Predicted GC-MS Spectrum - GC-MS (TMS_1_4) - 70eV, Positive (CHEM019015)
Spectrum Details
| chemdb ID: | CHEM019015 |
|---|---|
| Compound Name: | Argatroban |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_4) - 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: | C23H36N6O5S |
| Molecular Weight (Monoisotopic Mass): | 508.2468 Da |
| Molecular Weight (Avergae Mass): | 508.634 Da |
| Derivative Type: | TMS_1_4 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[C@@H]1CCN(C(=O)[C@H](CCCN=C(N)N)NS(=O)(=O)C2=CC=CC3=C2N([Si](C)(C)C)C[C@H](C)C3)[C@@H](C(=O)O)C1)
Documentation
| Document Description | Download |
|---|---|
| List of m/z values for the spectrum | Download file |
| mzML formatted file | Download file |
References
Not Available