Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0010086)
Spectrum Details
| MiMe ID: | MMDBc0010086 |
|---|---|
| Compound Name: | Ditryptophenaline |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CN1C(=O)[C@@H]2C[C@@]3([C@@]45C[C@H]6C(=O)N(C)[C@@H](CC7=CC=CC=C7)C(=O)N6[C@@H]4N([Si](C)(C)C)C4=CC=CC=C45)C4=CC=CC=C4N[C@H]3N2C(=O)[C@@H]1CC1=CC=CC=C1 |
| 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: | C42H40N6O4 |
| Molecular Weight (Monoisotopic Mass): | 692.3111 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 | 762 Bytes |
| mzML formatted file (MZML) | Download file | 4.64 KB |
References