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Details of Octane, n-

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Role Analyte
nameOctane, n-
MPIMP IDA000424
isotopomerambient
formulaC8H18
molecular mass114.229
monoisotopic mass114.14085
InChI
InChIKey
substructure TMS0
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36) 
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%278f65fabe-99a3-4742-b22b-15da3b96fd3e%27)

Synonyms of Octane, n-

propertyvalue
synonymn-Octane
synonymOctane
2 synonym(s)

Metabolite mapped to Octane, n-

metabolitestereoisomerisotopomer
Octanen- ambient
1 metabolite(s)

Reference spectra of Octane, n-

replicaentry datedetectionmethodspecies
15/12/2005 12:00:00 AM M[NIST] 
1 spectrum(a)
compound timestamp information
deposited at 7/16/2007 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
last changed at 8/9/2011 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
modified by users Hummel J.
service last updated 03/01/2017 © 2008-2014 Golm Metabolome Database - All rights reserved
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