Recording, processing and evaluation of raw data was accomplished using TraceFinder 4.1 EFS Software (Thermo Fisher Scientific; Dreieich, Germany). Validation results were analyzed with Microsoft Excel 2016.
Tracefinder 4.1 efs software
Manufactured by Thermo Fisher Scientific
Sourced in Germany, United States
TraceFinder 4.1 EFS Software is a software platform designed for analytical laboratories. It provides tools for data acquisition, processing, and reporting of analytical results. The software supports a range of analytical techniques and instrumentation used in various applications, such as environmental, food, and pharmaceutical analysis.
Automatically generated - may contain errors
Lab products found in correlation
2 protocols using tracefinder 4.1 efs software
1
Analytical Data Processing and Validation
2
Suspect and Non-target Screening of Transformation Products
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Suspect screening was carried out using TraceFinder 4.1 EFS software (Thermo Scientific, MA, USA). Suspect lists of potential TPs for target compounds were used, which considered a number of known redox, hydrolysis and conjugation reactions ( Men et al., 2016 ) . Suspected TPs with an intensity above a set threshold, > 70% match with the predicted isotopic patterns, and an increasing trend over the time course, were selected for further identification ( Men et al., 2016 ) .
Non-target screening was further performed to identify potential TPs. TP candidates were chosen following the criteria: (1) a reasonable peak shape and an intensity above noise; (2) presence in the antibiotic-added treatments and absence in non-antibiotic treatment; (3) a reasonable time-series pattern (i.e., increase, or increase and subsequent decrease during the experiment); and (4) a rational molecular formula originated from the exact mass of
(with < 5 ppm tolerance) and isotopic pattern (isotope ratio difference < 10%). Because the reference standards for TP candidates were not commercially available, the peak area of TPs are only used to indicate the formation trend but not for quantification.
Non-target screening was further performed to identify potential TPs. TP candidates were chosen following the criteria: (1) a reasonable peak shape and an intensity above noise; (2) presence in the antibiotic-added treatments and absence in non-antibiotic treatment; (3) a reasonable time-series pattern (i.e., increase, or increase and subsequent decrease during the experiment); and (4) a rational molecular formula originated from the exact mass of
(with < 5 ppm tolerance) and isotopic pattern (isotope ratio difference < 10%). Because the reference standards for TP candidates were not commercially available, the peak area of TPs are only used to indicate the formation trend but not for quantification.
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