Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0018220)
Spectrum Details
| MiMe ID: | MMDBc0018220 |
|---|---|
| Compound Name: | Trichodermatide D |
| Derivative IUPAC Name: | (2R,7R)-2-heptanoyl-7-[(trimethylsilyl)oxy]-3,4,5,6,7,8-hexahydro-2H-1-benzopyran-5-one |
| Derivative SMILES: | CCCCCCC(=O)[C@H]1CCC2=C(C[C@@H](O[Si](C)(C)C)CC2=O)O1 |
| Derivative InChIKey: | InChIKey=BVBFKVCYFTURLC-KBXCAEBGSA-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 |
|---|---|
| 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: | C16H24O4 |
| Molecular Weight (Monoisotopic Mass): | 280.1675 Da |
| Derivative Type: | TMS_1_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 | 776 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References