Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 70eV, Positive (MMDBc0022871)
Spectrum Details
| MiMe ID: | MMDBc0022871 |
|---|---|
| Compound Name: | Colletochlorin H |
| Derivative IUPAC Name: | ({8-chloro-1,1,7-trimethyl-3-[(trimethylsilyl)oxy]-3,4-dihydro-1H-2-benzopyran-5-yl}oxy)trimethylsilane |
| Derivative SMILES: | CC1=CC(O[Si](C)(C)C)=C2CC(O[Si](C)(C)C)OC(C)(C)C2=C1Cl |
| Derivative InChIKey: | InChIKey=KGFMHVDCBYOCBN-UHFFFAOYNA-N |
| 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: | C12H15ClO3 |
| Molecular Weight (Monoisotopic Mass): | 242.071 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 | 772 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References