Development of a LC-HRMS based approach to boost structural annotation of isomeric citrus flavanones

doi:10.1002/pca.3020

KIB OpenIR

	Development of a LC-HRMS based approach to boost structural annotation of isomeric citrus flavanones
	He,Ying-Jie ; Zhou,Ying ; Qin,Yan ; Zhou,Zhong-Shun ; Zhu,Meng ; Zhu,Yan-Yan ; Wang,Zhao-Jie ; Xie,Tian-Zhen ; Zhao,Li-Xing ; Luo,Xiao-Dong
	2021
发表期刊	PHYTOCHEMICAL ANALYSIS
ISSN	0958-0344
卷号	32 期号:5 页码:749-756
摘要	Introduction The structural annotation of target relies on high-resolution mass spectrometry (HRMS) information resulting in dubious identities in most cases. The accurate annotation of isomeric structures is still challenging to be confirmed with significant bottleneck.Objective This study focused on the improvement of structural annotation of candidate structures via four pairs of isomeric flavanone-7-O-diglucosides and their basic flavanone aglycones commonly detected in citrus products.Method An integrated liquid chromatography coupled with high-resolution mass spectrometry (LC-HRMS) approach merging retention time, accurate mass, tandem mass spectrometry (MS/MS) information (diagnostic ions), ion ratio at selected collision energy was established successfully.Results Feasibility of this approach was validated confidently in biological samples with relative standard deviation (RSD) of ion ratio range from 3.91 to 12.28%. Differences of fragmentation patterns of citrus flavanones were illustrated reasonably. MS/MS fragments of (S)-hesperetin and (S)-isosakuranetin were complicated and showed typical radical ion [(1,2)A - H](center dot-) (m/z 164) in negative ESI mode due to the methoxyl group on B-ring, which showed huge difference with (R)-hesperetin and (R)-isosakuranetin.Conclusion This study integrated multiple levels to boost the confidence of structural annotation relied on LC-HRMS, and provided important values in practice for precise identification of citrus flavanones in biological matrices.
关键词	citrus flavanones collision energy fragmentation pattern high‐ resolution mass spectrometry ion ratio RESOLUTION MASS-SPECTROMETRY HESPERETIN ENANTIOMERS QUANTIFICATION NARINGENIN
DOI	10.1002/pca.3020
WOS记录号	WOS:000599150100001
引用统计	被引频次：2[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.kib.ac.cn/handle/151853/73423
专题	中国科学院昆明植物研究所
作者单位	1.[He, Ying-Jie 2.Zhou, Ying 3.Qin, Yan 4.Zhou, Zhong-Shun 5.Zhu, Meng 6.Zhu, Yan-Yan 7.Wang, Zhao-Jie 8.Xie, Tian-Zhen 9.Zhao, Li-Xing 10.Yunnan Univ, Minist Educ, Key Lab Med Chem Nat Resource, Kunming 650091, Yunnan, Peoples R China 11.Yunnan Univ, Yunnan Prov Ctr Res & Dev Nat Prod, Kunming 650091, Yunnan, Peoples R China 12.Yunnan Univ, Sch Chem Sci & Technol, Kunming 650091, Yunnan, Peoples R China 13.Chinese Acad Sci, Kunming Inst Bot, State Key Lab Phytochem & Plant Resources West Ch, Kunming, Yunnan, Peoples R China
推荐引用方式 GB/T 7714	He,Ying-Jie,Zhou,Ying,Qin,Yan,et al. Development of a LC-HRMS based approach to boost structural annotation of isomeric citrus flavanones[J]. PHYTOCHEMICAL ANALYSIS,2021,32(5):749-756.
APA	He,Ying-Jie.,Zhou,Ying.,Qin,Yan.,Zhou,Zhong-Shun.,Zhu,Meng.,...&Luo,Xiao-Dong.(2021).Development of a LC-HRMS based approach to boost structural annotation of isomeric citrus flavanones.PHYTOCHEMICAL ANALYSIS,32(5),749-756.
MLA	He,Ying-Jie,et al."Development of a LC-HRMS based approach to boost structural annotation of isomeric citrus flavanones".PHYTOCHEMICAL ANALYSIS 32.5(2021):749-756.