Predicted GC-MS Spectrum - GC-MS (TMS_1_6) - 70eV, Positive (M2MDB000286)
Spectrum Details
| ECMDB ID: | ECMDB01179 |
|---|---|
| Compound Name: | Nicotinic acid adenine dinucleotide |
| Spectrum Type: | Predicted GC-MS Spectrum - 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: | C21H27N6O15P2 |
| Molecular Weight (Monoisotopic Mass): | 665.101 Da |
| Molecular Weight (Avergae Mass): | 665.4178 Da |
| Derivative Type: | TMS_1_6 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)OP(=O)(O)OC[C@H]1O[C@@H]([N+]2=CC=CC(C(=O)O)=C2)[C@H](O)[C@@H]1O)
Documentation
| Document Description | Download |
|---|---|
| List of m/z values for the spectrum | Download file |
References
Not Available