GOLM METABOLOME DATABASE

Details of Ibuprofen (1TMS)

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Role Analyte
nameIbuprofen (1TMS)
MPIMP IDA000459
isotopomerambient
formula 
molecular mass 
monoisotopic mass 
InChI
InChIKey
substructure TMS 
substructure TBS 
substructure H3ON 
substructure CH3O 
retention index (VAR5 method, n-alkanes C10–C36)1,627.53
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%279b187919-20a8-4a0c-81b7-61ceef26b32f%27)

Synonyms of Ibuprofen (1TMS)

Metabolite mapped to Ibuprofen (1TMS)

metabolitestereoisomerisotopomer
Ibuprofen  ambient
1 metabolite(s)

Reference spectra of Ibuprofen (1TMS)

replicaentry datedetectionmethodspecies
18/28/2012 5:51:49 PM MassBank GC 2010 Ara 
36/5/2013 12:39:00 PM MRI_2013 
28/28/2012 5:51:49 PM MassBank GC 2010 Ara 
18/28/2012 5:51:49 PM MassBank GC 2010 Kusano 
4 spectrum(a)
compound timestamp information
deposited at 8/21/2012 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
last changed at 5/29/2013 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
modified by users Hummel J., Kopka J.
service last updated 17/02/2017 © 2008-2014 Golm Metabolome Database - All rights reserved
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