Spectrum Details
FooDB ID:FDB022511
Compound Name:FAD
Derivative IUPAC Name:Not Available
Derivative SMILES:CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)C1=NC(=O)[NH]C(=O)C1=N2
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TBDMS_1_4) - 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:C27H33N9O15P2
Molecular Weight (Monoisotopic Mass):785.1571 Da
Derivative Type:TBDMS_1_4
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)C1=NC(=O)[NH]C(=O)C1=N2)
Documentation
Document DescriptionDownload
List of m/z values for the spectrumDownload file
mzML formatted fileDownload file
References
Not Available