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Details of Coumarin, 7-hydroxy-4-methyl- (1TMS)

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Role Analyte
nameCoumarin, 7-hydroxy-4-methyl- (1TMS)
MPIMP IDA200020
isotopomerambient
formulaC13H16O3Si
molecular mass248.350
monoisotopic mass248.08687
InChIInChI=1S/C13H16O3Si/c1-9-7-13(14)15-12-8-10(5-6-11(9)12)16-17(2,3)4/h5-8H,1-4H3
InChIKeyQHQOZLBDGGWMFA-UHFFFAOYSA-N
substructure TMS 
substructure TBS 
substructure H3ON 
substructure CH3O 
retention index (VAR5 method, n-alkanes C10–C36)1,993.58
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%273fce1ea0-c779-47c3-a5ad-1f96aa76cf6c%27)

Synonyms of Coumarin, 7-hydroxy-4-methyl- (1TMS)

propertyvalue
ChemSpider ID9428710
External IdentificationMassbank_2012
synonymCoumarin, 7-hydroxy-4-methyl- (1TMS)
synonymNA200020
4 synonym(s)

Metabolite mapped to Coumarin, 7-hydroxy-4-methyl- (1TMS)

Reference spectra of Coumarin, 7-hydroxy-4-methyl- (1TMS)

replicaentry datedetectionmethodspecies
58/28/2012 5:51:49 PM MassBank GC 2010 Ara 
68/28/2012 5:51:49 PM MassBank GC 2010 Ara 
38/28/2012 5:51:49 PM MassBank GC 2010 Kusano 
78/28/2012 5:51:49 PM MassBank GC 2010 Ara 
13/30/2011 4:52:37 PM Fiehn_GC_2010 
88/28/2012 5:51:49 PM MassBank GC 2010 Ara 
23/30/2011 4:52:37 PM Fiehn_GC_2010 
48/28/2012 5:51:49 PM MassBank GC 2010 Kusano 
8 spectrum(a)
compound timestamp information
deposited at 3/23/2011 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 10/1/2012 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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