Extracting chromatograms
Each detector run with spectra produces a Total chromatogram (aka trace). Each point of such chromatogram is a sum of intensities on the spectra.
But it’s possible to extract pieces of that spectra into an Extracted Chromatogram:
-
To create a Mass Spec EIC, add an Analyte. Extracted chromatogram is created automatically. You can further control which ions are used for detection (Qualifier Ions) and for Area calculation (Quantifier Ions) in Adducts, Multiply charged species, isotope patterns window.
-
To extract a DAD/PDA wavelength, press Edit (pencil)→Extract chromatogram. See DAD/PDA: Extracted and Reference wavelengths
Transient Traces
For a quick peek at a chromatogram without extracting it, use Transient Traces. For this just open some spectrum, and click on some mass/wavelength/etc.
Peaksel will extract a trace on UI but won’t store anything in the database. This way you can quickly see which of the mass/wavelength produce peaks before making decisions about the extraction.
Additional features:
-
To extract a full-blown chromatogram, then just double-click on that value.
-
To extract multiple Transient Traces, hold shift when clicking on the spectrum