Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 70eV, Positive (MMDBc0017349)
Spectrum Details
| MiMe ID: | MMDBc0017349 |
|---|---|
| Compound Name: | 3-Methylorsellinic acid |
| Derivative IUPAC Name: | 3,6-dimethyl-2,4-bis[(trimethylsilyl)oxy]benzoic acid |
| Derivative SMILES: | CC1=CC(O[Si](C)(C)C)=C(C)C(O[Si](C)(C)C)=C1C(=O)O |
| Derivative InChIKey: | InChIKey=IFHKYUZSDPATCH-UHFFFAOYSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_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: | C9H10O4 |
| Molecular Weight (Monoisotopic Mass): | 182.0579 Da |
| Derivative Type: | TMS_2_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 | 769 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References