Predicted GC-MS Spectrum - GC-MS (TMS_2_3) - 70eV, Positive (MMDBc0012307)
Spectrum Details
| MiMe ID: | MMDBc0012307 |
|---|---|
| Compound Name: | 12β-hydroxychaetoviridin C |
| Derivative IUPAC Name: | (6aS,9R,9aS)-5-chloro-9-[(3S)-3-hydroxy-2-methyl-1-[(trimethylsilyl)oxy]but-1-en-1-yl]-6a-methyl-3-[(3R,4R)-3-methyl-4-[(trimethylsilyl)oxy]pent-1-en-1-yl]-6H,6aH,8H,9H,9aH-furo[2,3-h]isochromene-6,8-dione |
| Derivative SMILES: | CC(=C(O[Si](C)(C)C)[C@@H]1C(=O)O[C@]2(C)C(=O)C(Cl)=C3C=C(C=C[C@@H](C)[C@@H](C)O[Si](C)(C)C)OC=C3[C@H]12)[C@H](C)O |
| Derivative InChIKey: | InChIKey=XKEVDLJTTQQDRY-ZNZVDSTPSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_3) - 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: | C23H27ClO7 |
| Molecular Weight (Monoisotopic Mass): | 450.1445 Da |
| Derivative Type: | TMS_2_3 |
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 | 781 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References