Exact Mass: 80.002891

Exact Mass Matches: 80.002891

Found 57 metabolites which its exact mass value is equals to given mass value 80.002891, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Pyrimidine

Pyrimidine dimer

C4H4N2 (80.0374464)


Pyrimidine is a heterocyclic aromatic organic compound similar to benzene and pyridine, containing two nitrogen atoms at positions 1 and 3 of the six-member ring. Pyrimidines are heterocyclic, six-membered, nitrogen-containing carbon ring structures, with uracil, cytosine and thymine being the basal structures of ribose-containing nucleosides (uridine, cytidine and thymidine respectively), or deoxyribose-containing deoxynucleosides, and their corresponding ribonucleotides or deoxyribonucleotides. Pyrimidines serve essential functions in human metabolism as ribonucleotide bases in RNA (uracil and cytosine), and as deoxyribonucleotide bases in DNA (cytosine and thymine), and are linked by phosphodiester bridges to purine nucleotides in double-stranded DNA, in both the nucleus and the mitochondria. Pyrimidine activated sugars are also involved in polysaccharide and phospholipid synthesis, glucuronidation in detoxification processes, glycosylation of proteins and lipids and in the recently identified novel endothelium-derived vasoactive dinucleotides. Pyrimidines are synthesized de novo from simple precursors. Synthesis occurs in six steps, with cellular compartmentalization of specific steps in the cytosol or mitochondria, enabling changes in metabolic rate with need. Pyrimidine synthesis differs from purine synthesis, in that the single pyrimidine ring is assembled first and is then linked to ribose phosphate to form UMP. The enzymes that catalyse UMP synthesis, CAD [carbamoylphosphate synthetase II (CPSII), aspartate transcarbamoylase (ATCasea) and dihydroorotase (DHOase)], dihydroorotate dehydrogenase (DHODH) and uridine monophosphate synthase (UMPS), are encoded by only three genes - CAD, DHODH and UMPS (chromosomal locations 2p21, 16q22 and 3q13, respectively). (PMID:16098809). Pyrimidine is a heterocyclic aromatic organic compound similar to benzene and pyridine, containing two nitrogen atoms at positions 1 and 3 of the six-member ring. Pyrimidines are heterocyclic, six-membered, nitrogen-containing carbon ring structures, with uracil, cytosine and thymine being the basal structures of ribose-containing nucleosides (uridine, cytidine and thymidine respectively), or deoxyribose-containing deoxynucleosides, and their corresponding ribonucleotides or deoxyribonucleotides. Pyrimidines serve essential functions in human metabolism as ribonucleotide bases in RNA (uracil and cytosine), and as deoxyribonucleotide bases in DNA (cytosine and thymine), and are linked by phosphodiester bridges to purine nucleotides in double-stranded DNA, in both the nucleus and the mitochondria. Pyrimidine activated sugars are also involved in polysaccharide and phospholipid synthesis, glucuronidation in detoxification processes, glycosylation of proteins and lipids and in the recently identified novel endothelium-derived vasoactive dinucleotides. Pyrimidine is an endogenous metabolite.

   

2-Chloroethanol

beta-Chloroethyl alcohol

C2H5ClO (80.002891)


   

Chloromethyl methyl ether

Chloromethyl methyl ether (technical grade)

C2H5ClO (80.002891)


Chloromethyl methyl ether is used to modify ion-exchange membranes used in the production of grapefruit juic

   

Methanesulfinic acid

Methanesulfinic acid

CH4O2S (79.9932004)


   

Pyrazine

1, 4-Diazabenzene

C4H4N2 (80.0374464)


Pyrazine is found in fenugreek. Pyrazine is a maillard product In the Staedel-Rugheimer pyrazine synthesis (1876) 2-chloroacetophenone is reacted with ammonia to the amino ketone, then condensed and then oxidized to a pyrazine A variation is the Gutknecht Pyrazine Synthesis (1879) also based on this selfcondensation but differing in the way the alpha-ketoamine is synthesised (the chlorine compound in the above method is a lachrymatory agent); Pyrazine is a heterocyclic aromatic organic compound. Pyrazine is a symmetrical molecule with point group D2h. It is found in folic acid in the form of pterin. Derivatives like Phenazine are well known for their antitumor, antibiotic and diuretic activity. Pyrazine is less basic in nature than pyridine, pyridazine and pyrimidine. Tetramethylpyrazine (also known as ligustrazine) is reported to scavenge superoxide anion and decrease nitric oxide production in human polymorphonuclear leukocytes. Tetramethylpyrazine is also a component of some herbs in Traditional Chinese Medicine. Maillard product

   

Methanedithiol

dimercaptomethane

CH4S2 (79.9754424)


Component of mushroom and onion flavour. Methanedithiol is found in mushrooms and onion-family vegetables. Methanedithiol is found in mushrooms. Methanedithiol is a component of mushroom and onion flavour.

