Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive (MMDBc0012213)
Spectrum Details
| MiMe ID: | MMDBc0012213 |
|---|---|
| Compound Name: | Sterhirsutin I |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | C=C1C(=O)C(OC(=O)C2(C)CC3CC4=C(OC(=O)C5(C)CC6CC7CC(O[Si](C)(C)C)=C(C)C7(C)C6C5)C(=O)C(=C)C4(C)C3C2)=C2CC3CC(C)(C(=O)O)CC3C12C |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_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: | C45H54O9 |
| Molecular Weight (Monoisotopic Mass): | 738.3768 Da |
| Derivative Type: | TMS_1_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 | 779 Bytes |
| mzML formatted file (MZML) | Download file | 4.64 KB |
References