Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 70eV, Positive (MMDBc0022898)
Spectrum Details
| MiMe ID: | MMDBc0022898 |
|---|---|
| Compound Name: | 1-(2,2-dimethylchroman-6-yl)-3-(4-hydroxyphenyl)propan-2-one |
| Derivative IUPAC Name: | 4-[3-(2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)-2-[(trimethylsilyl)oxy]prop-2-en-1-yl]phenol |
| Derivative SMILES: | CC1(C)CCC2=CC(C=C(CC3=CC=C(O)C=C3)O[Si](C)(C)C)=CC=C2O1 |
| Derivative InChIKey: | InChIKey=PCGZMABBNGDNEP-UHFFFAOYSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 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: | C20H22O3 |
| Molecular Weight (Monoisotopic Mass): | 310.1569 Da |
| Derivative Type: | TMS_1_3 |
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