Expected columns: mass (required), optional: name, id
Default 5 ppm; switch to u for absolute mass.
Search CF2/CFH variants. Disable for faster exact matching.
Max CF2/CFH units to add/remove (0-20). Higher = slower.
Results
| Row ID | Input Mass | Match Mass | Delta (ppm) | Series | Adduct | PubChem CID | SMILES | PFAS_Groups |
|---|
Summary Statistics
PFAS Groups Reference
You can download the current server PFAS groups JSON as a template. Any custom JSON you later upload in other tools must follow the same structure (array of objects with keys like id, name, alias, main_group, smarts1, optional smarts2, componentSmarts, constraints, definition). The server sanitizes input to remove unknown keys and unsafe values.