Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0002560)
Spectrum Details
| MiMe ID: | MMDBc0002560 |
|---|---|
| Compound Name: | Ficiolide I |
| Derivative IUPAC Name: | (2R,5S)-5-hydroxy-8-methoxy-8-oxooct-6-en-2-yl (4S,7R)-4-hydroxy-7-[(trimethylsilyl)oxy]oct-2-enoate |
| Derivative SMILES: | COC(=O)C=C[C@@H](O)CC[C@@H](C)OC(=O)C=C[C@@H](O)CC[C@@H](C)O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=RFGJWPPFHROROY-BDXSIMOUSA-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: | C17H28O7 |
| Molecular Weight (Monoisotopic Mass): | 344.1835 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 | 777 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References