[b] RT values measured in our lab using the experiment conditions as close as possible to those reported by the authors of METLIN SMRT dataset . The main difference was the dwell volume, which was 900 L for METLIN SMRT and 420 L in our experiment. s, as over 95% of the experimental data lay within this range. The model and optimal prediction conditions were implemented into an existing in-house LC-MS viewing tool.