Return to Home Page


  1. Dear colleague,

    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?

    What do you think about that…?

    Best regards,


    • I taught a course on the topic at PittCon and all the notes and presentation are available for free. Also I had a library we used at Eastman Chemical Company. Using the approach I taught in class, we were very successful in our attempts to reverse engineer surfactants in a wide variety of matrices. However, takes a little practice and study.

  2. Hi James – A very informative and concise tour of mass spectrometry and compound identification!

    • Thanks for the comment.

      Hope you are doing well, mainly doing NMR currently after retiring.

      Work for NIST as a consultant through Dakota Consulting firm.

      Hope things are going well for you. Curt Cleven and Rainey Patterson are coming to ASMS.

Leave a Reply

Fill in your details below or click an icon to log in:

WordPress.com Logo

You are commenting using your WordPress.com account. Log Out /  Change )

Google photo

You are commenting using your Google account. Log Out /  Change )

Twitter picture

You are commenting using your Twitter account. Log Out /  Change )

Facebook photo

You are commenting using your Facebook account. Log Out /  Change )

Connecting to %s

%d bloggers like this: