Predicted GC-MS Spectrum - GC-MS (TMS_2_15) - 70eV, Positive (MMDBc0023863)
Spectrum Details
| MiMe ID: | MMDBc0023863 |
|---|---|
| Compound Name: | Aureochaeglobosin A |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | C/C=C/C=C/[C@@H]1CO[C@H]([C@@H]2C=CC[C@@H]3C(=O)[C@@]45C(O)=N[C@@H](CC6=CN([Si](C)(C)C)C7=CC=CC=C67)[C@@H]4[C@H](C)[C@@]4(C)O[C@H]4[C@@H]5/C=C/C[C@H](C)C=C(C)[C@@H](O[Si](C)(C)C)C(=O)[C@H]32)[C@H]1O |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_15) - 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_15 |
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 | 778 Bytes |
| mzML formatted file (MZML) | Download file | 4.65 KB |
References