mzMine weired issue
Posted: Tue Jul 07, 2015 7:20 pm
I have been working with mzMine, mostly on reading the mzXML data generated by Compass Bruker program and looking for the exact masses and retention times of the compounds to qualify LCMS peaks. Today I have faced with a weird issue. When mzMine looks for the exact masses from mzXML data (targeted peak detection) with +-0.01 mass accuracy, it cannot find the compound; however it can find the compound when the accuracy is set to +-0.02. Its weird because the compound within (+-0.01 mass accuracy) does exist in the spectra (checked it) but mzMine cannot find the compound within this +-0.01 window. Anyone had this issue?