Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0018606)
Spectrum Details
| MiMe ID: | MMDBc0018606 |
|---|---|
| Compound Name: | N-2-butyric-azochaetoviridin E |
| Derivative IUPAC Name: | trimethylsilyl 4-[(6aS)-5-chloro-6a-methyl-9-[(2E)-2-methylbut-2-enoyl]-3-[(1E,3S)-3-methylpent-1-en-1-yl]-6,8-dioxo-2H,6H,6aH,8H-furo[2,3-h]isoquinolin-2-yl]butanoate |
| Derivative SMILES: | C/C=C(\C)C(=O)C1=C2C3=CN(CCCC(=O)O[Si](C)(C)C)C(/C=C/[C@@H](C)CC)=CC3=C(Cl)C(=O)[C@@]2(C)OC1=O |
| Derivative InChIKey: | InChIKey=HHFPAURBMMWXPW-AEVHMZCTSA-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: | C27H30ClNO6 |
| Molecular Weight (Monoisotopic Mass): | 499.1762 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