Predicted GC-MS Spectrum - GC-MS (TBDMS_1_1) - 70eV, Positive (MMDBc0004748)
Spectrum Details
| MiMe ID: | MMDBc0004748 |
|---|---|
| Compound Name: | Isonigerone |
| Derivative IUPAC Name: | 5-[(tert-butyldimethylsilyl)oxy]-10-{5-hydroxy-8,10-dimethoxy-2-methyl-4-oxo-4H-benzo[h]chromen-6-yl}-6,8-dimethoxy-2-methyl-4H-benzo[g]chromen-4-one |
| Derivative SMILES: | COC1=CC(OC)=C2C(O[Si](C)(C)C(C)(C)C)=C3C(=O)C=C(C)OC3=C(C3=C(O)C4=C(OC(C)=CC4=O)C4=C(OC)C=C(OC)C=C34)C2=C1 |
| Derivative InChIKey: | InChIKey=SLPLBLBIUKVHEO-UHFFFAOYSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TBDMS_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: | C32H26O10 |
| Molecular Weight (Monoisotopic Mass): | 570.1526 Da |
| Derivative Type: | TBDMS_1_1 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: COC1=CC(OC)=C2C(O[Si](C)(C)C(C)(C)C)=C3C(=O)C=C(C)OC3=C(C3=C(O)C4=C(OC(C)=CC4=O)C4=C(OC)C=C(OC)C=C34)C2=C1)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 745 Bytes |
| mzML formatted file (MZML) | Download file | 4.67 KB |
References
Not Available