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Mass spectrometry is a powerful analytical tool that enables scientists to identify and quantify molecules with remarkable precision. At the heart of MS lies the ionization process. Understanding the different ionization methods in mass spectrometry enables selection of the most appropriate technique to accurately analyze your data.

Interpreting the pattern of lines on a mass spectrum may feel overwhelming at first glance. However, with a little background knowledge of the theory behind mass spectrometry techniques, you can begin to recognize what to look for in your mass spectrum and obtain the information you need. Read more about how ACD/Labs analytical data processing tools can help.

ACD/Labs is launching a new podcast! The Analytical Wavelength will cover industry trends and topics for scientists working with analytical data. Read on for more insights about data and the mass spectrometrist, and a link to listen to Episode 1.

The warning flag for this puzzle is evident in the intensities of the signals. For an unknown compound, the TOF-ESI+ mass spectrum below shows the expanded region around four isotope clusters at m/z 300.336 ([M+H]+), 322.307 ([M+Na]+), 599.672 ([2M+H]+) and 621.611 ([2M+Na]+). The intensities of the 13C isotopes (i.e. the [M+1] signal) vary between 40...

A key element in data interpretation is to identify any warning flags. Warning flags can help a chemist differentiate good data from bad data. For an unknown compound, the TOF-ESI+ mass spectrum below shows the expanded region around four isotope clusters at m/z 300.336 ([M+H]+), 322.307 ([M+Na]+), 599.672 ([2M+H]+) and 621.611 ([2M+Na]+). Are the intensities...

Many analytical data rely on common calculations. This puzzle covers one such common calculation. NMR and MS data were collected on two unknown compounds. The TOF-MS data shows the [M+H]+ at m/z 300.0000 and 600.000 at an error of 0.001 Da. The 500 MHz 1H NMR spectrum shows two chemical shifts at 1500.00 and 3000.00...

On the surface, both good data and poor data offer information about an unknown compound. The challenge is to differentiate between what is good data and what is poor data. The purpose of this puzzle is to examine some poor data. From an LC-MS+ TOF dataset, an unknown compound elutes at 2.86 minutes and spans...

To identify co-eluting components on a chromatogram, one searches for any distinct differences between the components. There are basically three criteria to check the XICs (extracted ion chromatograms) for to confirm whether the m/z signals pertain to the same component: line shape, signal apex and retention time range. The XICs for m/z 188.1 and 205.1...