Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive (MMDBc0006087)
Spectrum Details
| MiMe ID: | MMDBc0006087 |
|---|---|
| Compound Name: | Cephalimysin B |
| Derivative IUPAC Name: | (5R,8S,9S)-8-benzoyl-2-(5-ethylfuran-2-yl)-9-hydroxy-8-methoxy-3-methyl-6-[(trimethylsilyl)oxy]-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one |
| Derivative SMILES: | CCC1=CC=C(C2=C(C)C(=O)[C@]3(O2)C(O[Si](C)(C)C)=N[C@@](OC)(C(=O)C2=CC=CC=C2)[C@H]3O)O1 |
| Derivative InChIKey: | InChIKey=RNQMSSJWOBZMKJ-ICDZXHCJSA-N |
| 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: | C22H21NO7 |
| Molecular Weight (Monoisotopic Mass): | 411.1318 Da |
| Derivative Type: | TMS_1_2 |
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 | 774 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References