How Does the Formula Finder Algorithm Work in Sciex OS Software?

For research use only. Not for use in diagnostic procedures.

Answer

The Formula Finder algorithm in SCIEX OS software tries to predict the possible chemical formula based on the MS and MS/MS spectrum using the precursor ion's mass accuracy, isotopic pattern and MS/MS fragmentation pattern. A high formula finder score does not always mean that the identified compound is actually the compound in the sample. Users should always use other means (such as the library search score) to confirm the compound's identity.