Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0007780)
Spectrum Details
| MiMe ID: | MMDBc0007780 |
|---|---|
| Compound Name: | Ergonornorine |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CCC[C@H]1C(=O)N2CCC[C@H]2[C@]2(O[Si](C)(C)C)O[C@@](CCC)(N=C(O)[C@@H]3C=C4C5=CC=CC6=C5C(=CN6)C[C@H]4N(C)C3)C(=O)N12 |
| Derivative InChIKey: | Not Available |
| 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: | C31H39N5O5 |
| Molecular Weight (Monoisotopic Mass): | 561.2951 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 | 776 Bytes |
| mzML formatted file (MZML) | Download file | 4.64 KB |
References