Predicted GC-MS Spectrum - GC-MS (TMS_4_1) - 70eV, Positive (MMDBc0024681)
Spectrum Details
| MiMe ID: | MMDBc0024681 |
|---|---|
| Compound Name: | Aspyridone B |
| Derivative IUPAC Name: | (2S,4S)-1-(5-{3,4-bis[(trimethylsilyl)oxy]phenyl}-2,4-bis[(trimethylsilyl)oxy]pyridin-3-yl)-2,4-dimethylhexan-1-one |
| Derivative SMILES: | CC[C@H](C)C[C@H](C)C(=O)C1=C(O[Si](C)(C)C)N=CC(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=IEZZSQUDJUHJTR-GOTSBHOMSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_4_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: | C19H23NO5 |
| Molecular Weight (Monoisotopic Mass): | 345.1576 Da |
| Derivative Type: | TMS_4_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