Predicted GC-MS Spectrum - GC-MS (TMS_4_2) - 70eV, Positive (MMDBc0031946)
Spectrum Details
| MiMe ID: | MMDBc0031946 |
|---|---|
| Compound Name: | Secondary alcohol |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | COC1=CC=C(C[C@H](N[Si](C)(C)C)C(=O)N([C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](N3C=NC4=C(N(C)C)N=CN=C43)[C@@H]2O[Si](C)(C)C)[Si](C)(C)C)C=C1 |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_4_2) - 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: | C22H29N7O5 |
| Molecular Weight (Monoisotopic Mass): | 471.223 Da |
| Derivative Type: | TMS_4_2 |
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 | 4.63 KB |
References