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Logic Puzzle #42: How to Convert to PPM for NMR and MS Data?

May 22, 2013
by Arvin Moser, Team Manager, Application Scientists, ACD/Labs

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 Hz referenced to TMS at 0.00 Hz.

Convert the MS error and NMR shifts to PPM.


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