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Spectrum Details
HMDB ID:HMDB0040728
Compound Name:Neolicuroside
Derivative IUPAC Name:Not Available
Derivative SMILES:C[Si](C)(C)OC1C(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O)C=C4O)C=C3)OC(CO)C(O)C2O)OCC1(O)CO
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - Neolicuroside GC-MS (TMS_1_6) - 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:C26H30O13
Molecular Weight (Monoisotopic Mass):550.1686 Da
Derivative Type:TMS_1_6
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC1C(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O)C=C4O)C=C3)OC(CO)C(O)C2O)OCC1(O)CO)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file754 Bytes
mzML formatted file (MZML)Download file4.66 KB
References
Not Available