Manman Qin, Leting Wang, Kaixin Xu, Zhehao Liang, Chao Zhong, Yanfei Xie, Dan Shan, Jun Yu, Jiang Wang and Hao Fan
{"title":"中性解吸萃取电喷雾质谱法快速鉴定高粘度米汤品质。","authors":"Manman Qin, Leting Wang, Kaixin Xu, Zhehao Liang, Chao Zhong, Yanfei Xie, Dan Shan, Jun Yu, Jiang Wang and Hao Fan","doi":"10.1039/D5AY00420A","DOIUrl":null,"url":null,"abstract":"<p >High-viscosity rice soup is not only a popular food item but also a traditional Chinese medicinal remedy. Herein, we developed a high-throughput characterization platform for high-viscosity rice soup analysis using Neutral Desorption Extractive Electrospray Ionization Mass Spectrometry (ND-EESI-MS) with untargeted metabolomics. The chemical fingerprint of high-viscosity rice soup was directly analyzed by ND-EESI-MS, with exogenous (<em>e.g.</em>, heavy metals and pesticides) and endogenous pollutants detected <em>via</em> qualitative and quantitative tandem mass spectrometry. Multivariate statistical analysis was then applied to distinguish the quality of the high-viscosity rice soup effectively. The concentrations of heavy metals and pesticide residues in high-viscosity rice soup were quantified, demonstrating a strong linear relationship (<em>R</em><small><sup>2</sup></small> > 0.99) across the 0.05–2000.00 ng mL<small><sup>−1</sup></small> concentration range. The limits of detection (LOD) ranged from 0.27 ng mL<small><sup>−1</sup></small> to 2.18 ng mL<small><sup>−1</sup></small>, while the limits of quantification (LOQ) ranged from 0.82 ng mL<small><sup>−1</sup></small> to 6.61 ng mL<small><sup>−1</sup></small>. Furthermore, three specific compounds—3-methyl-2-butenoic acid, salicylic acid, and rhamnose—were quantified. These compounds demonstrated excellent linearity (<em>R</em><small><sup>2</sup></small> > 0.99) within the linear range of 1.10–1500.00 ng mL<small><sup>−1</sup></small>. The LOD ranged from 0.56 to 1.30 ng mL<small><sup>−1</sup></small>, and the LOQ ranged from 1.71 to 3.95 ng mL<small><sup>−1</sup></small>. Owing to its capability for simultaneous detection of exogenous and endogenous contaminants in complex viscous matrices, this ND-EESI-MS platform demonstrated significant potential to enhance quality control in food safety surveillance and pharmaceutical manufacturing.</p>","PeriodicalId":64,"journal":{"name":"Analytical Methods","volume":" 34","pages":" 6742-6753"},"PeriodicalIF":2.6000,"publicationDate":"2025-08-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Rapid identification of high-viscosity rice soup quality using neutral desorption extractive electrospray ionization mass spectrometry†\",\"authors\":\"Manman Qin, Leting Wang, Kaixin Xu, Zhehao Liang, Chao Zhong, Yanfei Xie, Dan Shan, Jun Yu, Jiang Wang and Hao Fan\",\"doi\":\"10.1039/D5AY00420A\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p >High-viscosity rice soup is not only a popular food item but also a traditional Chinese medicinal remedy. Herein, we developed a high-throughput characterization platform for high-viscosity rice soup analysis using Neutral Desorption Extractive Electrospray Ionization Mass Spectrometry (ND-EESI-MS) with untargeted metabolomics. The chemical fingerprint of high-viscosity rice soup was directly analyzed by ND-EESI-MS, with exogenous (<em>e.g.</em>, heavy metals and pesticides) and endogenous pollutants detected <em>via</em> qualitative and quantitative tandem mass spectrometry. Multivariate statistical analysis was then applied to distinguish the quality of the high-viscosity rice soup effectively. The concentrations of heavy metals and pesticide residues in high-viscosity rice soup were quantified, demonstrating a strong linear relationship (<em>R</em><small><sup>2</sup></small> > 0.99) across the 0.05–2000.00 ng mL<small><sup>−1</sup></small> concentration range. The limits of detection (LOD) ranged from 0.27 ng mL<small><sup>−1</sup></small> to 