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Details of Hexanoic-acid_1TMS

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Role	Analyte
name	Hexanoic-acid_1TMS
MPIMP ID	A129013
isotopomer	ambient
formula
molecular mass
monoisotopic mass
InChI
InChIKey
substructure TMS
substructure TBS
substructure H3ON
substructure CH3O
retention index (VAR5 method, n-alkanes C10–C36)
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27d3c6a9d9-5d92-4765-a497-2e01f3a95395%27)

Synonyms of Hexanoic-acid_1TMS

property	value
Manual Match [JKopka]	937\|Hexanoic acid pentyl ester\|NIST08\|CAS#540-07-8\|needs reference experiment
synonym	Hexanoic-acid_1TMS
2 synonym(s)

Metabolite mapped to Hexanoic-acid_1TMS

metabolite	stereoisomer	isotopomer
Hexanoic acid	n-	ambient
1 metabolite(s)

Reference spectra of Hexanoic-acid_1TMS

replica	entry date	detection	method	species
no spectra available!

compound timestamp information
deposited	at 2/24/2011 by Kopka J., Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), 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	Kopka J., Hummel J.

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