Predicted GC-MS Spectrum - GC-MS (TMS_2_6) - 70eV, Positive (MMDBc0016106)
Spectrum Details
| MiMe ID: | MMDBc0016106 |
|---|---|
| Compound Name: | Nigerloxin |
| Derivative IUPAC Name: | 2-hydroxy-5-methoxy-4-methyl-3-[(1E)-prop-1-en-1-yl]-N-(trimethylsilyl)-6-{[(trimethylsilyl)oxy]carbonyl}benzene-1-carboximidic acid |
| Derivative SMILES: | C/C=C/C1=C(C)C(OC)=C(C(=O)O[Si](C)(C)C)C(C(O)=N[Si](C)(C)C)=C1O |
| Derivative InChIKey: | InChIKey=HYZSTOCAPQIXTC-ZHACJKMWSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_6) - 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: | C13H15NO5 |
| Molecular Weight (Monoisotopic Mass): | 265.095 Da |
| Derivative Type: | TMS_2_6 |
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 | 766 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References