title: Typical ultraviolet spectra in combination with diagnostic mass fragmentation analysis for the rapid and comprehensive profiling of chlorogenic acids in the buds of Lonicera macranthoides.
abstract: A major challenge of profiling chlorogenic acids (CGA) in natural products is to effectively detect unknown or minor isomeric compounds. Here, we developed an effective strategy, typical ultraviolet (UV) spectra in combination with diagnostic mass fragmentation analysis based on HPLC-DAD-QTOF-MS/MS, to comprehensively profile CGA in the buds of Lonicera macranthoides. First, three CGA UV patterns were obtained by UV spectra screening. Second, 13 types of CGA classified by molecular weights were found by thorough analysis of CGA peaks using high-resolution MS. Third, selected ion monitoring (SIM) was carried out for each type of CGA to avoid overlooking of minor ones. Fourth, MS/MS spectra of each CGA were investigated. Then 70 CGA were identified by matching their UV spectra, accurate mass signals and fragmentation patterns with standards or previously reported compounds, including six caffeoylquinic acids (CQA), six diCQA, one triCQA, three caffeoylshikimic acids (CSA), six diCSA, one triCSA, three p-coumaroylquinic acids (pCoQA), four p-coumaroylcaffeoylquinic acids (pCoCQA), four feruloylquinic acids (FQA), five methyl caffeoylquinates (MCQ), three ethyl caffeoylquinates (ECQ), three dimethoxycinnamoylquinic acids (DQA), six caffeoylferuloylquinic acids (CFQA), six methyl dicaffeoylquinates (MdiCQ), four FQA glycosides (FQAG), six MCQ glycosides (MCQG), and three ethyl dicaffeoylquinates (EdiCQ). Forty-five of them were discovered from Lonicera species for the first time, and it is noted that CGA profiles were investigated for the first time in L. macranthoides. Results indicated that the developed method was a useful approach to explore unknown and minor isomeric compounds from complex natural products.
authors.affiliation: Research Institute of Chinese Medicine, Hunan Academy of Chinese Medicine, Changsha, Hunan, 410013, China.
authors.forename: Shui-Han
authors.initials: SH
authors.lastname: Zhang
authors.affiliation: College of Chemistry and Chemical Engineering, Central South University, Changsha, Hunan, 410083, China.
authors.forename: Xin
authors.initials: X
authors.lastname: Hu
authors.affiliation: College of Chemistry and Chemical Engineering, Central South University, Changsha, Hunan, 410083, China. shishuyun@126.com.
authors.forename: Shu-Yun
authors.initials: SY
authors.lastname: Shi
authors.affiliation: National Resource Center for Chinese Materia Medica, China Academy of Chinese Medical Sciences, Beijing, 100700, China. huangluqi@263.net.
authors.forename: Lu-Qi
authors.initials: LQ
authors.lastname: Huang
authors.affiliation: Research Institute of Chinese Medicine, Hunan Academy of Chinese Medicine, Changsha, Hunan, 410013, China.
authors.forename: Wei
authors.initials: W
authors.lastname: Chen
authors.affiliation: Research Institute of Chinese Medicine, Hunan Academy of Chinese Medicine, Changsha, Hunan, 410013, China.
authors.forename: Lin
authors.initials: L
authors.lastname: Chen
authors.affiliation: Research Institute of Chinese Medicine, Hunan Academy of Chinese Medicine, Changsha, Hunan, 410013, China.
authors.forename: Ping
authors.initials: P
authors.lastname: Cai
mesh_terms: D002726:Chlorogenic Acid / Q000032:analysis*; D002851:Chromatography, High Pressure Liquid / Q000379:methods*; D031239:Lonicera / Q000737:chemistry*; D012015:Reference Standards; D013056:Spectrophotometry, Ultraviolet / Q000379:methods*; D053719:Tandem Mass Spectrometry / Q000379:methods*
chemical_list: D002726:Chlorogenic Acid
keywords: Chlorogenic acid; Diagnostic mass fragmentation analysis; HPLC–DAD–QTOF-MS/MS; Isomer; Lonicera macranthoides; UV spectra screening