Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 70eV, Positive (CHEM026275)
Spectrum Details
| chemdb ID: | CHEM026275 |
|---|---|
| Compound Name: | Nigrin B |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 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: | C25H22N4O8 |
| Molecular Weight (Monoisotopic Mass): | 506.1438 Da |
| Molecular Weight (Avergae Mass): | 506.471 Da |
| Derivative Type: | TMS_1_3 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: COC1=C(N)C(=O)C2=NC(C3=NC(C(=O)O)=C(C)C(C4=CC=C(OC)C(OC)=C4O)=C3N[Si](C)(C)C)=CC=C2C1=O)
Documentation
| Document Description | Download |
|---|---|
| List of m/z values for the spectrum | Download file |
| mzML formatted file | Download file |
References
Not Available