Predicted GC-MS Spectrum - GC-MS (TMS_2_3) - 70eV, Positive (MMDBc0003270)
Spectrum Details
| MiMe ID: | MMDBc0003270 |
|---|---|
| Compound Name: | N-Demethylsambutoxin |
| Derivative IUPAC Name: | 3-[(2S,5R,6R)-6-[(2E,4R,6S)-4,6-dimethyloct-2-en-2-yl]-5-methyloxan-2-yl]-2-[(trimethylsilyl)oxy]-5-{4-[(trimethylsilyl)oxy]phenyl}pyridin-4-ol |
| Derivative SMILES: | CC[C@H](C)C[C@@H](C)/C=C(\C)[C@@H]1O[C@H](C2=C(O[Si](C)(C)C)N=CC(C3=CC=C(O[Si](C)(C)C)C=C3)=C2O)CC[C@H]1C |
| Derivative InChIKey: | InChIKey=LNGMJGLQWGUMSL-BEMYSRQYSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_3) - 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: | C27H37NO4 |
| Molecular Weight (Monoisotopic Mass): | 439.2723 Da |
| Derivative Type: | TMS_2_3 |
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 | 771 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References