Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 70eV, Positive (MMDBc0013140)
Spectrum Details
| MiMe ID: | MMDBc0013140 |
|---|---|
| Compound Name: | Pyranonigrin A |
| Derivative IUPAC Name: | (7R)-3,7-dihydroxy-2-[(1E)-prop-1-en-1-yl]-5-[(trimethylsilyl)oxy]-4H,7H-pyrano[2,3-c]pyrrol-4-one |
| Derivative SMILES: | C/C=C/C1=C(O)C(=O)C2=C(O1)[C@@H](O)N=C2O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=URHKZNHNQYTDML-BTDICHCPSA-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: | C10H9NO5 |
| Molecular Weight (Monoisotopic Mass): | 223.0481 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 | 773 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References