HPLC–QTOF–MS/MS-based rapid screening of phenolics and triterpenic acids in leaf extracts of Ocimum species and their interspecies variation

Pandey, Renu; Kumar, Brijesh

doi:10.1080/10826076.2016.1148048

Cited by 68Phytochemicals and Medicinal PlantsChromatography in Natural ProductsTraditional Chinese Medicine Analysis

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HPLC–QTOF–MS/MS-based rapid screening of phenolics and triterpenic acids in leaf extracts of Ocimum species and their interspecies variation

Pandey, Renu, Kumar, Brijesh·2016·Journal of Liquid Chromatography & Related Technologies

DOI 10.1080/10826076.2016.1148048

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Abstract

Species of genus Ocimum are traditionally used for their medicinal and flavoring properties. These are rich sources of essential oils and found as an ingredient in many Ayurvedic preparations and food products. Phenolics and triterpenic acids are the medicinally active compounds mainly concentrated in the leaves of Ocimum species. This study aimed to develop an efficient and reliable analytical method for the rapid screening and characterization of phenolics and triterpenic acids in the leaf extracts of 6 Ocimum species using high-performance liquid chromatography coupled with electrospray ionization quadrupole time-of-flight tandem mass spectrometry (HPLC–ESI–QTOF–MS/MS). A total of 50 compounds were identified and characterized on the basis of their accurate MS and MS/MS information, out of which 23 compounds were confirmed by authentic standards. Identified compounds include 28 flavonoids, 4 propenyl phenol derivatives, 2 triterpenic acids, 11 phenolic acids, and 5 phenolic acid esters. The developed method was applied to study the interspecies variation of identified compounds. Significant variation in the distribution of identified phenolics and triterpenic acids was observed among studied Ocimum species. Hence, the established method provides an effective and reliable tool for screening and characterization of phytoconstituents in Ocimum species.

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A significant number of studies have been devoted to describing Ocimum essential oils, but relatively few studies have been devoted to Ocimum leaves because there is a lack of a comprehensive and rapid fingerprinting approach.
“A significant number of studies have been devoted to describing Ocimum essential oils [21,29,30], but relatively few studies have been devoted to Ocimum leaves as there is a lack of a comprehensive and rapid fingerprinting approach [16,31,32].”
From Comprehensive Metabolomic Fingerprinting Combined with Chemometrics Identifies Species- and Variety-Specific Variation of Medicinal Herbs: An Ocimum Study (2023) · cites this paper as [31]

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“A significant number of studies have been devoted to describing Ocimum essential oils [21,29,30], but relatively few studies have been devoted to Ocimum leaves as there is a lack of a comprehensive and rapid fingerprinting approach [16,31,32].”
Background
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Studies on Positive and Negative ionization mode of ESI-LC-MS/ MS for screening of Phytochemicals on Cassia auriculata (Aavaram Poo)
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Dracocephalum jacutense Peschkova from Yakutia: Extraction and Mass Spectrometric Characterization of 128 Chemical Compounds
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Triple Quadrupole Mass Spectrometry with Liquid Chromatography and Dispersive Liquid-Liquid Microextraction for the Determination of Monoterpenes in Alcoholic Drinks
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Comparative Analysis of the Metabolomic Profile of Honeysuckle Lonicera caerulea L. from Four Eurasian Regions by Using HPLC-ESI-MS and ESI-MS/MS Analysis
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Ocimum Sanctum L
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The Determination of Secondary Metabolites of Kamchatka Honeysuckle Lonicera caerulea var. kamtschatika Sevast.
Razgonova, M. P., Petrusha, E. N., Rusakova, E. A., & Golokhvast, K. S. (2023) · Russian Journal of Plant Physiology · doi:10.31857/s0015330323600791
Определение полифенольного комплекса в Reynoutria japonica Houtt. методом тандемной масс-спектрометрии
Razgonova, M. P., Cherevach, E. I., Кириленко, Н. С., Демидова, E. Н., & Golokhvast, K. S. (2024) · Russian Journal of Plant Physiology · doi:10.31857/s0015330324040093
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Kumar, A., Ali, M., Kumar, A., Mishra, D. K., & Kanojiya, S. (2025) · Rapid Communications in Mass Spectrometry · doi:10.1002/rcm.10081
LC-Q-Orbitrap HRMS profiling and functional characterization of Ocimum basilicum L. var. basilicum extract as an ampicillin-modulating agent against Escherichia coli
Babayan, A. M., Kusznierewicz, B., Litewski, S., Mróz, M., Ginovyan, M. M., Bartoszek, A., & Sahakyan, N. Z. (2026) · Scientific Reports · doi:10.1038/s41598-026-73048-y
Optimization of Supercritical CO2 Extraction Conditions and Metabolite Composition of Chamaepericlymenum suecicum L. Berries from Two Locations in the Magadan Region
Razgonova, M. P., Nawaz, M. A., Sabitov, A. S., Senotrusova, T. A., Ли, Н. Г., & Golokhvast, K. S. (2026) · Molecules · doi:10.3390/molecules31203658

