Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 70eV, Positive (MMDBc0003866)
Spectrum Details
MiMe ID: | MMDBc0003866 |
---|---|
Compound Name: | Cephalimysin D |
Derivative IUPAC Name: | (5S,8S,9S)-8-benzoyl-2-(5-ethylfuran-2-yl)-8-methoxy-3-methyl-6,9-bis[(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[Si](C)(C)C)O1 |
Derivative InChIKey: | InChIKey=HUURLZQXLAZEJC-RZDMPUFOSA-N |
Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_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: | C22H21NO7 |
Molecular Weight (Monoisotopic Mass): | 411.1318 Da |
Derivative Type: | TMS_2_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 | 776 Bytes |
mzML formatted file (MZML) | Download file | 4.63 KB |
References