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Details of Malonic acid (2TMS)

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Role Analyte
nameMalonic acid (2TMS)
MPIMP IDA122003
isotopomerambient
formulaC9H20O4Si2
molecular mass248.424
monoisotopic mass248.09001
InChIInChI=1S/C9H20O4Si2/c1-14(2,3)12-8(10)7-9(11)13-15(4,5)6/h7H2,1-6H3
InChIKeyATCKJLDGNXGLAO-UHFFFAOYSA-N
substructure TMS2
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)1,197.16
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%2771087795-0d05-4f53-9895-7fda539a7b03%27)

Synonyms of Malonic acid (2TMS)

Metabolite mapped to Malonic acid (2TMS)

Reference spectra of Malonic acid (2TMS)

replicaentry datedetectionmethodspecies
256/5/2013 12:39:00 PM MRI_2013 
18/1/2002 12:00:00 AM M[2]Lotus japonicus (Regel) K. Larsen
228/28/2012 5:51:49 PM MassBank GC 2010 Kusano 
22/22/2005 12:00:00 AM M[STR] 
32/22/2005 12:00:00 AM M[STR] 
48/1/2002 12:00:00 AM M[2]Lotus japonicus (Regel) K. Larsen
213/30/2011 4:52:37 PM Fiehn_GC_2010 
248/28/2012 5:51:49 PM MassBank GC 2010 Ara 
55/12/2005 12:00:00 AM M[NIST] 
2011/3/2010 4:22:08 PM Schomburg_GC_2010 
25 spectrum(a)
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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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