Metabolomics Structure Database

 
MW REGNO: 130225
Common Name:2-Methylpentane
Systematic Name:2-methylpentane
Synonyms: [PubChem Synonyms]
Exact Mass:
86.1095 (neutral)    Calculate m/z:
Formula:C6H14
InChIKey:AFABGHUZZDYHJO-UHFFFAOYSA-N
ClassyFire superclass:Hydrocarbons [C0002837]
ClassyFire class:Saturated hydrocarbons [C0004474]
ClassyFire subclass:Alkanes [C0002500]
ClassyFire direct parent:Branched alkanes [C0004620]
Massbank MS spectra:View MS spectra
SMILES:CCCC(C)C
Studies:Available studies(via PubChem CID)

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References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y

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