Predicted GC-MS Spectrum - GC-MS (TMS_4_12) - 70eV, Positive (MMDBc0012421)
Spectrum Details
| MiMe ID: | MMDBc0012421 |
|---|---|
| Compound Name: | Neosartoricin |
| Derivative IUPAC Name: | (2S,3R)-3-{2,4-bis[(trimethylsilyl)oxy]penta-2,4-dien-1-yl}-3,6-dihydroxy-10-(3-methylbut-2-en-1-yl)-1-oxo-8,9-bis[(trimethylsilyl)oxy]-1,2,3,4-tetrahydroanthracen-2-yl acetate |
| Derivative SMILES: | C=C(C=C(C[C@]1(O)CC2=C(C(=O)[C@H]1OC(C)=O)C(O[Si](C)(C)C)=C1C(O[Si](C)(C)C)=CC(O)=CC1=C2CC=C(C)C)O[Si](C)(C)C)O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=LLOPETKFXMJZSX-AMAPPZPBSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_4_12) - 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: | C26H28O9 |
| Molecular Weight (Monoisotopic Mass): | 484.1733 Da |
| Derivative Type: | TMS_4_12 |
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 | 4.64 KB |
References