Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0030048)
Spectrum Details
| MiMe ID: | MMDBc0030048 |
|---|---|
| Compound Name: | cis-3-(3-Carboxyethenyl)-3,5-cyclohexadiene-1,2-diol |
| Derivative IUPAC Name: | (2E)-3-[(5S,6R)-6-hydroxy-5-[(trimethylsilyl)oxy]cyclohexa-1,3-dien-1-yl]prop-2-enoic acid |
| Derivative SMILES: | C[Si](C)(C)O[C@H]1C=CC=C(/C=C/C(=O)O)[C@H]1O |
| Derivative InChIKey: | InChIKey=QFXQUAIMFSNDAA-PXYQHZOESA-N |
| 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: | C9H10O4 |
| Molecular Weight (Monoisotopic Mass): | 182.0579 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 | 772 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References