Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive (MMDBc0016444)
Spectrum Details
| MiMe ID: | MMDBc0016444 |
|---|---|
| Compound Name: | Rubrofusarin-6-O-α-D-ribofuranoside |
| Derivative IUPAC Name: | 6-{[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-8-methoxy-2-methyl-5-[(trimethylsilyl)oxy]-4H-benzo[g]chromen-4-one |
| Derivative SMILES: | COC1=CC(O[C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)=C2C(O[Si](C)(C)C)=C3C(=O)C=C(C)OC3=CC2=C1 |
| Derivative InChIKey: | InChIKey=FENUIIOMBXRGMS-TUUKDFBESA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_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: | C20H20O9 |
| Molecular Weight (Monoisotopic Mass): | 404.1107 Da |
| Derivative Type: | TMS_1_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 | 774 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References