Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive (MMDBc0004756)
Spectrum Details
| MiMe ID: | MMDBc0004756 |
|---|---|
| Compound Name: | Ficiolide D |
| Derivative IUPAC Name: | (4S,8R,13R,16R)-13-hydroxy-8,16-dimethyl-4-[(trimethylsilyl)oxy]-1,9-dioxacyclohexadec-11-ene-2,5,10-trione |
| Derivative SMILES: | C[C@@H]1CCC(=O)[C@@H](O[Si](C)(C)C)CC(=O)O[C@H](C)CC[C@@H](O)C=CC(=O)O1 |
| Derivative InChIKey: | InChIKey=QMHFUQZWSAEXHT-BOEXNKMNSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 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: | C16H24O7 |
| Molecular Weight (Monoisotopic Mass): | 328.1522 Da |
| Derivative Type: | TMS_1_2 |
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 | 547 Bytes |
| mzML formatted file (MZML) | Download file | 4.44 KB |
References