Conclusion
Kumar, B. N., Bajpai, V., Tiwari, S., & Pandey, R. (2020) · CRC Press eBooks · doi:10.1201/9781003014850-4
Rapid Screening of Phytochemicals in Ocimum Species
Kumar, B. N., Bajpai, V., Tiwari, S., & Pandey, R. (2020) · CRC Press eBooks · doi:10.1201/9781003014850-2
A rapid and highly sensitive method for simultaneous determination of bioactive constituents in leaf extracts of six Ocimum species using ultra high performance liquid chromatography-hybrid linear ion trap triple quadrupole mass spectrometry
Pandey, R., Chandra, P., Kumar, B. N., Dutt, B., & Sharma, K. R. (2015) · Analytical Methods · doi:10.1039/c5ay01055a · Cited by 11
Comparative Morpho-micrometric Investigations in Six Indigenous Ocimum Species of India with DOE Based HPTLC Method for Multi-class Component Analysis
Mirgal, A., Ghoshal, S., Ghule, C., Bhatt, K., Patel, K., Girme, A., & Hingorani, L. (2023) · Planta Medica · doi:10.1055/a-1876-3009 · Cited by 3
Quantitation of Bioactive Phytochemicals in Ocimum Species and Its Marketed Herbal Formulations Using UHPLC-MS
Kumar, B. N., Bajpai, V., Tiwari, S., & Pandey, R. (2020) · CRC Press eBooks · doi:10.1201/9781003014850-3

Authors: Pandey, R., & Kumar, B.
Affiliations: Central Drug Research Institute (IN)
Corresponding author: Kumar, Brijesh
ORCID: Pandey, Renu
Kumar, Brijesh
Venue: Journal of Liquid Chromatography & Related Technologies
Publisher: Informa UK Limited
Published: 2016-02-25
Volume: 39
Issue: 4
Pages: 225-238
ISSN: 1082-6076 (ISSN-L)
1520-572X
DOI: 10.1080/10826076.2016.1148048
OpenAlex: W2311758152
Cited by: 68
References: 58
Citations by year: 2026: 4 · 2025: 5 · 2024: 9 · 2023: 14 · 2022: 11 · 2021: 12 · 2020: 3 · 2019: 4 · 2018: 4 · 2017: 2
FWCI: 6.84
Type: journal article
Language: en
Open access: closed
Locations: Journal of Liquid Chromatography & Related Technologies (publishedVersion)
Funders: This study was funded by Council of Scientific and Industrial Research, New Delhi, India (grant number BSC-0106).
Topics: Health Sciences › Medicine › Complementary and alternative medicine › Phytochemicals and Medicinal Plants
Physical Sciences › Chemistry › Analytical Chemistry › Chromatography in Natural Products
Health Sciences › Medicine › Complementary and alternative medicine › Traditional Chinese Medicine Analysis
Keywords: Ocimum, phenolic compounds, triterpenic acids, leaf extract, flavonoids, phenolic acids, phenolic acid esters, interspecies variation, phytochemical constituents, medicinal plants

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HPLC–QTOF–MS/MS-based rapid screening of phenolics and triterpenic acids in leaf extracts of Ocimum species and their interspecies variation

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