Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 70eV, Positive (MMDBc0015896)
Spectrum Details
| MiMe ID: | MMDBc0015896 |
|---|---|
| Compound Name: | 4-O-demethylisobutyrolactone II |
| Derivative IUPAC Name: | (5S)-4-(4-hydroxyphenyl)-5-[(4-hydroxyphenyl)methyl]-3,5-bis[(trimethylsilyl)oxy]-2,5-dihydrofuran-2-one |
| Derivative SMILES: | C[Si](C)(C)OC1=C(C2=CC=C(O)C=C2)[C@](CC2=CC=C(O)C=C2)(O[Si](C)(C)C)OC1=O |
| Derivative InChIKey: | InChIKey=SJWMVJGGGLFQJS-QHCPKHFHSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_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: | C17H14O6 |
| Molecular Weight (Monoisotopic Mass): | 314.079 Da |
| Derivative Type: | TMS_2_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 | 770 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References