Predicted GC-MS Spectrum - GC-MS (TMS_3_6) - 70eV, Positive (MMDBc0016557)
Spectrum Details
| MiMe ID: | MMDBc0016557 |
|---|---|
| Compound Name: | Fusarubinoic acid |
| Derivative IUPAC Name: | trimethylsilyl 4-hydroxy-6-methoxy-5,8-dioxo-1-[(trimethylsilyl)oxy]-3-{2-[(trimethylsilyl)oxy]prop-1-en-1-yl}-5,8-dihydronaphthalene-2-carboxylate |
| Derivative SMILES: | COC1=CC(=O)C2=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C(C=C(C)O[Si](C)(C)C)C(O)=C2C1=O |
| Derivative InChIKey: | InChIKey=SUKWQIFMTMPCGF-UHFFFAOYSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_3_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: | C15H12O8 |
| Molecular Weight (Monoisotopic Mass): | 320.0532 Da |
| Derivative Type: | TMS_3_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 | 771 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References