| find_untargeted_ionpair {MRMLinear} | R Documentation |
Our research group first introduced the concept of pseudotargeted metabolomics using the retention time locking
GC-MS-selected ions monitoring in 2012. The pseudotargeted metabolomics method was extended to LC-MS in 2013. To define
ion pairs automatically and systematically, the in-house software “Mul-tiple Reaction Monitoring-Ion Pair Finder (MRM-Ion
Pair Finder)” was developed, which made defining of the MRM transitions for untargeted metabolic profiling easier and
less time consuming. Recently, MRM-Ion Pair Finder was updated to version 2.0. The new version is more convenient, consumes
less time and is also suitable for negative ion mode. And the function of MRM-Ion Pair Finder is also performed in R so
that users have more options when using pseudotargeted method.
find_untargeted_ionpair(ms2,
ms1 = NULL,
diff.MS2MS1 = 0.05,
ms2.intensity = 0.05);https://github.com/zhengfj1994/MRM-Ion_Pair_Finder