Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0023160)
Spectrum Details
| MiMe ID: | MMDBc0023160 |
|---|---|
| Compound Name: | (S)-5-hydroxy-2,6-dimethyl-4H-furo[3,4-g]benzopyran-4,8(6H)-dione |
| Derivative IUPAC Name: | (6S)-2,6-dimethyl-5-[(trimethylsilyl)oxy]-4H,6H,8H-furo[3,4-g]chromene-4,8-dione |
| Derivative SMILES: | CC1=CC(=O)C2=C(O[Si](C)(C)C)C3=C(C=C2O1)C(=O)O[C@H]3C |
| Derivative InChIKey: | InChIKey=MMDYPNAYKKWVLN-VIFPVBQESA-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: | C13H10O5 |
| Molecular Weight (Monoisotopic Mass): | 246.0528 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 | 764 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References