Predicted GC-MS Spectrum - GC-MS (TBDMS_2_3) - 70eV, Positive (MMDBc0016073)
Spectrum Details
| MiMe ID: | MMDBc0016073 |
|---|---|
| Compound Name: | Violacein |
| Derivative IUPAC Name: | 3-{5-[1-(tert-butyldimethylsilyl)-5-hydroxy-1H-indol-3-yl]-2-[(tert-butyldimethylsilyl)oxy]-1H-pyrrol-3-yl}-2H-indol-2-one |
| Derivative SMILES: | CC(C)(C)[Si](C)(C)OC1=C(C2=C3C=CC=CC3=NC2=O)C=C(C2=CN([Si](C)(C)C(C)(C)C)C3=CC=C(O)C=C23)[NH]1 |
| Derivative InChIKey: | InChIKey=NWDWUXVAEOKAST-UHFFFAOYSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TBDMS_2_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: | C20H13N3O3 |
| Molecular Weight (Monoisotopic Mass): | 343.0957 Da |
| Derivative Type: | TBDMS_2_3 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(C)(C)[Si](C)(C)OC1=C(C2=C3C=CC=CC3=NC2=O)C=C(C2=CN([Si](C)(C)C(C)(C)C)C3=CC=C(O)C=C23)[NH]1)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 748 Bytes |
| mzML formatted file (MZML) | Download file | 4.67 KB |
References
Not Available