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Details of Scopoletin (1TMS)

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Role Analyte
nameScopoletin (1TMS)
MPIMP IDA206009
isotopomerambient
formulaC13H16O4Si
molecular mass264.350
monoisotopic mass264.08179
InChIInChI=1S/C13H16O4Si/c1-15-11-7-9-5-6-13(14)16-10(9)8-12(11)17-18(2,3)4/h5-8H,1-4H3
InChIKeyNMJKTIAWKZTMIN-UHFFFAOYSA-N
substructure TMS1
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)2,067.01
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%278029f843-e934-4bb9-861f-6f1f725e1653%27)

Synonyms of Scopoletin (1TMS)

propertyvalue
synonymB000989
synonymScopoletin (1TMS)
2 synonym(s)

Metabolite mapped to Scopoletin (1TMS)

Reference spectra of Scopoletin (1TMS)

replicaentry datedetectionmethodspecies
17/19/2007 11:16:30 AM MDN35Reference Substance
27/19/2007 11:16:30 AM VAR5Reference Substance
33/30/2011 4:52:37 PM Fiehn_GC_2010 
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 8/9/2011 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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