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Details of Citric acid (4TMS)

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Role Analyte
nameCitric acid (4TMS)
MPIMP IDA182004
isotopomerambient
formulaC18H40O7Si4
molecular mass480.848
monoisotopic mass480.18511
InChIInChI=1S/C18H40O7Si4/c1-26(2,3)22-15(19)13-18(25-29(10,11)12,17(21)24-28(7,8)9)14-16(20)23-27(4,5)6/h13-14H2,1-12H3
InChIKeyVFGAVMGYDWDESE-UHFFFAOYSA-N
substructure TMS4
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)1,803.92
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%275cb91881-3359-4fbb-a8e4-dd2f007f01ba%27)

Synonyms of Citric acid (4TMS)

propertyvalue
ChemSpider ID481094
PubChem CID553132
2 synonym(s)

Metabolite mapped to Citric acid (4TMS)

metabolitestereoisomerisotopomer
Citric acidno ambient
1 metabolite(s)

Reference spectra of Citric acid (4TMS)

replicaentry datedetectionmethodspecies
18/1/2002 12:00:00 AM M[2]Lotus japonicus (Regel) K. Larsen
29/1/2001 12:00:00 AM M[2]Standard Addition
38/1/2002 12:00:00 AM M[2]Lotus japonicus (Regel) K. Larsen
48/1/2002 12:00:00 AM M[2]Lotus japonicus (Regel) K. Larsen
55/12/2005 12:00:00 AM M[NIST] 
65/12/2005 12:00:00 AM M[NIST] 
79/11/2005 12:00:00 AM M[FAME4090]Standard
338/28/2012 5:51:49 PM MassBank GC 2010 Kusano 
89/11/2005 12:00:00 AM M[FAME4090]Standard
91/25/2005 12:00:00 AM M[MOR] 
33 spectrum(a)
    of 4    
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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