Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 70eV, Positive (MMDBc0024473)
Spectrum Details
| MiMe ID: | MMDBc0024473 |
|---|---|
| Compound Name: | 10,11-dihydroxylaureonitol |
| Derivative IUPAC Name: | (2S,3R,4S)-4-[(1E,3R,4R)-3,4-bis[(trimethylsilyl)oxy]pent-1-en-1-yl]-2-[(1E)-buta-1,3-dien-1-yl]oxolan-3-ol |
| Derivative SMILES: | C=C/C=C/[C@@H]1OC[C@H](/C=C/[C@@H](O[Si](C)(C)C)[C@@H](C)O[Si](C)(C)C)[C@H]1O |
| Derivative InChIKey: | InChIKey=YZAUYDWWOREIRC-HDMKCYLESA-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: | C13H20O4 |
| Molecular Weight (Monoisotopic Mass): | 240.1362 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 | 771 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References