic product of endogenous methanethiol metabolism and intestinal bacterial metabolism. Dimethyl sulfone inhibits choriocapillary endothelial (CCE) cell proliferation, also has many biological effects, including antiinflammatory, antioxidant, and local anesthetic effects that could be neuroprotective[1][2][3].

   

Propylene chlorohydrin

beta-Chloropropyl alcohol

C3H7ClO (94.0185402)


   

Ethylenedithiol

alpha-Ethylene dimercaptan

C2H6S2 (93.9910916)


   

Ethanedithiol

Ethane-1,1-dithiol

C2H6S2 (93.9910916)


   

Methylthiomethylmercaptan

(methylsulfanyl)methanethiol

C2H6S2 (93.9910916)


   

Methylpyrazine

2-Methyl-1,4-diazine

C5H6N2 (94.05309559999999)


A member of the class of pyrazines that is pyrazine in which one of the hydrogens is replaced by a methyl group. It is a flavouring agent found in coffee, peanuts and red peppers. 2-Methylpyrazine is a kind of?alkylpyrazine that can be identified in roasted red pepper seed oils[1]. 2-Methylpyrazine is a kind of?alkylpyrazine that can be identified in roasted red pepper seed oils[1].

   

2-chloro-acetic acid

2-chloro-ethanoic acid

C2H3ClO2 (93.9821568)


   

1,1-DIFLUOROACETONE

1,1-DIFLUOROACETONE

C3H4F2O (94.0230198)


   

Sodium acrylate

Sodium acrylate

C3H3NaO2 (94.0030738)


   

ethyl-hydroxy-oxophosphanium

ethyl-hydroxy-oxophosphanium

C2H7O2P (94.0183652)


   
   
   

Carbamide Peroxide

Hydrogen peroxide - urea

CH6N2O3 (94.03784060000001)


D016877 - Oxidants > D057886 - Bleaching Agents > D058205 - Tooth Bleaching Agents C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent D009676 - Noxae > D016877 - Oxidants > D010545 - Peroxides D000890 - Anti-Infective Agents

   

3,3,3-Trifluoro-1-propyne

3,3,3-Trifluoro-1-propyne

C3HF3 (94.0030342)


   
   

2-chloroethylsilane

2-chloroethylsilane

C2H7ClSi (94.0005532)


   

Isoxazole-3-carbonitrile

Isoxazole-3-carbonitrile

C4H2N2O (94.0167122)


   
   

Lithium tetrafluoroborate

Lithium tetrafluoroborate

BF4Li (94.01892279999998)


   
   

Phenol-13C6

Phenol-13C6

C6H6O (94.0418626)


   

UNII:ZL0FUS96WW

UNII:ZL0FUS96WW

C3H7ClO (94.0185402)


   
   

Ethoxychloromethane

Ethoxychloromethane

C3H7ClO (94.0185402)


   

boron silicide

boron silicide

B6Si (94.032758)


   

2H-1,2,4-triazole-3-carbonitrile

2H-1,2,4-triazole-3-carbonitrile

C3H2N4 (94.0279452)


   

Potassium fluoride dihydrate

Potassium fluoride dihydrate

FH4KO2 (93.98323959999999)


   

Chlorodimethylsilane

Chlorodimethylsilane

C2H7ClSi (94.0005532)


   

1,2-Oxazole-4-carbonitrile

1,2-Oxazole-4-carbonitrile

C4H2N2O (94.0167122)


   

Acetimidamide hydrochloride

Acetimidamide hydrochloride

C2H7ClN2 (94.0297732)


   

Phenol-14C6

Phenol-14C6

C6H6O (94.0418626)


   

2-chloroacetic acid-13

2-chloroacetic acid-13

C2H3ClO2 (93.9821568)


   

Oxazole-5-carbonitrile

Oxazole-5-carbonitrile

C4H2N2O (94.0167122)


   

1-Chloro-2-propanol

1-Chloro-2-propanol

C3H7ClO (94.0185402)


   

3-Chloro-2-fluoroprop-1-ene

3-Chloro-2-fluoroprop-1-ene

C3H4ClF (93.99855459999999)


   

Dimethylzinc

Dimethylzinc

C2H6Zn (93.9760926)


   

lithium pyruvate

lithium pyruvate

C3H3LiO3 (94.0242238)


   

chloroacetic acid-1-13C

chloroacetic acid-1-13C

C2H3ClO2 (93.9821568)


   

3,3-Difluorooxetane

3,3-Difluorooxetane

C3H4F2O (94.0230198)


   

5-cyanoisoxazole

5-cyanoisoxazole

C4H2N2O (94.0167122)


   

2-Chloro-1-propanol

2-Chloro-1-propanol

C3H7ClO (94.0185402)


   
   

Monochloroacetic Acid-13C2

Monochloroacetic Acid-13C2

C2H3ClO2 (93.9821568)


