Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 70eV, Positive (MMDBc0005515)
Spectrum Details
| MiMe ID: | MMDBc0005515 |
|---|---|
| Compound Name: | Colletotric acid |
| Derivative IUPAC Name: | 4-[3-(2,4-dihydroxy-6-methylbenzoyloxy)-5-methoxy-2,4,6-trimethylbenzoyloxy]-2,3-dimethyl-6-[(trimethylsilyl)oxy]benzoic acid |
| Derivative SMILES: | COC1=C(C)C(OC(=O)C2=C(C)C=C(O)C=C2O)=C(C)C(C(=O)OC2=CC(O[Si](C)(C)C)=C(C(=O)O)C(C)=C2C)=C1C |
| Derivative InChIKey: | InChIKey=MYGDLLWNYBRRCT-UHFFFAOYSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 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: | C28H28O10 |
| Molecular Weight (Monoisotopic Mass): | 524.1682 Da |
| Derivative Type: | TMS_1_3 |
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 | 773 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References