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Details of Isocitric acid (4TMS)

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Role Analyte
nameIsocitric acid (4TMS)
MPIMP IDA182003
isotopomerambient
formulaC18H40O7Si4
molecular mass480.848
monoisotopic mass480.18511
InChIInChI=1S/C18H40O7Si4/c1-26(2,3)22-15(19)13-14(17(20)24-28(7,8)9)16(23-27(4,5)6)18(21)25-29(10,11)12/h14,16H,13H2,1-12H3
InChIKeyQMCRZQSRNUSJRR-UHFFFAOYSA-N
substructure TMS4
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)1,805.4
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27b3caa3f7-99d7-46d8-b00c-f47fbb38f69f%27)

Synonyms of Isocitric acid (4TMS)

propertyvalue
ChemSpider ID460756
PubChem CID528659
2 synonym(s)

Metabolite mapped to Isocitric acid (4TMS)

metabolitestereoisomerisotopomer
DL-Isocitric acidDL ambient
Isocitric acidthreo-D ambient
2 metabolite(s)

Reference spectra of Isocitric acid (4TMS)

replicaentry datedetectionmethodspecies
258/28/2012 5:51:49 PM MassBank GC 2010 Kusano 
19/11/2005 12:00:00 AM M[FAME4090]Standard
21/19/2005 12:00:00 AM M[ROE] 
278/28/2012 5:51:49 PM MassBank GC 2010 Ara 
37/19/2007 11:16:30 AM MDN35Reference Substance
268/28/2012 5:51:49 PM MassBank GC 2010 Tsujimoto 
296/5/2013 12:39:00 PM MRI_2013 
610/1/2001 12:00:00 AM M[EIGTMS]Standard
85/12/2005 12:00:00 AM M[NIST] 
92/22/2005 12:00:00 AM M[STR] 
26 spectrum(a)
    of 3    
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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service last updated 31/08/2021 © 2008-2014 Golm Metabolome Database - All rights reserved
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