   

Dimethylphosphinic acid

Dimethylphosphinic acid

C2H7O2P (94.0183652)


   

4-Cyanooxazole

4-Cyanooxazole

C4H2N2O (94.0167122)


   

3-Chloro-1-propanol

3-Chloro-1-propanol

C3H7ClO (94.0185402)


   

Methyl chloroformate

Methyl chloroformate

C2H3ClO2 (93.9821568)


   

Borate tetrahydro , zinc (2:1)

Borate tetrahydro , zinc (2:1)

H8B2Zn (94.0103518)


   

CHLOROPROPANOL, MIXED ISOMERS

CHLOROPROPANOL, MIXED ISOMERS

C3H7ClO (94.0185402)


   
   
   

1-Chloro-2-methoxyethane

1-Chloro-2-methoxyethane

C3H7ClO (94.0185402)


   

1,2-bis(phosphino)ethane

1,2-bis(phosphino)ethane

C2H8P2 (94.0101228)


   

OXAZOLE-2-CARBONITRILE

OXAZOLE-2-CARBONITRILE

C4H2N2O (94.0167122)


   

3-prop-2-ynoxyprop-1-yne

3-prop-2-ynoxyprop-1-yne

C6H6O (94.0418626)


   

Trimethylsulfonium hydroxide

Trimethylsulfonium hydroxide

C3H10OS (94.045233)


   

oxalyl difluoride

oxalyl difluoride

C2F2O2 (93.9866364)


   

1,2-Propanediol,3-fluoro-

1,2-Propanediol,3-fluoro-

C3H7FO2 (94.0430054)


   

SODIUM POLYACRYLATE

SODIUM POLYACRYLATE

C3H3NaO2 (94.0030738)


   
   
   

Methylsilanetriol

Methylsilanetriol

CH6O3Si (94.0086206)


   

Dalfampridine

4-aminopyridine

C5H6N2 (94.05309559999999)


D002317 - Cardiovascular Agents > D026902 - Potassium Channel Blockers D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker N - Nervous system Same as: D04127

   

AI3-36550

InChI=1\C5H6N2\c1-5-4-6-2-3-7-5\h2-4H,1H

C5H6N2 (94.05309559999999)


2-Methylpyrazine is a kind of?alkylpyrazine that can be identified in roasted red pepper seed oils[1]. 2-Methylpyrazine is a kind of?alkylpyrazine that can be identified in roasted red pepper seed oils[1].

   

WLN: 1SS1

Dimethyl disulfide [UN2381] [Flammable liquid]

C2H6S2 (93.9910916)


   

Dimethyl sulfone

methylsulfonylmethane

C2H6O2S (94.0088496)


C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D000893 - Anti-Inflammatory Agents Dimethyl sulfone (Methyl Sulfonyl Methane) is a metabolic product of endogenous methanethiol metabolism and intestinal bacterial metabolism. Dimethyl sulfone inhibits choriocapillary endothelial (CCE) cell proliferation, also has many biological effects, including antiinflammatory, antioxidant, and local anesthetic effects that could be neuroprotective[1][2][3]. Dimethyl sulfone (Methyl Sulfonyl Methane) is a metabolic product of endogenous methanethiol metabolism and intestinal bacterial metabolism. Dimethyl sulfone inhibits choriocapillary endothelial (CCE) cell proliferation, also has many biological effects, including antiinflammatory, antioxidant, and local anesthetic effects that could be neuroprotective[1][2][3].

   

AI3-15287

InChI=1\C5H6N2\c6-5-3-1-2-4-7-5\h1-4H,(H2,6,7

C5H6N2 (94.05309559999999)


D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes

   

2-(Hydroxysulfanyl)ethanol

2-(Hydroxysulfanyl)ethanol

C2H6O2S (94.0088496)


   

Methoxyphosphinate

Methoxyphosphinate

CH3O3P (93.9819818)


   

Methylphosphonate

Methylphosphonate

CH3O3P-2 (93.9819818)


   

(E)-hex-2-en-4-ynal

(E)-hex-2-en-4-ynal

C6H6O (94.0418626)


   

Hydrazonomalononitrile

Hydrazonomalononitrile

C3H2N4 (94.0279452)


   
   

(Z)-hex-2-en-4-ynal

(Z)-hex-2-en-4-ynal

C6H6O (94.0418626)


   

Phenol-d5

Phenol-d5

C6H6O (94.0418626)


   

chloroacetic acid

chloroacetic acid

C2H3ClO2 (93.9821568)


   

Dimethyl disulfide

Dimethyl disulfide

C2H6S2 (93.9910916)


An organic disulfide that is methane in which one of the hydrogens has been replaced by a methyldisulfanyl group.

   

Benzene oxide

Benzene oxide

C6H6O (94.0418626)