Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (T3D4759)
Spectrum Details
| T3DB ID: | T3D4759 |
|---|---|
| Compound Name: | Liothyronine |
| Derivative IUPAC Name: | (2S)-2-amino-3-(3,5-diiodo-4-{3-iodo-4-[(trimethylsilyl)oxy]phenoxy}phenyl)propanoic acid |
| Derivative SMILES: | C[Si](C)(C)OC1=CC=C(OC2=C(I)C=C(C[C@H](N)C(=O)O)C=C2I)C=C1I |
| Derivative InChIKey: | InChIKey=HJIHFYBJBIJMDI-HNNXBMFYSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_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: | C15H12I3NO4 |
| Molecular Weight (Monoisotopic Mass): | 650.79 Da |
| Derivative Type: | TMS_1_1 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC1=CC=C(OC2=C(I)C=C(C[C@H](N)C(=O)O)C=C2I)C=C1I)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 744 Bytes |
| mzML formatted file (MZML) | Download file | 4.68 KB |
References
Not Available