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Details of Scopolamine (1TMS)

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Role Analyte
nameScopolamine (1TMS)
MPIMP IDA242011
isotopomerambient
formulaC20H29NO4Si
molecular mass375.535
monoisotopic mass375.18659
InChIInChI=1S/C20H29NO4Si/c1-21-16-10-14(11-17(21)19-18(16)25-19)24-20(22)15(12-23-26(2,3)4)13-8-6-5-7-9-13/h5-9,14-19H,10-12H2,1-4H3
InChIKeyKYAGWQUTVDHVGQ-UHFFFAOYSA-N
substructure TMS1
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)2,425.8
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%275aeb29de-ed1b-4fc0-81d3-bcce748701c7%27)

Synonyms of Scopolamine (1TMS)

propertyvalue
ChemSpider ID509931
PubChem CID586648
synonymB000987
synonymScopolamine (1TMS)
4 synonym(s)

Metabolite mapped to Scopolamine (1TMS)

metabolitestereoisomerisotopomer
Scopolamine  ambient
1 metabolite(s)

Reference spectra of Scopolamine (1TMS)

replicaentry datedetectionmethodspecies
17/19/2007 11:16:30 AM VAR5Reference Substance
27/19/2007 11:16:30 AM VAR5Reference Substance
37/19/2007 11:16:30 AM MDN35Reference 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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