Predicted GC-MS Spectrum - GC-MS (TMS_4_4) - 70eV, Positive (MMDBc0014531)
Spectrum Details
| MiMe ID: | MMDBc0014531 |
|---|---|
| Compound Name: | Sterenin I |
| Derivative IUPAC Name: | 4-{[3-(acetyloxy)-2-hydroxypropoxy]methyl}-2-(3-methylbut-2-en-1-yl)-3-[(trimethylsilyl)oxy]-5-{[(trimethylsilyl)oxy]methyl}phenyl 2-methyl-4,6-bis[(trimethylsilyl)oxy]benzoate |
| Derivative SMILES: | CC(=O)OCC(O)COCC1=C(CO[Si](C)(C)C)C=C(OC(=O)C2=C(C)C=C(O[Si](C)(C)C)C=C2O[Si](C)(C)C)C(CC=C(C)C)=C1O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=NKFKEWMPAHXYDQ-UHFFFAOYNA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_4_4) - 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: | C26H32O10 |
| Molecular Weight (Monoisotopic Mass): | 504.1995 Da |
| Derivative Type: | TMS_4_4 |
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 | 785 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References