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Apr 13 2021 Read 6 Times
Author: Charis Lam on behalf of Advanced Chemistry Development, Inc.
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The identification of unknowns from complex samples is an intricate puzzle. Using modern techniques, the clues are many: one LC/MS run can produce several hundred time points (a 30-minute run sampled at 0.5 Hz would produce 900), each attached to an MS spectrum. Not all these points are useful though. The deformulation scientist must separate the useful signals from the noise, then work from a series of mass-to-charge signals to a putative structure.
Manually, it’s daunting. With computational help, it’s easier, but without the right help, it can still take longer than tight project deadlines would demand.