Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 70eV, Positive (MMDBc0009825)
Spectrum Details
| MiMe ID: | MMDBc0009825 |
|---|---|
| Compound Name: | 5,7-dihydroxy-2-[1-(4-methoxy-6-oxo-6H-pyran-2-yl)-2-phenylethylamino]-[1,4]naphthoquinone |
| Derivative IUPAC Name: | 2-{[1-(4-methoxy-2-oxo-2H-pyran-6-yl)-2-phenylethyl]amino}-5,7-bis[(trimethylsilyl)oxy]-1,4-dihydronaphthalene-1,4-dione |
| Derivative SMILES: | COC1=CC(=O)OC(C(CC2=CC=CC=C2)NC2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3C2=O)=C1 |
| Derivative InChIKey: | InChIKey=OVMARQNQRFBFCT-UHFFFAOYNA-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: | C24H19NO7 |
| Molecular Weight (Monoisotopic Mass): | 433.1162 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 | 774 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References