Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0022900)
Spectrum Details
| MiMe ID: | MMDBc0022900 |
|---|---|
| Compound Name: | (R)-4-((2,2-dimethylchroman-6-yl)methyl)-3-(4-hydroxyphenyl)- 5-methoxyfuran-2(5H)-one |
| Derivative IUPAC Name: | (5R)-4-[(2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)methyl]-5-methoxy-3-{4-[(trimethylsilyl)oxy]phenyl}-2,5-dihydrofuran-2-one |
| Derivative SMILES: | CO[C@@H]1OC(=O)C(C2=CC=C(O[Si](C)(C)C)C=C2)=C1CC1=CC=C2OC(C)(C)CCC2=C1 |
| Derivative InChIKey: | InChIKey=ZWPCMRYBRGECAR-RUZDIDTESA-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: | C23H24O5 |
| Molecular Weight (Monoisotopic Mass): | 380.1624 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 | 773 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References