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Details of Perillic aldehyde (1MEOX)

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Role	Analyte
name	Perillic aldehyde (1MEOX)
MPIMP ID	A139017
isotopomer	ambient
formula	C11H17NO
molecular mass	179.259
monoisotopic mass	179.13101
InChI	InChI=1S/C11H17NO/c1-9(2)11-6-4-10(5-7-11)8-12-13-3/h4,8,11H,1,5-7H2,2-3H3/b12-8+
InChIKey	IDDMKZRMJBEAHF-XYOKQWHBSA-N
substructure TMS
substructure TBS	0
substructure H3ON
substructure CH3O
retention index (VAR5 method, n-alkanes C10–C36)	1,398.92
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%278ea72e01-7d47-4ca0-a7eb-fa5ba4cbb0af%27)

Synonyms of Perillic aldehyde (1MEOX)

property	value
synonym	B000811
synonym	Perillic aldehyde (1MEOX)
2 synonym(s)

Metabolite mapped to Perillic aldehyde (1MEOX)

metabolite	stereoisomer	isotopomer
Perillic aldehyde		ambient
1 metabolite(s)

Reference spectra of Perillic aldehyde (1MEOX)

replica	entry date	detection	method	species
1	7/19/2007 11:16:30 AM		VAR5	Reference Substance
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.

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