Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0018596)
Spectrum Details
| MiMe ID: | MMDBc0018596 |
|---|---|
| Compound Name: | Terreulactone A |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | COC1=CC=C(C2=CC3=C(C[C@]4(O[Si](C)(C)C)[C@@]5(C)C(=O)[C@@]6(OC)C(=O)O[C@]5(CC[C@@]4(C)O3)C6(C)C)C(=O)O2)C=C1 |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 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: | C28H30O9 |
| Molecular Weight (Monoisotopic Mass): | 510.189 Da |
| Derivative Type: | TMS_1_1 |
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