Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 70eV, Positive (MMDBc0003154)
Spectrum Details
| MiMe ID: | MMDBc0003154 |
|---|---|
| Compound Name: | Chloropupukeanolide D |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | COC(=O)[C@]12C=C(OC)[C@@]3(Cl)[C@](O[Si](C)(C)C)(C(C4=C[C@H](O)[C@@H]5O[C@]5(CC=C(C)C)[C@@H]4O[Si](C)(C)C)=C[C@@]3(C)C1)[C@]21OC(=O)C2=C(O)C=C(C)C=C2O1 |
| Derivative InChIKey: | Not Available |
| 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: | C33H35ClO11 |
| Molecular Weight (Monoisotopic Mass): | 642.1868 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