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Details of Xylulose (4TMS)

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Role Analyte
nameXylulose (4TMS)
MPIMP IDA169002
isotopomerambient
formulaC17H42O5Si4
molecular mass438.855
monoisotopic mass438.21093
InChIInChI=1S/C17H42O5Si4/c1-23(2,3)19-14-17(22-26(10,11)12)16(21-25(7,8)9)15(13-18-17)20-24(4,5)6/h15-16H,13-14H2,1-12H3
InChIKeyAPQKDYOCVZXJBM-UHFFFAOYSA-N
substructure TMS4
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)1,690.12
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27e382c06e-7dab-420c-8fd6-e7e73b5a0383%27)

Synonyms of Xylulose (4TMS)

Metabolite mapped to Xylulose (4TMS)

metabolitestereoisomerisotopomer
XyluloseDL- ambient
XyluloseD- ambient
2 metabolite(s)

Reference spectra of Xylulose (4TMS)

replicaentry datedetectionmethodspecies
311/3/2010 4:22:37 PM Schomburg_GC_2010 
22/22/2005 12:00:00 AM M[STR] 
2 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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