Exact Mass: 114.1408
Exact Mass Matches: 114.1408
Found 42 metabolites which its exact mass value is equals to given mass value 114.1408,
within given mass tolerance error 0.001 dalton. Try search metabolite list with more accurate mass tolerance error
0.0002 dalton.
Octane
Octane, also known as N-oktanis a hydrocarbon and an alkane with the chemical formula C8H18, and the condensed structural formula CH3(CH2)6CH3. Octane has many structural isomers that differ by the amount and location of branching in the carbon chain. One of these isomers, 2,2,4-trimethylpentane (commonly called iso-octane) is used as one of the standard values in the octane rating scale. Octane belongs to the class of organic compounds known as alkanes. These are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2, and therefore consisting entirely of hydrogen atoms and saturated carbon atoms. Thus, octane is considered to be a hydrocarbon lipid molecule. Octane is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Octane is an alkane and gasoline tasting compound. Outside of the human body, octane has been detected, but not quantified in several different foods, such as pepper (Capsicum annuum), celery stalks, cauliflowers, alcoholic beverages, and corns. One of the isomers, 2,2,4-trimethylpentane or isooctane, is of major importance, as it has been selected as the 100 point on the octane rating scale, with n-heptane as the zero point. Octane is an alkane with the chemical formula C8H18. Octane is a potentially toxic compound. Treatment is mainly symptomatic and supportive. It has 18 isomers. Octane ratings are ratings used to represent the anti-knock performance of petroleum-based fuels (octane is less likely to prematurely combust under pressure than heptane), given as the percentage of 2,2,4-trimethylpentane in an 2,2,4-trimethylpentane / n-heptane mixture that would have the same performance. Found in hop oil
3,3-Dimethylhexane
3,3-Dimethylhexane belongs to the class of organic compounds known as branched alkanes. These are acyclic branched hydrocarbons having the general formula CnH2n+2. 3,3-Dimethylhexane is possibly neutral. 3,3-Dimethylhexane has been detected, but not quantified, in herbs and spices and tea. 3,3-Dimethylhexane is a potentially toxic compound. Volatile hydrocarbons are absorbed mainly through the lungs, and may also enter the body after ingestion via aspiration. Treatment is mainly symptomatic and supportive. Gastric lavage, emesis, and the administration of activated charcoal should be avoided, as vomiting increases the risk of aspiration. 3,3-Dimethylhexane is present in petroleum distillates. Petroleum distillates are also irritating to the skin. Petroleum distillate poisoning may cause nausea, vomiting, cough, pulmonary irritation progressing to pulmonary edema, bloody sputum, and bronchial pneumonia. Petroleum distillates are aspiration hazards and may cause pulmonary damage, central nervous system depression, and cardiac effects such as cardiac arrhythmias. They may also affect the blood, immune system, liver, and kidney. At high amounts, central nervous system depression may also occur, with symptoms such as weakness, dizziness, slow and shallow respiration, unconsciousness, and convulsions.
3-Methylheptane
3-Methylheptane belongs to the class of organic compounds known as branched alkanes. These are acyclic branched hydrocarbons having the general formula CnH2n+2. 3-Methylheptane is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Thus, 3-methylheptane is considered to be a hydrocarbon lipid molecule. 3-Methylheptane has been detected, but not quantified, in a few different foods, such as herbs and spices, pulses, and tea. This could make 3-methylheptane a potential biomarker for the consumption of these foods.
xi-2,3-Dimethylhexane
xi-2,3-Dimethylhexane belongs to the class of organic compounds known as branched alkanes. These are acyclic branched hydrocarbons having the general formula CnH2n+2. Petroleum distillates are also irritating to the skin. xi-2,3-Dimethylhexane is possibly neutral. XI-2,3-dimethylhexane has been detected, but not quantified, in fruits. This could make XI-2,3-dimethylhexane a potential biomarker for the consumption of these foods. Gastric lavage, emesis, and the administration of activated charcoal should be avoided, as vomiting increases the risk of aspiration. No indication of carcinogenicity to humans (not listed by IARC). xi-2,3-Dimethylhexane is a potentially toxic compound. Volatile component of starfruit. xi-2,3-Dimethylhexane is found in fruits.
2-Methylheptane
2-methylheptane is a member of the class of compounds known as branched alkanes. Branched alkanes are acyclic branched hydrocarbons having the general formula CnH2n+2. Thus, 2-methylheptane is considered to be a hydrocarbon lipid molecule. 2-methylheptane can be found in black elderberry, which makes 2-methylheptane a potential biomarker for the consumption of this food product. 2-methylheptane can be found primarily in saliva. 2-methylheptane is a non-carcinogenic (not listed by IARC) potentially toxic compound. 2-methylheptane is a branched alkane isomeric to octane. Its structural formula is (CH3)2CH(CH2)4CH3 . Treatment is mainly symptomatic and supportive. Gastric lavage, emesis, and the administration of activated charcoal should be avoided, as vomiting increases the risk of aspiration (A600) (T3DB). 2-Methylheptane belongs to the class of organic compounds known as branched alkanes. These are acyclic branched hydrocarbons having the general formula CnH2n+2. 2-Methylheptane is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Thus, 2-methylheptane is considered to be a hydrocarbon lipid molecule. 2-Methylheptane has been detected, but not quantified, in black elderberries. This could make 2-methylheptane a potential biomarker for the consumption of these foods. 2-Methylheptane is a potentially toxic compound. 2-Methylheptane is a branched alkane isomeric to octane.
4-METHYLHEPTANE
A branched C8 alkane, comprising heptane with a methyl group attached at C-4. It has been found in Amaranth seeds.
2,4-DIMETHYLHEXANE
An alkane that is hexane carrying a methyl group at positions 2 and 4.
2,3,3-trimethylpentane
A branched alkane that is pentane carrying one methyl group at positions 2, and two methyl groups at position 3.
2,3,4-trimethylpentane
An alkane that is pentane substituted by a methyl group at positions 2,3 and 4. It is a constituent of gasoline.
