Predicted GC-MS Spectrum - GC-MS (TMS_3_2) - 70eV, Positive (LMDB00225)
Spectrum Details
| LMDB ID: | LMDB00225 |
|---|---|
| Compound Name: | Glycoursodeoxycholic acid |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_3_2) - 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: | C26H43NO5 |
| Molecular Weight (Monoisotopic Mass): | 449.3141 Da |
| Molecular Weight (Avergae Mass): | 449.6233 Da |
| Derivative Type: | TMS_3_2 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[C@H](CCC(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O[Si](C)(C)C)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)
Documentation
| Document Description | Download |
|---|---|
| List of m/z values for the spectrum | Download file |
| mzML formatted file | Download file |
References
Not Available