Exact Mass: 100.1308

Exact Mass Matches: 100.1308

Found 23 metabolites which its exact mass value is equals to given mass value 100.1308, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

N-Heptane

N-Heptane, ion (1+)

C7H16 (100.1252)


N-Heptane, also known as heptan or CH3-[CH2]5-CH3, 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, N-heptane is considered to be a hydrocarbon lipid molecule. N-Heptane is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. N-Heptane is a sweet, alkane, and ethereal tasting compound. N-heptane has been detected, but not quantified, in cardamoms and gingers. This could make N-heptane a potential biomarker for the consumption of these foods. This is done by shaking the stained paper in a heptane solution for about half a minute. N-Heptane is a potentially toxic compound. It was originally chosen as the zero point of the scale because of the availability of very high purity n-heptane, unmixed with other isomers of heptane or other alkanes, distilled from the resin of Jeffrey pine and from the fruit of Pittosporum resiniferum. As a liquid, it is ideal for transport and storage. The 2,2-dimethylpentane isomer can be prepared by reacting tert-butyl chloride with n-propyl magnesium bromide. The linear n-heptane can be obtained from Jeffrey pine oil. In water, both bromine and iodine appear brown. n-Heptane is the straight-chain alkane with the chemical formula H3C(CH2)5CH3 or C7H16. Heptane is an alkane hydrocarbon with the chemical formula CH3(CH2)8CH3. Heptane has 9 isomers, or 11 if enantiomers are counted. N-Heptane is found in cardamom and ginger.

   

2-Methylhexane

2-METHYLHEXANE

C7H16 (100.1252)


   

2,4-Dimethylpentane

2,4-DIMETHYLPENTANE

C7H16 (100.1252)


   

3-Methylhexane

3-Methyl-hexane

C7H16 (100.1252)


   

2,4-DIMETHYLPENTANE

2,4-DIMETHYLPENTANE

C7H16 (100.1252)


   

3-ETHYLPENTANE

3-ETHYLPENTANE

C7H16 (100.1252)


An alkane that is pentane substituted by an ethyl group at position 3.

   

isoheptane

2-METHYLHEXANE

C7H16 (100.1252)


   

3,3-DIMETHYLPENTANE

3,3-DIMETHYLPENTANE

C7H16 (100.1252)


   

3-METHYLHEXANE

3-METHYLHEXANE

C7H16 (100.1252)


An alkane that is hexane substituted by a methyl group at position 3.

   

2,3-DIMETHYLPENTANE

2,3-DIMETHYLPENTANE

C7H16 (100.1252)


An alkane that is pentane substituted by a methyl group at positions 2 and 3.

   

2,2-DIMETHYLPENTANE

2,2-DIMETHYLPENTANE

C7H16 (100.1252)


   

2,2,3-TRIMETHYLBUTANE

2,2,3-TRIMETHYLBUTANE

C7H16 (100.1252)


   

N-Heptane

Dipropyl methane

C7H16 (100.1252)


A straight-chain alkane with seven carbon atoms. It has been found in Jeffrey pine (Pinus jeffreyi).

   

1,4-(2H8)Butane(2H2)diol

1,4-(2H8)Butane(2H2)diol

C4D10O2 (100.1308)


   

(r)-(+)-2,3-Dimethylpentane

(r)-(+)-2,3-Dimethylpentane

C7H16 (100.1252)


   

(S)-2,3-dimethylpentane

(S)-2,3-dimethylpentane

C7H16 (100.1252)


   

FR-2384

Hexane, 2-methyl-

C7H16 (100.1252)


   

Eptani

InChI=1\C7H16\c1-3-5-7-6-4-2\h3-7H2,1-2H

C7H16 (100.1252)


   

617-78-7

InChI=1\C7H16\c1-4-7(5-2)6-3\h7H,4-6H2,1-3H

C7H16 (100.1252)


   

FR-2352

InChI=1\C7H16\c1-6(2)5-7(3)4\h6-7H,5H2,1-4H

C7H16 (100.1252)


   

(3R)-2,3-dimethylpentane

(3R)-2,3-dimethylpentane

C7H16 (100.1252)


The (R)-enantiomer of 2,3-dimethylpentane.

   

(3S)-2,3-dimethylpentane

(3S)-2,3-dimethylpentane

C7H16 (100.1252)


The (S)-enantiomer of 2,3-dimethylpentane.

   

Ethylpentane

Ethylpentane

C7H16 (100.1252)