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Details of Malic acid (3TMS)

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Role Analyte
nameMalic acid (3TMS)
MPIMP IDA149001
isotopomerambient
formulaC13H30O5Si3
molecular mass350.631
monoisotopic mass350.14011
InChIInChI=1S/C13H30O5Si3/c1-19(2,3)16-11(13(15)18-21(7,8)9)10-12(14)17-20(4,5)6/h11H,10H2,1-9H3
InChIKeyQCOBWZRPFJZHGU-UHFFFAOYSA-N
substructure TMS3
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)1,479.34
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27607dbf7c-9714-402b-b03a-2cc96dc5ce02%27)

Synonyms of Malic acid (3TMS)

Metabolite mapped to Malic acid (3TMS)

metabolitestereoisomerisotopomer
Malic acidDL- ambient
1 metabolite(s)

Reference spectra of Malic acid (3TMS)

replicaentry datedetectionmethodspecies
19/1/2001 12:00:00 AM M[EIGTMS]Saccharomyces cerevisiae
27/19/2007 11:16:30 AM MDN35Reference Substance
328/28/2012 5:51:49 PM MassBank GC 2010 Kusano 
338/28/2012 5:51:49 PM MassBank GC 2010 Kusano 
358/28/2012 5:51:49 PM MassBank GC 2010 Ara 
32/22/2005 12:00:00 AM M[STR] 
47/19/2007 11:16:30 AM VAR5Reference Substance
58/1/2002 12:00:00 AM M[2]Lotus japonicus (Regel) K. Larsen
386/5/2013 12:39:00 PM MRI_2013 
67/19/2007 11:16:30 AM VAR5Reference Substance
35 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 7/24/2012 by Kopka J., Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
modified by users Hummel J., Kopka J.
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service last updated 31/08/2021 © 2008-2014 Golm Metabolome Database - All rights reserved
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