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Details of Phosphoenolpyruvic acid (3TMS)

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Role Analyte
namePhosphoenolpyruvic acid (3TMS)
MPIMP IDA159005
isotopomerambient
formulaC12H29O6PSi3
molecular mass384.586
monoisotopic mass384.10096
InChIInChI=1S/C12H29O6PSi3/c1-11(12(13)16-20(2,3)4)15-19(14,17-21(5,6)7)18-22(8,9)10/h1H2,2-10H3
InChIKeyQWWAXKXHCIQIEE-UHFFFAOYSA-N
substructure TMS3
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)1,593.85
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%2790b2be75-6b79-4396-8600-2926e51ce132%27)

Synonyms of Phosphoenolpyruvic acid (3TMS)

Metabolite mapped to Phosphoenolpyruvic acid (3TMS)

Reference spectra of Phosphoenolpyruvic acid (3TMS)

replicaentry datedetectionmethodspecies
96/5/2013 12:39:00 PM MRI_2013 
12/22/2005 12:00:00 AM M[STR] 
22/22/2005 12:00:00 AM M[STR] 
88/28/2012 5:51:49 PM MassBank GC 2010 Tsujimoto 
37/19/2007 11:16:30 AM MDN35Reference Substance
611/3/2010 4:22:32 PM Schomburg_GC_2010 
73/30/2011 4:52:37 PM Fiehn_GC_2010 
47/19/2007 11:16:30 AM VAR5Reference Substance
8 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 8/9/2011 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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