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Details of Sitosterol, beta- (1TMS)

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Role Analyte
nameSitosterol, beta- (1TMS)
MPIMP IDA338002
isotopomerambient
formulaC32H58OSi
molecular mass486.889
monoisotopic mass486.42569
InChIInChI=1S/C32H58OSi/c1-10-24(22(2)3)12-11-23(4)28-15-16-29-27-14-13-25-21-26(33-34(7,8)9)17-19-31(25,5)30(27)18-20-32(28,29)6/h13,22-24,26-30H,10-12,14-21H2,1-9H3/t23-,24-,26?,27+,28-,29+,30+,31+,32-/m1/s1
InChIKeyXEWVATFZTBNDCF-JVZNPHIBSA-N
substructure TMS1
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)3,385.83
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%278fd18f97-add1-44df-b5f7-4fab5dfe16bb%27)

Synonyms of Sitosterol, beta- (1TMS)

propertyvalue
ChemSpider ID20045994
PubChem CID582434
2 synonym(s)

Metabolite mapped to Sitosterol, beta- (1TMS)

metabolitestereoisomerisotopomer
beta-Sitosterolbeta- ambient
1 metabolite(s)

Reference spectra of Sitosterol, beta- (1TMS)

replicaentry datedetectionmethodspecies
15/1/2003 12:00:00 AM M[2]Newbouldia laevis (P. Beauv.) Seem. ex Bureau
212/23/2003 12:00:00 AM M[2]Ovis aries
31/25/2005 12:00:00 AM M[MOR] 
45/1/2001 12:00:00 AM M[EIGTMS]Standard Addition
57/19/2007 11:16:30 AM MDN35Reference Substance
66/1/2003 12:00:00 AM M[2]Markhamia acuminata
71/1/2003 12:00:00 AM M[2]Standard
85/12/2005 12:00:00 AM M[NIST] 
97/19/2007 11:16:30 AM VAR5Reference Substance
101/22/2005 12:00:00 AM M[ROE] 
12 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.
service last updated 17/02/2017 © 2008-2014 Golm Metabolome Database - All rights reserved
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