Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0018127)
Spectrum Details
MiMe ID: | MMDBc0018127 |
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Compound Name: | Chaetoviridin G |
Derivative IUPAC Name: | (6aS,9aR)-5-chloro-6a-methyl-9-{2-methyl-1-[(trimethylsilyl)oxy]but-2-en-1-ylidene}-3-[(3S)-3-methylpent-1-en-1-yl]-6H,6aH,8H,9H,9aH-furo[2,3-h]isochromene-6,8-dione |
Derivative SMILES: | CC=C(C)C(O[Si](C)(C)C)=C1C(=O)O[C@]2(C)C(=O)C(Cl)=C3C=C(C=C[C@@H](C)CC)OC=C3[C@H]12 |
Derivative InChIKey: | InChIKey=GMUSQOBWTXAWPN-YIHKWUSESA-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 |
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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: | C23H25ClO5 |
Molecular Weight (Monoisotopic Mass): | 416.1391 Da |
Derivative Type: | TMS_1_1 |
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document Description | Download | File Size |
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Generated list of m/z values for the spectrum (TSV) | Download file | 774 Bytes |
mzML formatted file (MZML) | Download file | 4.63 KB |
References