Predicted GC-MS Spectrum - GC-MS ("3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-1?????-chromen-1-ylium,1TMS,#1" TMS) - 70eV, Positive (CHEM042352)

Spectrum Details
chemdb ID:CHEM042352
Compound Name:pelargonidin 3-O-sophoroside
Spectrum Type:Predicted GC-MS Spectrum - GC-MS ("3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-1?????-chromen-1-ylium,1TMS,#1" TMS) - 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:TMS
Molecular Weight (Monoisotopic Mass):5491.46 Da
Molecular Weight (Avergae Mass):0.0 Da
Derivative Type:"3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-1?????-chromen-1-ylium,1TMS,#1" TMS
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: Semi standard non polar)
Documentation
Document DescriptionDownload
List of m/z values for the spectrumDownload file
mzML formatted fileDownload file
References
Not Available