Liquid Chromatography Mass Spectrometry (LC-MS) Fingerprint Combined with Chemometrics for Identification of Metabolites Content and Biological Activities of Curcuma aeruginosa

Dewi Anggraini Septaningsih(1*), Latifah Kosim Darusman(2), Farit Mochamad Afendi(3), Rudi Heryanto(4)

(1) Department of Chemistry, Faculty of Mathematics and Natural Sciences, Bogor Agricultural University Biopharmaca Research Center, Bogor Agricultural University
(2) Department of Chemistry, Faculty of Mathematics and Natural Sciences, Bogor Agricultural University Biopharmaca Research Center, Bogor Agricultural University
(3) Biopharmaca Research Center, Bogor Agricultural University Department of Statistic, Faculty of Mathematics and Natural Sciences, Bogor Agricultural University
(4) Department of Chemistry, Faculty of Mathematics and Natural Sciences, Bogor Agricultural University Biopharmaca Research Center, Bogor Agricultural University
(*) Corresponding Author


Curcuma aeruginosa is known as one of the components of herbal medicine with various biological activities. This research aims to identify the metabolites content of C. aeruginosa related to their biological activities using LC-MS fingerprint combined with chemometrics. C. aeruginosa from 3 areas in Java were collected and macerated with ethanol and then analyzed with LC-MS. Along with this analysis, the antioxidant activity of all samples was determined using CUPRAC method, and the toxicity was determined using Brine Shrimp Lethality Test (BSLT), and chemometric method was used Principle Component Analysis (PCA) and Partial Least square (PLS). Metabolites profiles showed 175 predicted compounds, in which the dominant compounds are from the sesquiterpene of Curcuma genus. The PCA metabolites profiles can separate the samples by their location of origin. Interpretation of the correlation between metabolites profiles and their bioactivities was determined using PLS technique. The results showed that the toxicity of samples was exerted by compounds with ion mass of 312.28 and 248.15, which have the highest antioxidant and toxicity potentials. Compounds with ion mass of 248.15 were predicted to be 9-Oxo-neoprocurcumenol, 7α,11α,-Epoxy-5β-hydroxy-9-guaiaen-8-one, Curcumenolactone A, or Curcumenolactone B. While compound with ion mass of 312.28 was predicted to tetrahydro-bisdemethoxycurcumin.


C. aeruginosa; liquid chromatography-mass spectrometry; chemometric; bioactivity

Full Text:

Full Text PDF


[1] Atun, S., Arianingrum, R., Aznam, N., and ab Malek, S.N., 2016, Isolation of sesquiterpenes lactone from Curcuma aeruginosa rhizome and the cytotoxic activity against human cancer cell lines, Int. J. Pharmacogn. Phytochem. Res., 8 (7), 1168–1172.

[2] Setiyono, A., and Bermawie, N., 2013, Potensi tanaman obat untuk penanggulangan flu burung: Uji in vitro pada sel vero, J. Sains Veteriner, 31 (1), 27–34.

[3] Theanphong, O., Mingvanish, W., and Kirdmanee, C., 2015, Chemical constituents and biological activities of essential oil from Curcuma aeruginosa Roxb. rhizome, Bull. Health Sci. Technol., 13 (1), 6–16.

[4] Kamazeri, T.S.A.T., Abd Samah, O., Taher, M., Susanti, D., and Qaralleh, H., 2012, Antimicrobial activity and essential oils of Curcuma aeruginosa, Curcuma mangga, and Zingiber cassumunar from Malaysia, Asian Pac. J. Trop. Med., 5 (3), 202–209.

[5] Liang, X.M., Jin, Y., Wang, Y.P., Jin, G.W., Fu, Q., and Xiao, Y.S., 2009, Qualitative and quantitative analysis in quality control of traditional Chinese medicines, J. Chromatogr. A, 1216 (11), 2033–2044.

[6] Hestianah, E.P., Kusumawati, I., Suwanti, L.T., and Subekti, S., 2014, Toxic compounds of Curcuma aeruginosa causes necrosis of mice hepatocytes, Univ. Med., 33 (2), 118–125.

[7] Yi, L.Z., Yuan, D.L., Liang, Y.Z., Xie, P.S., and Zhao, Y., 2007, Quality control and discrimination of pericarpium citri reticulatae and pericarpium citri reticulatae viride based on high-performance liquid chromatographic fingerprints and multivariate statistical analysis, Anal. Chim. Acta, 588 (2), 207–215.

[8] Rohaeti, E., Rafi, M., Syafitri, U.D., and Heryanto, R., 2015, Fourier transform infrared spectroscopy combined with chemometrics for discrimination of Curcuma longa, Curcuma xanthorrhiza and Zingiber cassumunar, Spectrochim. Acta, Part A, 137, 1244–1249.

[9] Wang, Y., Tang, H., Nicholson, J.K., Hylands, P.J., Sampson, J., Whitcombe, I., Stewart, C.G., Caiger, S., Oru, I., and Holmes, E., 2004, Metabolomic strategy for the classification and quality control of phytomedicine: A case study of chamomile flower (Matricaria recutita L.), Planta Med., 70 (3), 250–255.

[10] Wishart, D.S., and Greiner, R., 2007, Computational approaches to metabolomics: An introduction, Pac. Symp. Biocomput., 12, 112–114.

