ShiftedIonsFinder Version 1 1 User s Manual Introduction In mass spectrometry based metabolomics it is important that the elemental composition is estimated from the accurate mass values of all the detected peaks and that the annotation of a compound is performed by comparing its analytical data with that of authentic chemicals or compounds in public databases However when the intensity of a detected peak is not within an appropriate range a deviation error from
hiftedlonsFinder Version 1 1 6 User s Manual lt Introduction gt In mass spectrometry based metabolomics it is important that the elemental composition is estimated from the accurate mass values of all the detected peaks and that the annotation of a compound is performed by comparing its analytical data with that of authentic chemicals or compounds in public databases However when the intensity of a detected peak is not within an appropriate range a deviation error