2.18 ng mL<small><sup>−1</sup></small>, while the limits of quantification (LOQ) ranged from 0.82 ng mL<small><sup>−1</sup></small> to 6.61 ng mL<small><sup>−1</sup></small>. Furthermore, three specific compounds—3-methyl-2-butenoic acid, salicylic acid, and rhamnose—were quantified. These compounds demonstrated excellent linearity (<em>R</em><small><sup>2</sup></small> > 0.99) within the linear range of 1.10–1500.00 ng mL<small><sup>−1</sup></small>. The LOD ranged from 0.56 to 1.30 ng mL<small><sup>−1</sup></small>, and the LOQ ranged from 1.71 to 3.95 ng mL<small><sup>−1</sup></small>. Owing to its capability for simultaneous detection of exogenous and endogenous contaminants in complex viscous matrices, this ND-EESI-MS platform demonstrated significant potential to enhance quality control in food safety surveillance and pharmaceutical manufacturing.</p>\",\"PeriodicalId\":64,\"journal\":{\"name\":\"Analytical Methods\",\"volume\":\" 34\",\"pages\":\" 6742-6753\"},\"PeriodicalIF\":2.6000,\"publicationDate\":\"2025-08-04\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Analytical Methods\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://pubs.rsc.org/en/content/articlelanding/2025/ay/d5ay00420a\",\"RegionNum\":3,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, ANALYTICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Analytical Methods","FirstCategoryId":"92","ListUrlMain":"https://pubs.rsc.org/en/content/articlelanding/2025/ay/d5ay00420a","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, ANALYTICAL","Score":null,"Total":0}
引用次数: 0
摘要
高粘度米汤不仅是一种受欢迎的食品,也是一种传统的中药。在此,我们开发了一个高通量表征平台,用于高粘度米汤分析,使用中性解吸萃取电喷雾质谱(ND-EESI-MS)和非靶向代谢组学。采用ND-EESI-MS直接分析高粘度米汤的化学指纹图谱,通过定性和定量串联质谱法检测外源(如重金属和农药)和内源污染物。运用多元统计分析方法对高粘度米汤进行了有效的质量鉴别。结果表明,在0.05 ~ 2000.00 ng mL-1浓度范围内,高黏度米汤中重金属与农药残留量呈显著的线性关系(R2 > 0.99)。检出限为0.27 ~ 2.18 ng mL-1,定量限为0.82 ~ 6.61 ng mL-1。此外,还对3-甲基-2-丁烯酸、水杨酸和鼠李糖三个特定化合物进行了定量分析。这些化合物在1.10 ~ 150000ng mL-1的线性范围内具有良好的线性关系(R2 > 0.99)。LOD范围为0.56 ~ 1.30 ng mL-1, LOQ范围为1.71 ~ 3.95 ng mL-1。由于能够同时检测复杂粘性基质中的外源性和内源性污染物,该ND-EESI-MS平台在加强食品安全监督和药品生产中的质量控制方面显示出巨大的潜力。
Rapid identification of high-viscosity rice soup quality using neutral desorption extractive electrospray ionization mass spectrometry†
High-viscosity rice soup is not only a popular food item but also a traditional Chinese medicinal remedy. Herein, we developed a high-throughput characterization platform for high-viscosity rice soup analysis using Neutral Desorption Extractive Electrospray Ionization Mass Spectrometry (ND-EESI-MS) with untargeted metabolomics. The chemical fingerprint of high-viscosity rice soup was directly analyzed by ND-EESI-MS, with exogenous (e.g., heavy metals and pesticides) and endogenous pollutants detected via qualitative and quantitative tandem mass spectrometry. Multivariate statistical analysis was then applied to distinguish the quality of the high-viscosity rice soup effectively. The concentrations of heavy metals and pesticide residues in high-viscosity rice soup were quantified, demonstrating a strong linear relationship (R2 > 0.99) across the 0.05–2000.00 ng mL−1 concentration range. The limits of detection (LOD) ranged from 0.27 ng mL−1 to 2.18 ng mL−1, while the limits of quantification (LOQ) ranged from 0.82 ng mL−1 to 6.61 ng mL−1. Furthermore, three specific compounds—3-methyl-2-butenoic acid, salicylic acid, and rhamnose—were quantified. These compounds demonstrated excellent linearity (R2 > 0.99) within the linear range of 1.10–1500.00 ng mL−1. The LOD ranged from 0.56 to 1.30 ng mL−1, and the LOQ ranged from 1.71 to 3.95 ng mL−1. Owing to its capability for simultaneous detection of exogenous and endogenous contaminants in complex viscous matrices, this ND-EESI-MS platform demonstrated significant potential to enhance quality control in food safety surveillance and pharmaceutical manufacturing.