[11] Patti, G.J., Yanes, O., and Siuzdak, G., 2012, Innovation: Metabolomics: The apogee of the omics trilogy, Nat. Rev. Mol. Cell Biol., 13 (4), 263–269.

[12] De Vos, R.C., Moco, S., Lommen, A., Keurentjes, J.J., Bino, R.J., and Hall, R.D., 2007, Untargeted large-scale plant metabolomics using liquid chromatography coupled to mass spectrometry, Nat. Protoc., 2 (4), 778–791.

[13] Farag, M.A., Porzel, A., and Wessjohann, L.A., 2012, Comparative metabolite profiling and fingerprinting of medicinal licorice roots using a multiplex approach of GC-MS, LC-MS and 1D NMR techniques, Phytochemistry, 76, 60–72.

[14] Khairan, Jenie, U.A., and Sudiyo, R.S., 2009, Fragmentation studies of Δ6,7-Anhidroeritromisin-A by Liquid Chromatography-Mass Spectroscopy (LC-MS), Indones. J. Chem., 9 (3), 491–499.

[15] Steenkamp, P.A., Harding, N.M., van Heerden, F.R., and van Wyk, B.E., 2006, Identification of atractyloside by LC–ESI–MS in alleged herbal poisonings, Forensic Sci. Int., 163 (1-2), 81–92.

[16] Lee, D.Y., Kim, J.K., Shrestha, S., Seo, K.H., Lee, Y.H., Noh, H.J., Kim, G.S., Kim, Y.B., Kim, S.Y., and Baek, N.I., 2013, Quality evaluation of panax ginseng roots using a rapid resolution LC-QTOF/MS-based metabolomics approach, Molecules, 18 (12), 14849–1486.

[17] James, J.T., Tugizimana, F., Steenkamp, P.A., and Dubery, I.A., 2013, Metabolomic analysis of methyl jasmonate-induced triterpenoid production in the medicinal herb Centella asiatica (L.) urban, Molecules, 18 (4), 4267–4281.

[18] Tanaka, K., Arita, M., Sakurai, H., Ono, N., and Tezuka, Y., 2015, Analysis of chemical properties of edible and medicinal ginger by metabolomics approach, Biomed Res. Int., 671058.

[19] Farrés, M., Piña, B., and Tauler, R., 2016, LC-MS based metabolomics and chemometrics study of the toxic effects of copper on Saccharomyces cerevisiae, Metallomics, 8 (8), 790–798.

[20] Liu, F., Bai, X., FQ, Yang, F.Q., Zhang, X.J., Hu, Y., Li, P., and Wan J.B., 2016, Discriminating from species of Curcumae Radix (Yujin) by a UHPLC/Q-TOFMS-based metabolomics approach, Chin. Med., 11, 21.

[21] Kim, J., Choi, J.N., Kang, D., Son, G.H., Kim, Y.S., Choi, H.K., Kwon, D.Y., and Lee, C.H., 2011, Correlation between antioxidative activities and metabolite changes during Cheonggukjang fermentation, Biosci. Biotechnol. Biochem., 75 (4), 732–739.

[22] Anonymous, 2005, Badan Pengawas Obat dan Makanan Republik Indonesia, BPOM RI, Jakarta.

[23] Apak, R., Güçlü, K., Özyürek, M., and Çelik, S.E., 2008, Mechanism of antioxidant capacity assays and the CUPRAC (cupric ion reducing antioxidant capacity) assay, Microchim. Acta, 160 (4), 413–419.

[24] Krishnaraju, A.V., Rao, T.V.N., Sundararaju, D., Vanisree, M., Sheng Tsay, H.S., and Subbaraju, G.V., 2005, Assessment of bioactivity of Indian medicinal plants using brine shrimp (Artemia salina) lethality assay, Int. J. Appl. Sci. Eng., 3 (2), 125–134.

[25] Theodoridis, G.A., Gika, H.G., Want, E.J., and Wilson, I.D., 2012, Liquid chromatography-mass spectrometry based global metabolite profiling: a review, Anal. Chim. Acta, 711, 7–16.

[26] Maisuthisakul, P., Pasuk, S., and Ritthiruangdej, P., 2008, Relationship between antioxidant properties and chemical composition of some Thai plants, J. Food Compos. Anal., 21 (3), 229–240.

[27] Olowa, L.F., and Nuñeza, O.M., 2013, Brine shrimp lethality assay of the ethanolic extracts of three selected species of medicinal plants from Iligan City, Philippines, Int. Res. J. Biol. Sci., 2 (11), 74–77.

[28] Kim, E.J., Kwon, J., Park, S.H., Park, C., Seo, Y.B., Shin, H.K., Kim, H.k., Lee, K.S., Choi, S.Y., Ryu, D.Y., and Hwang, G.O., 2011, Metabolite profiling of Angelica gigas from different geographical origins using 1H-NMR and UPLC-MS analyses, J. Agric. Food. Chem., 59 (16), 8806–8815.

[29] Ravindran, P.N., Babu, K.N., and Sivaraman, K., 2007, Turmeric: The Genus Curcuma, CRC Press, New York.


Article Metrics

Abstract views : 247 | views : 342


  • There are currently no refbacks.

Copyright (c) 2018 Indonesian Journal of Chemistry

Creative Commons License
This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License.

Indones. J. Chem. indexed by:

ISSN 1411-9420 (Print), ISSN 2460-1578 (online).

Analytics View The Statistics of Indones. J. Chem.