I have another question to you regarding the surfactants ID (excel sheet) available in your site.
How do you start or what is your strategy? After you see a PEG surfactant (ex. NIS; + mode; without aromaticity) from your LC-MS chromatogram and after you calculate the RMW (low resolution) you try to find it by sorting the “Literature-Real samples” sheet. After that you can also calculate the KMD (just for high resolution) and sorting in the same way. So, this approach is for PEG surfactants but also for other surfactants type, right (e.g. SDS or LAS? Anyway the TSCA PEG are just to help to identify PEG-based surfactants, right?
Although this approach you don’t think that is always much better to have a LC-MS library dedicated to surfactants?