Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive (FDB017476)
Spectrum Details
| FooDB ID: | FDB017476 |
|---|---|
| Compound Name: | Azaspiracid 3 |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | C=C(CC12CC(C)CC(O1)C1OC3(CC1O2)NCC(C)CC3C)C1OC(O)(C(O[Si](C)(C)C)C2CC3OC4(CCC5(CC=CC(/C=C/CCC(=O)O)O5)O4)C(C)CC3O2)CCC1C |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 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: | C46H69NO12 |
| Molecular Weight (Monoisotopic Mass): | 827.482 Da |
| Derivative Type: | TMS_1_2 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C=C(CC12CC(C)CC(O1)C1OC3(CC1O2)NCC(C)CC3C)C1OC(O)(C(O[Si](C)(C)C)C2CC3OC4(CCC5(CC=CC(/C=C/CCC(=O)O)O5)O4)C(C)CC3O2)CCC1C)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 762 Bytes |
| mzML formatted file (MZML) | Download file | 4.67 KB |
References
Not Available