Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0022899)
Spectrum Details
| MiMe ID: | MMDBc0022899 |
|---|---|
| Compound Name: | (R,E)-3-(2,2-dimethylchroman-6-yl)-4-hydroxy-5-((2-(2-hydroxypropan-2-yl)-2,3-dihydrobenzofuran-5-yl)methylene)furan-2(5H)-one |
| Derivative IUPAC Name: | (5E)-3-(2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)-5-{[(2R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]methylidene}-4-[(trimethylsilyl)oxy]-2,5-dihydrofuran-2-one |
| Derivative SMILES: | CC1(C)CCC2=CC(C3=C(O[Si](C)(C)C)/C(=C\C4=CC=C5O[C@@H](C(C)(C)O)CC5=C4)OC3=O)=CC=C2O1 |
| Derivative InChIKey: | InChIKey=DJRNOZOIQGQFSE-JIOFHBDDSA-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: | C27H28O6 |
| Molecular Weight (Monoisotopic Mass): | 448.1886 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 | 769 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References