Supplementary Information for
Profiling of the charged metabolites of traditional herbal medicines using capillary electrophoresis time-of-flight mass spectrometry
Keiko Iino1,2¸ Masahiro Sugimoto1,3,¸ Tomoyoshi Soga1,2,3¸ and Masaru Tomita1,2,3
*Corresponding author: E-mail:
1Institute for Advanced Biosciences, Keio University, Tsuruoka, Yamagata 997-0052, Japan,
2Department of Environment and Information Studies, Keio University, Fujisawa, Kanagawa 252-8520, Japan
3Systems Biology Program, Graduate School of Media and Governance, Keio University, Fujisawa, Kanagawa 252-8520, Japan
Supplementary Information Table 1. Pharmacological effects of herbal medicines
Toki / removing blood stasis, tonic, tranquilizer, painkiller, alleviating anemia, abdominal pain, general aching of the body, irregular menstruation, dysmenorrhea, and menstrual pain, treating blood circulation and menopausal disorders
Senkyu / removing blood stasis, tonic, tranquilizer, painkiller, alleviating anemia, poor circulation and dysmenorrhea
Takusha / diuretic effect, antidiarrheal effect, treatment of oliguria, frequent urination, dizziness, thirst, and retention of water in the stomach
Shakuyaku / painkiller, antispasmodic, treatment of rectus abdominis spasm, gastrointestinal convulsion and liver pain, oligomenorrhea, limb convulsion, and vertigo
Bukuryo / diuretic effect, tranquilizer, treatment of edema with urination disorder, oliguria, dizziness, palpitations, mental instability, insomnia, convulsions, and retention of water in the stomach
Sojutsu / diuretic effect, diaphoretic effect, stomachic effect, antidiarrheal effect, treatment of indigestion, diarrhoea, and muscle diseases
Note; Data were obtained from the category of clinical application at “The data base of ethno-medicines in the world” (http://ethmed.u-toyama.ac.jp/Search_eng/). Underlined items are visualized in Fig. 1c.
Supplementary Information Figure 1. Loading plots for the first and second PCs. 119 annotated metabolites are shown on the loading plot map. The red colored metabolites showed higher negative loading score values at first PC.
Supplementary Information Figure 2. Representative metabolite concentrations showing a large bias. a The average concentrations of 3-methylhistidine, spermidine, adenosine, pipecolate, tryptophan, thiamine and uridine of Toki and Senkyu(with red box) were higher than those of Takusha, Shakuyaku, Bukuryo and Sojutsu. b The average concentration of agmatine of Takusha, Bukuryo and Sojutsu (red box) was higher than that of Toki, Senkyu and Shakuyaku.
Supplementary Information Figure 3. Quantified shikimate derived and nucleic acid related metabolites. The levels of a seven shikimate derived alkaloids and b three xanthine-derived nucleic acids are shown as bar graphs.
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