Predicted GC-MS Spectrum - GC-MS (TMS_1_6) - 70eV, Positive (MMDBc0033629)
Spectrum Details
| MiMe ID: | MMDBc0033629 |
|---|---|
| Compound Name: | Engeletin |
| Derivative IUPAC Name: | (2R,3R)-3-{[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(trimethylsilyl)oxy]oxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one |
| Derivative SMILES: | C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=AOPWRSYLUIGCPX-HSSACSORSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_6) - 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: | C21H22O10 |
| Molecular Weight (Monoisotopic Mass): | 434.1213 Da |
| Derivative Type: | TMS_1_6 |
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