Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0019808)
Spectrum Details
| MiMe ID: | MMDBc0019808 |
|---|---|
| Compound Name: | (-)-(2R,3R,4aR)-altenuene-3-acetoxy ester |
| Derivative IUPAC Name: | (2R,3R,4aR)-7-hydroxy-9-methoxy-4a-methyl-6-oxo-2-[(trimethylsilyl)oxy]-2H,3H,4H,4aH,6H-benzo[c]chromen-3-yl acetate |
| Derivative SMILES: | COC1=CC(O)=C2C(=O)O[C@]3(C)C[C@@H](OC(C)=O)[C@H](O[Si](C)(C)C)C=C3C2=C1 |
| Derivative InChIKey: | InChIKey=XSMYLGFCJHYUGF-MBOZVWFJSA-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: | C17H18O7 |
| Molecular Weight (Monoisotopic Mass): | 334.1053 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 | 774 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References