| Description |
The data matrix was aligned using MassLynx ver. 4.1 (Waters). After alignment, de-isotoping, and cutoff of the low-intensity peaks (<500 counts) and the intensity values of the remaining peaks were divided by those of lidocaine ([M + H]+, m/z 235.1804) for normalization. The processed data were used for PCA using SIMCA-P 11.5. The log2-transformed value was used for HCA using MeV 4.8 (http://mev.tm4.org/). All metabolome data acquired by LC‒QTOF‒MS were deposited at DROP Met in PRIMe (http://prime.psc.riken.jp/) and are freely available. These data were also deposited in MetaboLights (accession number MTBLS57) (Steinbeck et al., 2012; Salek et al., 2013) and MetabolomeExpress (Carroll et al., 2010). |