title: A new method for chemical identification based on orthogonal parallel liquid chromatography separation and accurate molecular weight confirmation.
abstract: Recent advances in the theory and application of orthogonal LC separation have allowed for the establishment of a more effective method for the chemical identification of target compounds in complex samples, especially structurally similar compounds. In this study, a new chemical identification method based on orthogonal parallel separation and accurate molecular weight confirmation was developed. An orthogonal separation system consisting of an XTerra MS C(18) column, a home-made Click OEG column, and a Click CD column was established for separation and identification. In addition, 82 flavonoids were selected as references, to be used for the construction of a library. Retention times of each reference flavonoid on each column and accurate molecular weights were recorded and imported into a searchable library as "tags" for the unknown screening. For the method validation, two complex mixtures, fractions of Dalbergia odorifera T. Chen and Scutellaria baicalensis Georgi, specifically, were separated and identified. In total, nine compounds were unequivocally identified by retention time and confirmation of accurate molecular weight, demonstrating that this method is suitable and efficient for the chemical identification of complex samples.
authors.affiliation: Key Lab of Separation Science for Analytical Chemistry, Key Lab of Natural Medicine, Liaoning Province, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, 457 Zhongshan Road, Dalian, China.
authors.forename: Jing
authors.initials: J
authors.lastname: Zeng
authors.forename: Xiuli
authors.initials: X
authors.lastname: Zhang
authors.forename: Zhimou
authors.initials: Z
authors.lastname: Guo
authors.forename: Jiatao
authors.initials: J
authors.lastname: Feng
authors.forename: Xingya
authors.initials: X
authors.lastname: Xue
authors.forename: Xinmiao
authors.initials: X
authors.lastname: Liang
mesh_terms: D000085:Acetates / Q000737:chemistry; D002853:Chromatography, Liquid / Q000379:methods*; D057930:Click Chemistry / Q000379:methods*; D035782:Dalbergia / Q000737:chemistry; D016208:Databases, Factual; D005419:Flavonoids / Q000737:chemistry / Q000302:isolation & purification; D013058:Mass Spectrometry / Q000379:methods*; D008970:Molecular Weight; D015203:Reproducibility of Results; D031364:Scutellaria baicalensis / Q000737:chemistry
chemical_list: D000085:Acetates; D005419:Flavonoids; C007650:ethyl acetate