Predicted GC-MS Spectrum - GC-MS (TMS_2_3) - 70eV, Positive (MMDBc0008650)
Spectrum Details
| MiMe ID: | MMDBc0008650 |
|---|---|
| Compound Name: | N-{1-[4-(acetylamino)phenyl]-3-hydroxy-1-(1H-indol-3-yl)propan-2-yl}-2,2-dichloroacetamide |
| Derivative IUPAC Name: | 2,2-dichloro-N-{3-hydroxy-1-[1-(trimethylsilyl)-1H-indol-3-yl]-1-[4-({1-[(trimethylsilyl)oxy]ethylidene}amino)phenyl]propan-2-yl}ethanimidic acid |
| Derivative SMILES: | CC(=NC1=CC=C(C(C2=CN([Si](C)(C)C)C3=CC=CC=C23)C(CO)N=C(O)C(Cl)Cl)C=C1)O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=HOVUJWAEZBPGOW-UHFFFAOYNA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_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: | C21H21Cl2N3O3 |
| Molecular Weight (Monoisotopic Mass): | 433.096 Da |
| Derivative Type: | TMS_2_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 | 776 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References