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Details of Gluconic acid-1,4-lactone (4TMS)

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Role Analyte
nameGluconic acid-1,4-lactone (4TMS)
MPIMP IDA189013
isotopomerambient
formulaC18H42O6Si4
molecular mass466.865
monoisotopic mass466.20585
InChIInChI=1S/C18H42O6Si4/c1-25(2,3)20-13-14(22-26(4,5)6)15-16(23-27(7,8)9)17(18(19)21-15)24-28(10,11)12/h14-17H,13H2,1-12H3/t14-,15-,16+,17-/m1/s1
InChIKeyFTOCXQVQZOFUDF-WCXIOVBPSA-N
substructure TMS4
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)1,884.94
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27f434d84c-da12-464c-aaca-8167348a61a3%27)

Synonyms of Gluconic acid-1,4-lactone (4TMS)

propertyvalue
ChemSpider ID456536
PubChem CID523382
2 synonym(s)

Metabolite mapped to Gluconic acid-1,4-lactone (4TMS)

Reference spectra of Gluconic acid-1,4-lactone (4TMS)

replicaentry datedetectionmethodspecies
12/22/2005 12:00:00 AM M[STR] 
73/30/2011 4:52:37 PM Fiehn_GC_2010 
116/5/2013 12:39:00 PM MRI_2013 
22/22/2005 12:00:00 AM M[STR] 
98/28/2012 5:51:49 PM MassBank GC 2010 Tsujimoto 
41/25/2005 12:00:00 AM M[MOR] 
55/12/2005 12:00:00 AM M[NIST] 
611/3/2010 4:21:46 PM Schomburg_GC_2010 
83/30/2011 4:52:37 PM Fiehn_GC_2010 
108/28/2012 5:51:49 PM MassBank GC 2010 Tsujimoto 
10 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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