Predicted GC-MS Spectrum - GC-MS (TMS_2_6) - 70eV, Positive (MMDBc0013215)
Spectrum Details
| MiMe ID: | MMDBc0013215 |
|---|---|
| Compound Name: | Terrelumamide B |
| Derivative IUPAC Name: | N-[(2S)-3-hydroxy-1-{[2-(methoxycarbonyl)phenyl]imino}-1-[(trimethylsilyl)oxy]propan-2-yl]-1-methyl-2-oxo-4-[(trimethylsilyl)oxy]-1,2-dihydropteridine-6-carboximidic acid |
| Derivative SMILES: | COC(=O)C1=CC=CC=C1N=C(O[Si](C)(C)C)[C@H](CO)N=C(O)C1=CN=C2C(=N1)C(O[Si](C)(C)C)=NC(=O)N2C |
| Derivative InChIKey: | InChIKey=DONAEHKZHDDQHL-SFHVURJKSA-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: | C19H18N6O7 |
| Molecular Weight (Monoisotopic Mass): | 442.1237 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 | 772 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References