   

Chlorocarbonic acid

Carbonochloridic acid

CHClO2 (79.9665076)


   

Fumaryl

buta-1,2,3-triene-1,4-dione

C4O2 (79.98983)


   

Mesoxalonitrile

Oxopropanedinitrile

C3N2O (80.001063)


   

Metaphosphoric acid

Metaphosphoric acid

HO3P (79.9663326)


   

Methanesulfinic acid

Methanesulfinic acid, sodium salt

CH4O2S (79.9932004)


   

Methylene-imidazole

2-methylidene-2H-imidazole

C4H4N2 (80.0374464)


   

Pyridazin

1,2-Diazabenzene

C4H4N2 (80.0374464)


   

Succinonitrile

butanedinitrile

C4H4N2 (80.0374464)


   

Sulfur trioxide

Sulfur trioxide, ion (1-)

O3S (79.956817)


   

Tricyclo[1.1.0.02,4]butane-1-carbaldehyde

tricyclo[1.1.0.0^{2,4}]butane-1-carbaldehyde

C5H4O (80.0262134)


   

Metaphosphoric acid

meta-Phosphoric acid

HO3P (79.9663326)


   

Dinitrile-Succinic acid,

Dinitrile-Succinic acid,

C4H4N2 (80.0374464)


   

PYRIMIDINE

PYRIMIDINE

C4H4N2 (80.0374464)


The parent compound of the pyrimidines; a diazine having the two nitrogens at the 1- and 3-positions. Pyrimidine is an endogenous metabolite.

   
   
   

Formimidamide hydrochloride

Formimidamide hydrochloride

CH5ClN2 (80.014124)


   

Succinonitrile

Succinonitrile

C4H4N2 (80.0374464)


   

1,4-Pentadiyn-3-ol

1,4-Pentadiyn-3-ol

C5H4O (80.0262134)


   
   
   
   
   

15N ammonium salt

15N ammonium salt

H4N2O3 (80.0221914)


   

azane,nitric acid

azane,nitric acid

H4N2O3 (80.0221914)


   

FLUOROACETYL FLUORIDE

FLUOROACETYL FLUORIDE

C2H2F2O (80.0073706)


   

Chloromethyl silane

Chloromethyl silane

CH5ClSi (79.984904)


   

2-methylmalononitrile

2-methylmalononitrile

C4H4N2 (80.0374464)


   
   

sulfur trioxide

sulfur trioxide

O3S (79.956817)


   
   
   
   

Ammonium nitrate -15N2

Ammonium nitrate -15N2

H4N2O3 (80.0221914)


   

Ammonium nitrate

Ammonium nitrate

H4N2O3 (80.0221914)


D016573 - Agrochemicals > D005308 - Fertilizers D053834 - Explosive Agents

   
   

Arsorane

Arsorane

AsH5 (79.960719)


   
   

Hydrogenphosphite

Hydrogenphosphite

HO3P-2 (79.9663326)


   

Sulfuramidimidous acid

Sulfuramidimidous acid

H4N2OS (80.0044334)


   

Calcium carbimide

Calcium carbimide

CCaN2 (79.968739)


N - Nervous system > N07 - Other nervous system drugs > N07B - Drugs used in addictive disorders > N07BB - Drugs used in alcohol dependence

   

Sulfite

Sulfite

O3S-2 (79.956817)


   

2-Chloroethylaminium

2-Chloroethylaminium

C2H7ClN+ (80.0266992)


   

CID 6857651

CID 6857651

HO3P- (79.9663326)


   

CID 6857671

CID 6857671

O3S- (79.956817)


   

2-chloroethanol

2-chloroethanol

C2H5ClO (80.002891)


A chloroethanol carrying a chloro substituent at position 2.

   

CHLOROMETHYL METHYL ETHER

CHLOROMETHYL METHYL ETHER

C2H5ClO (80.002891)


   

Sulfite

Sulfite

O3S (79.956817)


A sulfur oxoanion that is the conjugate base of hydrogen sulfite (H2SO3).

   

PYRAZINE

PYRAZINE

C4H4N2 (80.0374464)


A diazine that is benzene in which the carbon atoms at positions 1 and 4 have been replaced by nitrogen atoms.

   

Mesoxalonitrile

Mesoxalonitrile

C3N2O (80.001063)


   

Chlorocarbonic acid

Chlorocarbonic acid

CHClO2 (79.9665076)


   

Chloroethanol

Chloroethanol

C2H5ClO (80.002891)