Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 70eV, Positive (MMDBc0004231)
Spectrum Details
| MiMe ID: | MMDBc0004231 |
|---|---|
| Compound Name: | (+)-(10R)-7-hydroxy-3-(2-hydroxypropyl)-5,6-dimethylisochromen-1-one |
| Derivative IUPAC Name: | 5,6-dimethyl-7-[(trimethylsilyl)oxy]-3-[(2R)-2-[(trimethylsilyl)oxy]propyl]-1H-isochromen-1-one |
| Derivative SMILES: | CC1=C(O[Si](C)(C)C)C=C2C(=O)OC(C[C@@H](C)O[Si](C)(C)C)=CC2=C1C |
| Derivative InChIKey: | InChIKey=XARMEFFURQNORO-CYBMUJFWSA-N |
| 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: | C14H16O4 |
| Molecular Weight (Monoisotopic Mass): | 248.1049 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 | 771 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References