Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0001940)
Spectrum Details
MiMe ID: | MMDBc0001940 |
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Compound Name: | Chaetoviridin H |
Derivative IUPAC Name: | (6aS)-6a-methyl-9-[(2S,3R)-2-methyl-3-[(trimethylsilyl)oxy]butanoyl]-3-[(3S)-3-methylpent-1-en-1-yl]-6H,6aH,8H-furo[2,3-h]isochromene-6,8-dione |
Derivative SMILES: | CC[C@H](C)C=CC1=CC2=CC(=O)[C@@]3(C)OC(=O)C(C(=O)[C@@H](C)[C@@H](C)O[Si](C)(C)C)=C3C2=CO1 |
Derivative InChIKey: | InChIKey=TYONFZFUFXCXOK-OKVDXRNQSA-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: | C23H26O6 |
Molecular Weight (Monoisotopic Mass): | 398.1729 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 | 776 Bytes |
mzML formatted file (MZML) | Download file | 4.63 KB |
References