Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0023864)
Spectrum Details
| MiMe ID: | MMDBc0023864 |
|---|---|
| Compound Name: | Aureochaeglobosin B |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CC=CC=C[C@@H]1CO[C@H]([C@@H]2C=CC[C@@H]3C(=O)[C@@]45C(O)=N[C@@H](CC6=CNC7=CC=CC=C67)[C@@H]4C(C)=C(C)[C@@H](O)[C@@H]5C=CC[C@H](C)C=C(C)[C@@H](O)C(=O)[C@H]32)[C@H]1O[Si](C)(C)C |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 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_1_1 |
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 | 779 Bytes |
| mzML formatted file (MZML) | Download file | 4.64 KB |
References