Spectrum Details
MiMe ID:MMDBc0000081
Compound Name:Pyridoxine
Derivative IUPAC Name:{3-[(tert-butyldimethylsilyl)oxy]-5-{[(tert-butyldimethylsilyl)oxy]methyl}-2-methylpyridin-4-yl}methanol
Derivative SMILES:CC1=NC=C(CO[Si](C)(C)C(C)(C)C)C(CO)=C1O[Si](C)(C)C(C)(C)C
Derivative InChIKey:InChIKey=KHISWWBQYYEPTE-UHFFFAOYSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TBDMS_2_1) - 70eV, Positive
Splash Key:Not Available
Notes:This is a predicted spectrum, and it should only be used as a guide. Further evidence is required to confirm identification.
Spectrum View
Experimental Conditions
Ionization Mode:Positive
Ionization Energy:70 eV
Chromatography Type:Gas Chromatography Column (GC)
Instrument Type:Single quadrupole, spectrum predicted by CFM-ID(EI)
Mass Resolution:0.0001 Da
Molecular Formula:C8H11NO3
Molecular Weight (Monoisotopic Mass):169.0739 Da
Derivative Type:TBDMS_2_1
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC1=NC=C(CO[Si](C)(C)C(C)(C)C)C(CO)=C1O[Si](C)(C)C(C)(C)C)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file750 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available