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Details of Pentane, n-

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Role	Analyte
name	Pentane, n-
MPIMP ID	A000421
isotopomer	ambient
formula	C5H12
molecular mass	72.149
monoisotopic mass	72.09390
InChI	InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3
InChIKey	OFBQJSOFQDEBGM-UHFFFAOYSA-N
substructure TMS	0
substructure TBS	0
substructure H3ON	0
substructure CH3O	0
retention index (VAR5 method, n-alkanes C10–C36)
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27d7852ae3-f426-48a4-9160-3ea87b712e1f%27)

Synonyms of Pentane, n-

property	value
CAS	109-66-0
ChemSpider ID	7712
MetaCyc	CPD-9285
synonym	n-Pentane
synonym	Pentane
5 synonym(s)

Metabolite mapped to Pentane, n-

metabolite	stereoisomer	isotopomer
Pentane	n-	ambient
1 metabolite(s)

Reference spectra of Pentane, n-

replica	entry date	detection	method	species
1	5/12/2005 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 8/7/2013 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
modified by users	Hummel J.

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