An integrated analytical approach based on enhanced fragment ions interrogation and modified Kendrick mass defect filter data mining for in-depth chemical profiling of glucosinolates by ultra-high-pressure liquid chromatography coupled with Orbitrap high resolution mass spectrometry

化学 分析物 质谱法 色谱法 轨道轨道 碎片(计算) 串联质谱法 分析化学(期刊) 计算机科学 操作系统
作者
Jianliang Geng,Lihao Xiao,Chen Chen,Zhenzhong Wang,Wei Xiao,Qiuhong Wang
出处
期刊:Journal of Chromatography A [Elsevier BV]
卷期号:1639: 461903-461903 被引量:25
标识
DOI:10.1016/j.chroma.2021.461903
摘要

High resolution mass spectrometry (HRMS)-based analytical technique promotes the discovery and development of new bioactive molecules from natural sources. However, challenges for MS analysis of natural products include their structural diversity, numerous trace components, as well as the interference from complex matrices that limits the rapid detection and identification of all target analytes in the extracts. Herein, we presented an integrated analytical approach to obtain chemical profile of glucosinolates (GLSs) in Eutrema yunnanense, a perennial herb, which is used as a condiment (Wasabi), by ultra-high-pressure liquid chromatography coupled with Orbitrap high resolution mass spectrometry (UHPLC-Orbitrap/HRMS). The intelligent AcquireX deep scan greatly improved the detection efficiency and coverage of data-dependent acquisition (DDA) mode, and enhanced structurally significant product ions interrogation by generating exhaustive MS/MS spectra with more informative fragmentation. Massive HRMS data mining for searching GLSs was then achieved by a modified Kendrick mass defect filter (MKMDF), which enabled the visualization of their homologous characteristics and reduced the complicacy of data post-processing. Ultimately, a total of 175 GLSs were tentatively identified or characterized based on the MS fragmentation patterns, including 52 potentially new compounds among which 37 malonylated GLSs were first discovered. These compounds were then applied to analyse the chemical differentiation between the rhizome and leaf of E. yunnanense. This study provides a feasible approach for screening and confident structure characterization of GLSs and has practical implications for profiling other natural bioactive homologous compounds.
最长约 10秒,即可获得该文献文件

科研通智能强力驱动
Strongly Powered by AbleSci AI
更新
PDF的下载单位、IP信息已删除 (2025-6-4)

科研通是完全免费的文献互助平台,具备全网最快的应助速度,最高的求助完成率。 对每一个文献求助,科研通都将尽心尽力,给求助人一个满意的交代。
实时播报
刚刚
魏少爷发布了新的文献求助10
1秒前
1秒前
2秒前
安戈完成签到,获得积分10
2秒前
动听的笑南完成签到,获得积分10
2秒前
3秒前
3秒前
周运来发布了新的文献求助30
3秒前
面壁思过应助hhcai采纳,获得10
4秒前
自觉的向日葵完成签到,获得积分10
4秒前
木木发布了新的文献求助10
5秒前
6秒前
orixero应助木子采纳,获得10
8秒前
8秒前
热情凝云发布了新的文献求助10
9秒前
澡雪发布了新的文献求助10
9秒前
9秒前
10秒前
我爱看文献是假的完成签到,获得积分10
11秒前
11秒前
诚心的不斜完成签到,获得积分20
12秒前
lizzie关注了科研通微信公众号
12秒前
积极香菇完成签到,获得积分10
12秒前
13秒前
mmmm完成签到,获得积分20
13秒前
Cope发布了新的文献求助10
14秒前
啊啊发布了新的文献求助10
14秒前
桐桐应助华健采纳,获得10
15秒前
16秒前
英姑应助缓慢平蓝采纳,获得10
16秒前
16秒前
16秒前
汉堡包应助111采纳,获得10
17秒前
感动的念文关注了科研通微信公众号
18秒前
田様应助实验顺顺利利采纳,获得10
19秒前
替我活着发布了新的文献求助10
19秒前
20秒前
Orange应助晓巨人采纳,获得10
20秒前
159as8发布了新的文献求助10
21秒前
高分求助中
A new approach to the extrapolation of accelerated life test data 1000
Picture Books with Same-sex Parented Families: Unintentional Censorship 700
ACSM’s Guidelines for Exercise Testing and Prescription, 12th edition 500
Nucleophilic substitution in azasydnone-modified dinitroanisoles 500
不知道标题是什么 500
Indomethacinのヒトにおける経皮吸収 400
Phylogenetic study of the order Polydesmida (Myriapoda: Diplopoda) 370
热门求助领域 (近24小时)
化学 材料科学 医学 生物 工程类 有机化学 生物化学 物理 内科学 纳米技术 计算机科学 化学工程 复合材料 遗传学 基因 物理化学 催化作用 冶金 细胞生物学 免疫学
热门帖子
关注 科研通微信公众号,转发送积分 3975755
求助须知:如何正确求助?哪些是违规求助? 3520108
关于积分的说明 11200829
捐赠科研通 3256492
什么是DOI,文献DOI怎么找? 1798298
邀请新用户注册赠送积分活动 877509
科研通“疑难数据库(出版商)”最低求助积分说明 806403