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  3. 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

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

  • Anal Bioanal Chem. 2016 May;408(13):3659-72. doi: 10.1007/s00216-016-9450-y.
Shui-Han Zhang 1,  Xin Hu 2,  Shu-Yun Shi 3,  Lu-Qi Huang 4,  Wei Chen 1,  Lin Chen 1,  Ping Cai 1
Affiliations

Affiliations

  • 1 Research Institute of Chinese Medicine, Hunan Academy of Chinese Medicine, Changsha, Hunan, 410013, China.
  • 2 College of Chemistry and Chemical Engineering, Central South University, Changsha, Hunan, 410083, China.
  • 3 College of Chemistry and Chemical Engineering, Central South University, Changsha, Hunan, 410083, China. [email protected].
  • 4 National Resource Center for Chinese Materia Medica, China Academy of Chinese Medical Sciences, Beijing, 100700, China. [email protected].
PMID: 26970751 DOI: 10.1007/s00216-016-9450-y
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.

Keywords

Chlorogenic acid; Diagnostic mass fragmentation analysis; HPLC–DAD–QTOF-MS/MS; Isomer; Lonicera macranthoides; UV spectra screening.

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