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ACD/Labs Blog

Baljit Bains
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.

Baljit Bains
Mass spectrometry (MS) is a valuable tool that can give you vast amounts of MS data to help you identify and quantify components. MS has been used to discover, determine, and quantify sample compounds in the proteomics, metabolomics, imaging, and glycomics applications across the food, pharmaceutical, and environmental industries. Combining MS with appropriate software and computer technology allows the possibility for more extensive applications. But first, we must understand the basics.

Sarah Srokosz
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.

Charis Lam
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.

Arvin Moser
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...

Arvin Moser
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...

Arvin Moser
Many analytical data rely on common calculations. This solution shows the formula used in the calculations. 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...

Arvin Moser
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...