Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0014481)
Spectrum Details
| MiMe ID: | MMDBc0014481 |
|---|---|
| Compound Name: | UCA-1064-B |
| Derivative IUPAC Name: | (8S,10aS,12aR)-1-[(2R)-5,6-dimethylheptan-2-yl]-10a,12a-dimethyl-8-[(trimethylsilyl)oxy]-1H,2H,3H,5H,6H,6aH,7H,8H,9H,10H,10aH,11H,12H,12aH-naphtho[1,2-h]quinoline |
| Derivative SMILES: | CC(C)C(C)CC[C@@H](C)C1CCN=C2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)CC1CC3 |
| Derivative InChIKey: | InChIKey=MQJMWFVKLBGZGZ-QROSIJMJSA-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: | C28H47NO |
| Molecular Weight (Monoisotopic Mass): | 413.3658 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 | 775 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References