EIC-Areas of chemical features extracted_Cassava diversity_LEAF tissue
Description
Areas of chemical features detected in cassava leaf tissue by integrating extracted ion chromatograms (EICs). Semi-polar extracts of cassava leaf tissue were analysed in an LC-MS system Agilent 6560 Q-TOF in ESI negative mode and C18 reverse phase column as chromatographic separation. Chemical features annotated by retention time (RT) and mass are arranged in rows and samples in columns.
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Steps to reproduce
Retention time alignment (maximum time shift +/- 0.2 min) and extraction of chemical features was performed by using Agilent’s Profinder (version 10.0) software in batch recursive mode. The following settings were selected to extract molecular features within a retention time (RT) range of 0.3 to 12 min: peak height threshold 1000 counts, RT tolerance +/- 0.15 min, mass tolerance 10 ppm, chlorine and formic acid adducts, and water neutral losses were also considered. Only molecular features (MF) with matching scores higher than 70 and present in at least 70% of each sample group (QC and samples) were included in the final data matrix.