Predicted GC-MS Spectrum - GC-MS (TMS_3_10) - 70eV, Positive (MMDBc0054780)
Spectrum Details
| MiMe ID: | MMDBc0054780 |
|---|---|
| Compound Name: | (1S,4R)-isodihydrocarvone |
| Derivative IUPAC Name: | 1,2,3-tritrimethylsilyl 1-{[(2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propane-1,2,3-tricarboxylate |
| Derivative SMILES: | C[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)C(OC(=O)/C=C\C1=CC=C(O)C(O)=C1)C(=O)O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=RDMIRNUDNDIOQE-QBFSEMIENA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_3_10) - 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: | C15H14O10 |
| Molecular Weight (Monoisotopic Mass): | 354.0587 Da |
| Derivative Type: | TMS_3_10 |
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 | 770 Bytes |
| mzML formatted file (MZML) | Download file | 4.64 KB |
References