The characterization and quantification of structures of Cajanus scarabaeoides phytochemicals and their seasonal variation analysis using ultra‐performance liquid chromatography–tandem mass spectrometry

Abstract

Rationale Cajanus scarabaeoides, belonging to the Fabaceae family, is an underutilized herb and traditionally used to treat several ailments. However, it is not well explored phytochemically. Therefore, mass spectrometry (MS)–based phytochemical analysis was carried out to investigate the bioactive ingredients of the herb. Methods A ultra‐performance liquid chromatography (UPLC) coupled to photodiode array detection (PDA) and electrospray ionization (ESI) tandem mass spectrometry (UPLC‐PDA‐ESI–MS/MS) system was used for the qualitative and quantitative analysis of phytochemicals. The chromatographic separation was achieved on the Acquity BEH C18 column (150 × 2.1 mm, 1.7 μm) using a gradient system consisting of three solvents, acetonitrile, methanol, and 0.1% formic acid, used at a flow rate of 0.300 ml/min. Results Sixteen bioactive ingredients (gallic acid, gallocatechin, epigallocatechin, catechin, procyanidin dimer, epicatechin, procyanidin trimer, isoorientin, orientin, vitexin, isovitexin, quercetin‐mono‐O‐glycoside, isoquercitrin, luteolin‐7‐O‐glucoside, quercetin, and luteolin) were identified and structurally characterized. Consequently, 12 compounds were reported for the first time from C. scarabaeoides, and 13 were quantitatively determined in different seasons. Isoorientin (10.2–7.1% w/w) and orientin (5.78–5.17% w/w) were the most abundant constituents in the dry weight of plant material, followed by vitexin and isovitexin in the rainy season. Conclusions The phytochemical investigation has revealed that C. scarabaeoides could be a potential alternate source of bioactive ingredients, namely, isoorientin, orientin, vitexin, and isovitexin, contributing to further exploration of its biological activity. In addition, analytical methods can be used for the rapid identification and quantification of bioactive ingredients in C. scarabaeoides.

Biological activities, identification, method development, and validation for analysis of polyphenolic compounds in Nymphaea rubra flowers and leaves by UHPLC‐Q‐cIM‐TOF‐MS and UHPLC‐TQ‐MS

“…Additionally, compounds 27 , 32 , 37–39 , 46 , 52 , 53 , and 61 were unequivocally identified for the first time in both NRF and NRL as flavonoid glycosides, specifically eriodictyol‐7‐ O ‐glucoside, myricitrin (Figure S6), quercetin xyloside, IR (Figure S4), isorhamnetin‐3‐rutinoside, apigenin‐6‐ C ‐galatoside‐8‐ C ‐arabinoside (Figure S7), isovitexin, vicenin‐2, and 6,8‐di‐ C ‐glucopyranosyl naringenin. These identifications were corroborated by matching published fragmentation patterns 15,23,36,38 . Compound 44 ( m/z 457.0770) produces fragment ions at m/z 305.06 [(M–H–galloyl moiety: 152 Da)] at m/z 169.01 (GA), which lose CO 2 to make ions at m/z 125.02 and were confirmed as EGCG, a significant component in tea leaf, which was identified for the first time in both NRF and NRL samples 39 …”

“…These identifications were corroborated by matching published fragmentation patterns. 15,23,36,38 Compound 44 (m/z 457.0770) produces fragment ions at m/z 305.06 [(M-Hgalloyl moiety: 152 Da)] at m/z 169.01 (GA), which lose CO 2 to make ions at m/z 125.02 and were confirmed as EGCG, a significant component in tea leaf, which was identified for the first time in both NRF and NRL samples. 39…”

Hesperidin: Enrichment, forced degradation, and structural elucidation of potential degradation products using spectral techniques

“…High‐purity N 2 was used as the nebulizing gas at a flow rate of 50 L/h and drying gas at a flow rate of 650 L/h. Argon was used as the collision gas 37–39 …”

“…The following ESI source parameters were used: capillary voltage, 3.5 eV; cone potential, 30 V; source temperature, 120 C; and desolvation temperature, 350 C. High-purity N 2 was used as the nebulizing gas at a flow rate of 50 L/h and drying gas at a flow rate of 650 L/h. Argon was used as the collision gas 37. Structural elucidation using NMRThe NMR experiments were carried out on a 300 MHz Bruker NMR spectrometer equipped with a QNP probe (Billerica, MA, USA).…”