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Details of Arabitol (5TMS)

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Role Analyte
nameArabitol (5TMS)
MPIMP IDA171012
isotopomerambient
formulaC20H52O5Si5
molecular mass513.052
monoisotopic mass512.26611
InChIInChI=1S/C20H52O5Si5/c1-26(2,3)21-16-18(23-28(7,8)9)20(25-30(13,14)15)19(24-29(10,11)12)17-22-27(4,5)6/h18-20H,16-17H2,1-15H3/t18-,19-/m1/s1
InChIKeySUZLPERYXSOGNY-RTBURBONSA-N
substructure TMS5
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)1,707.57
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%2727bccceb-7c09-4cb7-a5ab-891e281ca4da%27)

Synonyms of Arabitol (5TMS)

Metabolite mapped to Arabitol (5TMS)

metabolitestereoisomerisotopomer
ArabitolL- ambient
ArabitolDL- ambient
ArabitolD-(+)- ambient
3 metabolite(s)

Reference spectra of Arabitol (5TMS)

replicaentry datedetectionmethodspecies
146/5/2013 12:39:00 PM MRI_2013 
111/14/2003 12:00:00 AM M[2]Arabidopsis thaliana
212/23/2003 12:00:00 AM M[2]Ovis aries
35/12/2005 12:00:00 AM M[NIST] 
41/25/2005 12:00:00 AM M[MOR] 
511/26/2004 12:00:00 AM M[FAME4090]Standard
1011/3/2010 4:23:40 PM Schomburg_GC_2010 
113/30/2011 4:52:37 PM Fiehn_GC_2010 
62/22/2005 12:00:00 AM M[STR] 
128/28/2012 5:51:49 PM MassBank GC 2010 Tsujimoto 
14 spectrum(a)
    of 2    
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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