Predicted GC-MS Spectrum - GC-MS (TMS_2_3) - 70eV, Positive (MMDBc0006794)
Spectrum Details
| MiMe ID: | MMDBc0006794 |
|---|---|
| Compound Name: | 4′-epi-N-2-hydroxyethyl-azachaetoviridin A |
| Derivative IUPAC Name: | (6aS)-5-chloro-9-[(3R)-3-hydroxy-2-methyl-1-[(trimethylsilyl)oxy]but-1-en-1-yl]-6a-methyl-3-[(1E,3S)-3-methylpent-1-en-1-yl]-2-{2-[(trimethylsilyl)oxy]ethyl}-2H,6H,6aH,8H-furo[2,3-h]isoquinoline-6,8-dione |
| Derivative SMILES: | CC[C@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@@]3(C)OC(=O)C(C(O[Si](C)(C)C)=C(C)[C@@H](C)O)=C3C2=CN1CCO[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=ZNHLJXSCEAMQDQ-ZHIRPCIPSA-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: | C25H30ClNO6 |
| Molecular Weight (Monoisotopic Mass): | 475.1762 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 | 781 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References