Since this tool is quite generic, it made sense to extend it to tabular files so that we can use it for target screening with the new tool. This tabular version outputs also the isotopic composition and places each peak on an individual row for each compound + adduct combination, so each row contains one isotopic peak and the information regarding which isotopes are present in this peak.
Since this tool is quite generic, it made sense to extend it to tabular files so that we can use it for target screening with the new tool. This tabular version outputs also the isotopic composition and places each peak on an individual row for each compound + adduct combination, so each row contains one isotopic peak and the information regarding which isotopes are present in this peak.