Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 70eV, Positive (FDB016940)

Spectrum Details
FooDB ID:FDB016940
Compound Name:(3S,3'S,5R,5'R,6R)-6,7-Didehydro-5,6-dihydro-3,3',5,8'-tetrahydroxy-beta,kappa-caroten-6'-one
Derivative IUPAC Name:Not Available
Derivative SMILES:C/C(C=C=C1C(C)(C)CC(O[Si](C)(C)C)CC1(C)O[Si](C)(C)C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C(O)=C\C(=O)C1(C)CC(O)CC1(C)C
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_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
Relative Intensity
20406080100
20406080100050100150200250300350400450500550600650700750
050100150200250300350400450500550600650700750
m/z
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:C40H56O5
Molecular Weight (Monoisotopic Mass):616.4128 Da
Derivative Type:TMS_2_1
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C/C(C=C=C1C(C)(C)CC(O[Si](C)(C)C)CC1(C)O[Si](C)(C)C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C(O)=C\C(=O)C1(C)CC(O)CC1(C)C)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file757 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available