In the Intact Mass app, how do the low mass range and high mass range algorithms work together? - WKB238018

ENVIRONMENT

• waters_connect
• Intact Mass app

ANSWER

In Intact Mass, processing deconvolution works like this:

1) Does a first-pass deconvolution up to 300 kDa (First Pass High Mass). If masses are found between 15 and 300 kDa, it will use the algorithm the user has selected for the high mass range (e.g., MaxEnt1) to run the deconvolution properly. It will do this to include the mass (Da) range and m/z range of the most abundant species identified in the first pass (and anything that is <20% abundant relative to this major species).

2) If no masses are found between 15 and 300 kDa, it will run a survey deconvolution up to 15 kDa (First Pass Low Mass). If masses are found between 1 and 15 kDa, it will use the algorithm the user has selected for the low mass range (e.g., BayesSpray) to run the deconvolution properly. It will do this to include the mass (Da) range and m/z range of the most abundant species identified in the first pass (and anything that is <20% abundant relative to this major species).

3) If no masses are found at 1-15 kDa, it will just return the raw spectrum with a warning saying "suspected small molecule". We can still look for masses in this, but they must be provided as m/z species (rather than in Da).

If you select None for either or both HM or LM algorithms, it will just skip that deconvolution.

ADDITIONAL INFORMATION