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By Amadeo Rodríguez Fernández-Alba

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Extra info for TOF-MS within food and environmental analysis

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This meant that for an m/z 301, the resolution at FWHM was 17,500, as reported in the autotune report. This resolution value allowed restricting the mass window, thus providing a higher degree of selectivity for unambiguous identification. 6 mDa, 1 mDa, and 5 ppm). 6 mDa was fixed as mass error in a first approach. Under these conditions, some compounds (a number between 8 and 17, depending on the matrix/concentration combination) escaped to the automatic search, especially at low concentrations.

A. a. a. [64] 30 TOF-MS within Food and Environmental Analysis done [57]. In addition, when using a QTOF instrument working with the collision gas on, two fragmentation approaches can be considered: the typical in-source CID and an in-cell CID, obtained by increasing collision energy values. In general, fragmentation induced in the collision cell presents more efficiency than in-source, both in the number of fragment ions obtained and in their abundance, thus leading to better mass accuracy and reproducibility [56].

Therefore, compounds with values below 60 are not usually considered for the study due to the high probability of being false positives. It is very important for the accurate mass database to also include data on the accurate masses of the characteristic in-source fragment ions. This information is essential due to the complexity of screening a high number of compounds with similar features in complex matrices at low concentration levels. The fragmentation behavior performed by the fragmentor voltage in TOF plays an important role in the combinative identification or confirmation procedure.

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