Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0009710)
Spectrum Details
| MiMe ID: | MMDBc0009710 |
|---|---|
| Compound Name: | Chaetomugilin K |
| Derivative IUPAC Name: | (6aS,8S,9aS)-8-[(2E)-but-2-en-2-yl]-5-chloro-8-methoxy-6a-methyl-3-[(1E,3R,4R)-3-methyl-4-[(trimethylsilyl)oxy]pent-1-en-1-yl]-6H,6aH,8H,9H,9aH-furo[2,3-h]isochromen-6-one |
| Derivative SMILES: | C/C=C(\C)[C@]1(OC)C[C@H]2C3=COC(/C=C/[C@@H](C)[C@@H](C)O[Si](C)(C)C)=CC3=C(Cl)C(=O)[C@@]2(C)O1 |
| Derivative InChIKey: | InChIKey=DPFJPMOKEJXTBA-XKPZCYASSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_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: | C23H29ClO5 |
| Molecular Weight (Monoisotopic Mass): | 420.1704 Da |
| Derivative Type: | TMS_1_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 | 772 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References