Exact Mass: 94.0606072

Exact Mass Matches: 94.0606072

Found 101 metabolites which its exact mass value is equals to given mass value 94.0606072, 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)


   

N-Methylpyridinium

1-Methylpyridinium mu-iodotetraiododimercurate (1-)

C6H8N+ (94.06567079999999)


   

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-Methyl-1,3-cyclohexadiene

1-Methylcyclohexa-1,3-diene

C7H10 (94.07824600000001)


1-Methyl-1,3-cyclohexadiene is a flavouring ingredien Flavouring ingredient

   

2-Methyl-1,3-cyclohexadiene

1,3-cyclohexadiene, 2-methyl-

C7H10 (94.07824600000001)


2-Methyl-1,3-cyclohexadiene is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")

   

(3E,5Z)-1,3,5-Heptatriene

(3E,5E)-hepta-1,3,5-triene

C7H10 (94.07824600000001)


(3E,5Z)-1,3,5-Heptatriene belongs to the class of organic compounds known as alkatrienes. These are hydrocarbons that contain exactly three carbon-to-carbon double bonds.

   

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)


   

Oxepin

Oxepenes

C6H6O (94.0418626)


   
   

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)


   
   

Propylene chlorohydrin

beta-Chloropropyl alcohol

C3H7ClO (94.0185402)


   

lemon hexadiene

1-Methyl-1,3-cyclohexadiene

C7H10 (94.07824600000001)


   

4,5-Dihydrotoluene

1,3-Cyclohexadiene, 3-methyl

C7H10 (94.07824600000001)


   

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].

   

1,1-DIFLUOROACETONE

1,1-DIFLUOROACETONE

C3H4F2O (94.0230198)


   
   
   

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

   
   

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)


   

1,4-butane-1,1,4,4-d4-diol

1,4-butane-1,1,4,4-d4-diol

C4H6D4O2 (94.093184712)


   

Lithium 2-methyl-2-butoxide,Lithium tert-amylate,Lithium tert-pentoxide,Lithium tert-pentyloxide

Lithium 2-methyl-2-butoxide,Lithium tert-amylate,Lithium tert-pentoxide,Lithium tert-pentyloxide

C5H11LiO (94.09699060000001)


   
   

lithium,2-methylpropanoate

lithium,2-methylpropanoate

C4H7LiO2 (94.0606072)


   

Ethoxychloromethane

Ethoxychloromethane

C3H7ClO (94.0185402)


   

1,4-(2,2,3,3-2H4)Butanediol

1,4-(2,2,3,3-2H4)Butanediol

C4H6D4O2 (94.093184712)


   

boron silicide

boron silicide

B6Si (94.032758)


   

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

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

C3H2N4 (94.0279452)


   
   

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-(2H3)Methyl(3,3,3-2H3)propanoic acid

2-(2H3)Methyl(3,3,3-2H3)propanoic acid

C4H2D6O2 (94.09008986799999)


   

Oxazole-5-carbonitrile

Oxazole-5-carbonitrile

C4H2N2O (94.0167122)


   
   

1-Chloro-2-propanol

1-Chloro-2-propanol

C3H7ClO (94.0185402)


   
   

1,4-Cyclohexadiene,1-methyl-

1,4-Cyclohexadiene,1-methyl-

C7H10 (94.07824600000001)


   

lithium pyruvate

lithium pyruvate

C3H3LiO3 (94.0242238)


   
   
   
   

Bicyclo[2.2.1]hept-2-ene

Bicyclo[2.2.1]hept-2-ene

C7H10 (94.07824600000001)


   

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)


   
   

1,1,2,2,2-pentadeuterioethyl carbamate

1,1,2,2,2-pentadeuterioethyl carbamate

C3H2D5NO2 (94.07906209)


   

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)


   

CHLOROPROPANOL, MIXED ISOMERS

CHLOROPROPANOL, MIXED ISOMERS

C3H7ClO (94.0185402)


   
   
   

1-Chloro-2-methoxyethane

1-Chloro-2-methoxyethane

C3H7ClO (94.0185402)


   

1,3-Bis(methylene)cyclopentane

1,3-Bis(methylene)cyclopentane

C7H10 (94.07824600000001)


   

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)


   

1,2-Propanediol,3-fluoro-

1,2-Propanediol,3-fluoro-

C3H7FO2 (94.0430054)


   
   
   
   

(E,Z)-1,3,5-Heptatriene

(E,Z)-1,3,5-Heptatriene

C7H10 (94.07824600000001)


   

1,3-Cyclopentadiene, 5-ethyl

1,3-Cyclopentadiene, 5-ethyl

C7H10 (94.07824600000001)


   

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].

   

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

   

(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)


   

Benzene oxide

Benzene oxide

C6H6O (94.0418626)


   
   

2-Methyl-1,3-cyclohexadiene

2-Methyl-1,3-cyclohexadiene

C7H10 (94.07824600000001)


   
   

4-vinyl-imidazole

NA

C5H6N2 (94.05309559999999)


{"Ingredient_id": "HBIN010934","Ingredient_name": "4-vinyl-imidazole","Alias": "NA","Ingredient_formula": "C5H6N2","Ingredient_Smile": "C=CC1=CN=CN1","Ingredient_weight": "94.11 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32931","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "271079","DrugBank_id": "NA"}

   

2-vinylfuran

2-vinylfuran

C6H6O (94.0418626)


   

bicyclo[3.2.0]hept-6-ene

bicyclo[3.2.0]hept-6-ene

C7H10 (94.07824600000001)


   

4-methylbicyclo[3.1.0]hex-2-ene

4-methylbicyclo[3.1.0]hex-2-ene

C7H10 (94.07824600000001)


   

6-methylidenebicyclo[3.1.0]hexane

6-methylidenebicyclo[3.1.0]hexane

C7H10 (94.07824600000001)