Predicted GC-MS Spectrum - GC-MS (TMS_4_1) - 70eV, Positive (T3D3955)
Spectrum Details
| T3DB ID: | T3D3955 |
|---|---|
| Compound Name: | Tetracycline |
| Derivative IUPAC Name: | (4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-6-hydroxy-6-methyl-1,11-dioxo-3,10,12,12a-tetrakis[(trimethylsilyl)oxy]-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide |
| Derivative SMILES: | CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(N)=O)C(=O)[C@@]2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]12 |
| Derivative InChIKey: | InChIKey=PALVHAJQUISDNF-UWDCHBTQSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_4_1) - 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: | C22H24N2O8 |
| Molecular Weight (Monoisotopic Mass): | 444.1533 Da |
| Derivative Type: | TMS_4_1 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(N)=O)C(=O)[C@@]2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]12)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 756 Bytes |
| mzML formatted file (MZML) | Download file | 4.68 KB |
References
Not Available