Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive (MMDBc0014710)
Spectrum Details
| MiMe ID: | MMDBc0014710 |
|---|---|
| Compound Name: | Secobotrydiene-3,4,10,15-tetraol |
| Derivative IUPAC Name: | (2E)-2-[(5S)-2-{2-hydroxy-1-[(trimethylsilyl)oxy]ethyl}-5-(hydroxymethyl)-3,3,5-trimethylcyclopent-1-en-1-yl]but-2-en-1-ol |
| Derivative SMILES: | C/C=C(/CO)C1=C(C(CO)O[Si](C)(C)C)C(C)(C)C[C@]1(C)CO |
| Derivative InChIKey: | InChIKey=HEACGEJEPZJWJM-IDMHSMTPSA-N |
| 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: | C15H26O4 |
| Molecular Weight (Monoisotopic Mass): | 270.1831 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 | 768 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References