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Details of Cellobiose, D- (8TMS)

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Role Analyte
nameCellobiose, D- (8TMS)
MPIMP IDA278010
isotopomerambient
formulaC36H86O11Si8
molecular mass919.746
monoisotopic mass918.43243
InChIInChI=1S/C36H86O11Si8/c1-48(2,3)37-25-27-29(31(43-51(10,11)12)34(46-54(19,20)21)36(40-27)47-55(22,23)24)41-35-33(45-53(16,17)18)32(44-52(13,14)15)30(42-50(7,8)9)28(39-35)26-38-49(4,5)6/h27-36H,25-26H2,1-24H3/t27-,28-,29-,30-,31+,32+,33-,34-,35+,36+/m1/s1
InChIKeyQJZFVYJIGWEKIR-OPJDJTOASA-N
substructure TMS8
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)2,768.06
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%270de55abb-c8ed-4ce1-81b2-ceee0f1f2559%27)

Synonyms of Cellobiose, D- (8TMS)

Metabolite mapped to Cellobiose, D- (8TMS)

metabolitestereoisomerisotopomer
CellobioseDL- ambient
Cellobiosealpha-, D-(+)- ambient
2 metabolite(s)

Reference spectra of Cellobiose, D- (8TMS)

replicaentry datedetectionmethodspecies
12/22/2005 12:00:00 AM M[STR] 
311/3/2010 4:21:39 PM Schomburg_GC_2010 
25/12/2005 12:00:00 AM M[NIST] 
411/3/2010 4:21:37 PM Schomburg_GC_2010 
4 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 Kopka J., Hummel J.
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