Predicted GC-MS Spectrum - GC-MS (TMS_2_9) - 70eV, Positive (CHEM023128)
Spectrum Details
| chemdb ID: | CHEM023128 |
|---|---|
| Compound Name: | Neobetanin |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_9) - 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: | C24H24N2O13 |
| Molecular Weight (Monoisotopic Mass): | 548.1278 Da |
| Molecular Weight (Avergae Mass): | 548.457 Da |
| Derivative Type: | TMS_2_9 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC1=CC2=C(C=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)CC(C(=O)O)N2C=CC1=CC(C(=O)O)=NC(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