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Details of Panthenol (3TMS)

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Role Analyte
namePanthenol (3TMS)
MPIMP IDA193017
isotopomerambient
formulaC18H43NO4Si3
molecular mass421.795
monoisotopic mass421.24999
InChIInChI=1S/C18H43NO4Si3/c1-18(2,15-22-25(6,7)8)16(23-26(9,10)11)17(20)19-13-12-14-21-24(3,4)5/h16H,12-15H2,1-11H3,(H,19,20)/t16-/m0/s1
InChIKeyRTDGNGBVIBKDRU-INIZCTEOSA-N
substructure TMS3
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)1,936.76
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27e9e732b7-e9c4-4fd5-96e6-56fc370c36c3%27)

Synonyms of Panthenol (3TMS)

propertyvalue
synonymB000802
synonymPanthenol (3TMS)
2 synonym(s)

Metabolite mapped to Panthenol (3TMS)

metabolitestereoisomerisotopomer
PanthenolD- ambient
1 metabolite(s)

Reference spectra of Panthenol (3TMS)

replicaentry datedetectionmethodspecies
17/19/2007 11:16:30 AM VAR5Reference Substance
33/30/2011 4:52:37 PM Fiehn_GC_2010 
27/19/2007 11:16:30 AM MDN35Reference 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 8/9/2011 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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