Predicted GC-MS Spectrum - GC-MS (TMS_3_4) - 70eV, Positive (MMDBc0027648)
Spectrum Details
| MiMe ID: | MMDBc0027648 |
|---|---|
| Compound Name: | Sakuranetin-4′-O-β-D-xylopyranoside |
| Derivative IUPAC Name: | 2-(4-{[(2S,3R,4S,5R)-5-hydroxy-3,4-bis[(trimethylsilyl)oxy]oxan-2-yl]oxy}phenyl)-7-methoxy-5-[(trimethylsilyl)oxy]-3,4-dihydro-2H-1-benzopyran-4-one |
| Derivative SMILES: | COC1=CC2=C(C(=O)CC(C3=CC=C(O[C@@H]4OC[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C=C3)O2)C(O[Si](C)(C)C)=C1 |
| Derivative InChIKey: | InChIKey=PBQJTTVJSPSKNE-PMPVMZMFSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_3_4) - 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: | C21H22O9 |
| Molecular Weight (Monoisotopic Mass): | 418.1264 Da |
| Derivative Type: | TMS_3_4 |
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 | 776 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References