Spectrum Details
ECMDB ID:ECMDB01179
Compound Name:Nicotinic acid adenine dinucleotide
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_12) - 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:C21H27N6O15P2
Molecular Weight (Monoisotopic Mass):665.101 Da
Molecular Weight (Avergae Mass):665.4178 Da
Derivative Type:TMS_2_12
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@@H]([N+]2=CC=CC(C(=O)O)=C2)[C@@H]1O)
Documentation
Document DescriptionDownload
List of m/z values for the spectrumDownload file
References
Not Available