Spectrum Details
FooDB ID:FDB000495
Compound Name:Amaranthin
Derivative IUPAC Name:Not Available
Derivative SMILES:C[Si](C)(C)OC(=O)C1OC(OC2C(OC3=CC4=C(C=C3O[Si](C)(C)C)/[N+](=C/C=C3/C=C(C(=O)O)NC(C(=O)O)C3)C(C(=O)[O-])C4)OC(CO)C(O)C2O)C(O)C(O)C1O
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_13) - 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:C30H34N2O19
Molecular Weight (Monoisotopic Mass):726.1756 Da
Derivative Type:TMS_2_13
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC(=O)C1OC(OC2C(OC3=CC4=C(C=C3O[Si](C)(C)C)/[N+](=C/C=C3/C=C(C(=O)O)NC(C(=O)O)C3)C(C(=O)[O-])C4)OC(CO)C(O)C2O)C(O)C(O)C1O)
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