Predicted GC-MS Spectrum - GC-MS (TMS_2_7) - 70eV, Positive (MMDBc0023865)
Spectrum Details
| MiMe ID: | MMDBc0023865 |
|---|---|
| Compound Name: | Aureochaeglobosin C |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | C=C1[C@@H](O)[C@@H]2C=CC[C@H](C)C=C(C)[C@@H](O)C(=O)[C@@H]3[C@H](CC=C[C@H]3[C@H]3OC[C@@H](C=CC=CC)[C@@H]3O[Si](C)(C)C)C(=O)[C@]23C(O)=N[C@@H](CC2=CN([Si](C)(C)C)C4=CC=CC=C24)[C@@H]3[C@@H]1C |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_7) - 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: | C45H54N2O7 |
| Molecular Weight (Monoisotopic Mass): | 734.3931 Da |
| Derivative Type: | TMS_2_7 |
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
| Document Description | Download | File Size |
|---|---|---|
| Generated list of m/z values for the spectrum (TSV) | Download file | 776 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References