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Details of Gluconic acid (6TMS)

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Role Analyte
nameGluconic acid (6TMS)
MPIMP IDA200001
isotopomerambient
formulaC24H60O7Si6
molecular mass629.242
monoisotopic mass628.29547
InChIInChI=1S/C24H60O7Si6/c1-32(2,3)26-19-20(27-33(4,5)6)21(28-34(7,8)9)22(29-35(10,11)12)23(30-36(13,14)15)24(25)31-37(16,17)18/h20-23H,19H2,1-18H3/t20-,21-,22+,23-/m1/s1
InChIKeyIVIMVRAMMWQMHJ-BXXSPATCSA-N
substructure TMS6
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)1,984.52
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%2705aee292-e223-48b5-b0b6-da88d117139d%27)

Synonyms of Gluconic acid (6TMS)

Metabolite mapped to Gluconic acid (6TMS)

metabolitestereoisomerisotopomer
Gluconic acidD- ambient
Gluconic acidDL- ambient
2 metabolite(s)

Reference spectra of Gluconic acid (6TMS)

replicaentry datedetectionmethodspecies
15/12/2005 12:00:00 AM M[NIST] 
223/30/2011 4:52:37 PM Fiehn_GC_2010 
25/12/2005 12:00:00 AM M[NIST] 
31/25/2005 12:00:00 AM M[MOR] 
410/12/2005 12:00:00 AM M[BAR] 
238/28/2012 5:51:49 PM MassBank GC 2010 Tsujimoto 
510/1/2001 12:00:00 AM M[2]Standard
248/28/2012 5:51:49 PM MassBank GC 2010 Tsujimoto 
69/11/2005 12:00:00 AM M[FAME4090]Standard
75/12/2005 12:00:00 AM M[NIST] 
23 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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