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Details of Cholesterol (1TMS)

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Role Analyte
nameCholesterol (1TMS)
MPIMP IDA319002
isotopomerambient
formulaC30H54OSi
molecular mass458.836
monoisotopic mass458.39439
InChIInChI=1S/C30H54OSi/c1-21(2)10-9-11-22(3)26-14-15-27-25-13-12-23-20-24(31-32(6,7)8)16-18-29(23,4)28(25)17-19-30(26,27)5/h12,21-22,24-28H,9-11,13-20H2,1-8H3/t22-,24?,25+,26-,27+,28+,29+,30-/m1/s1
InChIKeyCBVJJGRSRFXUPK-HBOBSPHKSA-N
substructure TMS1
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)3,188.14
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%2731e76c55-8a83-454b-9e85-bd4773ec456c%27)

Synonyms of Cholesterol (1TMS)

Metabolite mapped to Cholesterol (1TMS)

metabolitestereoisomerisotopomer
Cholesterol(3.beta.)- ambient
1 metabolite(s)

Reference spectra of Cholesterol (1TMS)

replicaentry datedetectionmethodspecies
16/1/2003 12:00:00 AM M[2]Markhamia acuminata
25/1/2003 12:00:00 AM M[2]Newbouldia laevis (P. Beauv.) Seem. ex Bureau
193/30/2011 4:52:37 PM Fiehn_GC_2010 
35/12/2005 12:00:00 AM M[NIST] 
51/1/2003 12:00:00 AM M[2]Standard
611/26/2004 12:00:00 AM M[FAME4090]Standard
79/16/2004 12:00:00 AM M[2]Reference Substance
812/23/2003 12:00:00 AM M[2]Ovis aries
95/12/2005 12:00:00 AM M[NIST] 
105/1/2001 12:00:00 AM M[EIGTMS]Solanum tuberosum
18 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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