I have no specific help, but tell us clearly: You identified the known M/Z for some peaks out of spec. Then you ran again, and the peaks misidentified. Did your recalibration not get saved? Or was it saved, and the peaks drifted more? What's the window on M/Z for such an instrument? I'd like to assume its 1 AMU, but I could be expected too much, so maybe you are too?