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Details of Phenylacetaldehyde (1MEOX) MP

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Role Analyte
namePhenylacetaldehyde (1MEOX) MP
MPIMP IDA119007
isotopomerambient
formulaC9H11NO
molecular mass149.190
monoisotopic mass149.08406
InChIInChI=1S/C9H11NO/c1-11-10-8-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3/b10-8+
InChIKeyNICHQMGWWYWONX-CSKARUKUSA-N
substructure TMS 
substructure TBS0
substructure H3ON 
substructure CH3O 
retention index (VAR5 method, n-alkanes C10–C36)1,192.51
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27c01ac257-a924-4a81-9f1f-c723f60c34ec%27)

Synonyms of Phenylacetaldehyde (1MEOX) MP

propertyvalue
ChemSpider ID21377921
synonymB000819
synonymPhenylacetaldehyde (1MEOX) MP
3 synonym(s)

Metabolite mapped to Phenylacetaldehyde (1MEOX) MP

Reference spectra of Phenylacetaldehyde (1MEOX) MP

replicaentry datedetectionmethodspecies
211/3/2010 4:22:30 PM Schomburg_GC_2010 
33/30/2011 4:52:37 PM Fiehn_GC_2010 
17/19/2007 11:16:30 AM VAR5Reference Substance
3 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 8/11/2011 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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