Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0016538)
Spectrum Details
| MiMe ID: | MMDBc0016538 |
|---|---|
| Compound Name: | 4-O-Methylbotcinolide |
| Derivative IUPAC Name: | 5,7-dihydroxy-6-methoxy-2,4,6,8-tetramethyl-9-oxooxonan-3-yl (2E)-4-[(trimethylsilyl)oxy]oct-2-enoate |
| Derivative SMILES: | CCCCC(/C=C/C(=O)OC1C(C)OC(=O)C(C)C(O)C(C)(OC)C(O)C1C)O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=CXIJEAAGXLSHPD-BUHFOSPRNA-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: | C21H36O8 |
| Molecular Weight (Monoisotopic Mass): | 416.241 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 | 773 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References