J Am Soc Mass Spectrom 1999, 10, 1166–1173 Automation of a Fourier transform ion cyclotron resonance mass spectrometer for acquisition, analysis, and e-mailing of high-resolution exact-mass electrospray ionization mass spectral data. This template is based on an table from: Huang N. The successful detection of adduct ions requires either pure mass spectra or a deconvolution and peak detection or peak picking step prior adduct assignment. You may check out IntelliXtract or esi - a R package for annotation of LC/ESI-MS Mass Signals using xcms. Actually this task should be done by every good LC-MS software automatically, directly integrated, no questions asked. This calculator allows to identify some adduct ions from ESI-MS (electrospray) mass spectrometry measurements or other soft ionization techniques like CI-MS or FI-MS or FD-MS or APCI-MS or MALDI-TOF.
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