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Details of Synephrine (3TMS)

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Role Analyte
nameSynephrine (3TMS)
MPIMP IDA181013
isotopomerambient
formulaC18H37NO2Si3
molecular mass383.749
monoisotopic mass383.21321
InChIInChI=1S/C18H37NO2Si3/c1-19(22(2,3)4)15-18(21-24(8,9)10)16-11-13-17(14-12-16)20-23(5,6)7/h11-14,18H,15H2,1-10H3
InChIKeyJNFYKVILTXHEJH-UHFFFAOYSA-N
substructure TMS3
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)1,814.29
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27e5296bf4-bd64-4812-8e12-44d8a97a762d%27)

Synonyms of Synephrine (3TMS)

propertyvalue
synonymB001041
synonymSynephrine (3TMS)
2 synonym(s)

Metabolite mapped to Synephrine (3TMS)

metabolitestereoisomerisotopomer
Synephrine  ambient
1 metabolite(s)

Reference spectra of Synephrine (3TMS)

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