Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive (MMDBc0027532)
Spectrum Details
| MiMe ID: | MMDBc0027532 |
|---|---|
| Compound Name: | Asperlide C |
| Derivative IUPAC Name: | (5R)-4-(4-hydroxyphenyl)-5-{[2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]methyl}-3-[(trimethylsilyl)oxy]-2,5-dihydrofuran-2-one |
| Derivative SMILES: | CC(C)(O)C1CC2=CC(C[C@H]3OC(=O)C(O[Si](C)(C)C)=C3C3=CC=C(O)C=C3)=CC=C2O1 |
| Derivative InChIKey: | InChIKey=MXPMPBQNXXMNLK-VQCQRNETSA-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: | C22H22O6 |
| Molecular Weight (Monoisotopic Mass): | 382.1416 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 | 775 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References