Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 70eV, Positive (MMDBc0013945)
Spectrum Details
| MiMe ID: | MMDBc0013945 |
|---|---|
| Compound Name: | 19-hydroxypenitrem A |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | C=C(C)[C@H]1O[C@H]2CC[C@@]3(C)[C@@](O[Si](C)(C)C)(CC[C@@]4(O)[C@@H]5OC(C)(C)[C@H]6C[C@@H]7C(=C)CC8=C(Cl)C=C9NC(=C5C9=C8[C@@]76O[Si](C)(C)C)[C@@]43C)[C@]23O[C@@H]3[C@H]1O |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_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: | C37H44ClNO7 |
| Molecular Weight (Monoisotopic Mass): | 649.2806 Da |
| Derivative Type: | TMS_2_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 | 778 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References