1. In silico MS/MS data of virtual molecules
Please import your .txt file containing the SMILES of virtual molecules
| No. | Formula | PEPMASS | 10eV | 20eV | 40eV |
|---|---|---|---|---|---|
| 1 | |||||
| 2 | |||||
| 3 | |||||
| 4 |
2. Auto neutral losses spectrum
Please import your .mgf file for analysis
| No. | Formula | PEPMASS | 10eV | 20eV | 40eV |
|---|---|---|---|---|---|
| 1 | |||||
| 2 | |||||
| 3 | |||||
| 4 |
3. Auto characteristic data
| Characteristic ion | Intensity | Characteristic NL | Intensity |
|---|---|---|---|
4. Auto crude metabolites filter
Please import your .mgf file for analysis
Please import your .csv file for analysis
Ion
NL