Excel, CSV, SDF/MOL, SMILES, InChI, MF
It's possible to upload a structure (EICs will be created automatically) either to individual injections or
to many injections at a time in a Batch. Possible options:
- Add a single structure using SMILES, InChI, Molecular Formula (MF)
- SDF/MOL (both V2000 and V3000) with 1 or more structures:
name field (optional) will be used for the alias of the structure
injection field (optional, Batch level) determines which injections receive the structure
- 1st column: structure or MF
- 2nd column (optional): alias for the structure
- 3d column (optional, Batch level): names of injections to receive respective structures
- Possible separators are:
Excel: same columns as with CSV.
You can either upload/drag'n'drop files or just copy-paste their content directly into Peaksel forms. See demos below.
Uploading a single chemical structure (SMILES, SDF/MOL, InChI)
Add same structure to the whole batch