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Details of 4-Pyridoxic acid (3TMS)

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Role Analyte
name4-Pyridoxic acid (3TMS)
MPIMP IDA194017
isotopomerambient
formulaC17H33NO4Si3
molecular mass399.705
monoisotopic mass399.17174
InChIInChI=1S/C17H33NO4Si3/c1-13-16(21-24(5,6)7)15(17(19)22-25(8,9)10)14(11-18-13)12-20-23(2,3)4/h11H,12H2,1-10H3
InChIKeyHSIPISKXEKPCKY-UHFFFAOYSA-N
substructure TMS3
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)1,941.06
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27049d6b90-2836-44f6-9642-bcd587d6859f%27)

Synonyms of 4-Pyridoxic acid (3TMS)

propertyvalue
ChemSpider ID460755
PubChem CID528658
synonym4-Pyridoxic acid (3TMS)
synonymB000023
4 synonym(s)

Metabolite mapped to 4-Pyridoxic acid (3TMS)

Reference spectra of 4-Pyridoxic acid (3TMS)

replicaentry datedetectionmethodspecies
17/19/2007 11:16:30 AM MDN35Reference Substance
33/30/2011 4:52:37 PM Fiehn_GC_2010 
27/19/2007 11:16:30 AM VAR5Reference Substance
3 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 8/11/2011 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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