Using Target Compound Search

Target Compound Search is a two-step process serving for finding the presence or position of given compound (for which the user knows the spectrum) in the chromatogram. The Target Compound Search tab of the MS Search dialog opens.

  • Press the Select Compound… button to open the Select NIST Compound dialog.
  • Select the correct spectral library to use in the Library drop-down menu.
  • Type in the name of the compound into the Search field. The table below the field will start to populate with compounds from the library which have the name as similar as possible to the typed compound name.

Note:

The compound name search ignores any apostrophes, commas, dashes etc. you may type. This is the restriction of the MS Search external program.

  • Select the desired compound in the MS Library Search table.
  • Press the OK button to return to the MS Search - Target Compound Search dialog.
  • Press the Search button. The MS Chromatogram Search table will populate with chromatogram intervals where the spectra are similar to the spectrum of the compound searched for.
  • Move the Filter by Min. Match Factor slider to the right or left to improve the found intervals, or input the desired value into the edit box next to this slider.
  • Click on the interval in the MS Chromatogram Search table to display the comparison of the library spectrum with the spectrum in the interval.
  • When satisfied with the match, select the given row and press the Add Selected to Method button.