Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 70eV, Positive (MMDBc0003805)
Spectrum Details
| MiMe ID: | MMDBc0003805 |
|---|---|
| Compound Name: | Aspoquinolone C/D |
| Derivative IUPAC Name: | (3R,4R)-3-methoxy-4-(4-methoxyphenyl)-6-[(1E)-2-{2,6,6-trimethyl-5-[(trimethylsilyl)oxy]oxan-2-yl}ethenyl]-4-[(trimethylsilyl)oxy]-3,4-dihydroquinoline-2,5-diol |
| Derivative SMILES: | COC1=CC=C([C@@]2(O[Si](C)(C)C)C3=C(O)C(/C=C/C4(C)CCC(O[Si](C)(C)C)C(C)(C)O4)=CC=C3N=C(O)[C@@H]2OC)C=C1 |
| Derivative InChIKey: | InChIKey=ARIQVOIYIUIHCY-AXRJAKBDSA-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: | C27H33NO7 |
| Molecular Weight (Monoisotopic Mass): | 483.2257 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 | 778 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References