Data mining of natural hazard biomarkers and metabolites with integrated metabolomic tools
文献类型：期刊论文
| 作者 | Mao, Xin; Xia, Lining; Yang, Li; You, Yanli; Luo, Pengjie; Li, Yanshen; Wu, Yongning; Jiang, Guibin
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| 刊名 | JOURNAL OF HAZARDOUS MATERIALS
 |
| 出版日期 | 2022-04-05 |
| 卷号 | 427期号:0页码:127912 |
| 关键词 | MASS-SPECTROMETRY MYCOTOXINS ALTERNARIOL MONOMETHYL ETHER PRODUCTS MZMINE |
| ISSN号 | 0304-3894 |
| 英文摘要 | Data mining was one of the most important challenges in natural product analysis and biomarker discovery. In this work, we proposed an integrated data analysis protocol for natural products annotation and identification in data-dependent acquisition. Firstly, natural products and structure-related compounds could be identified by comparing mass spectrum behavior with commercial standard. Secondly, diagnostic fragmentation filtering (DFF) function in MZmine (http://mzmine.github.io/) was investigated for screening specific conjugation compounds with the same neutral loss. Thirdly, we present feature-based molecular networking (FBMN) in GNPS (https://gnps.ucsd.edu/) as a chromatographic feature detection and alignment tool. In addition, FBMN could enable natural products analysis based on molecular networks. This proposed integrated protocol should facilitate metabolomic data mining and biomarker discovery. |
| 源URL | [https://ir.rcees.ac.cn/handle/311016/47499]  |
| 专题 | 生态环境研究中心_环境化学与生态毒理学国家重点实验室 |
| 通讯作者 | Li, Yanshen |
| 作者单位 | 1.Yantai Univ, Yantai 264005, Shandong, Peoples R China 2.Chinese Acad Med Sci, China Natl Ctr Food Safety Risk Assessment, Res Unit 2019RU014, NHC Key Lab Food Safety Risk Assessment, Beijing 100017, Peoples R China 3.Chinese Acad Sci, Res Ctr Ecoenvironm Sci, State Key Lab Environm Chem & Ecotoxicol, Beijing 100085, Peoples R China 4.Xinjiang Agr Univ, Urumqi 830052, Xinjiang, Peoples R China |
| 推荐引用方式 GB/T 7714 | Mao, Xin,Xia, Lining,Yang, Li,et al. Data mining of natural hazard biomarkers and metabolites with integrated metabolomic tools[J]. JOURNAL OF HAZARDOUS MATERIALS,2022,427(0):127912. |
| APA | Mao, Xin.,Xia, Lining.,Yang, Li.,You, Yanli.,Luo, Pengjie.,...&Jiang, Guibin.(2022).Data mining of natural hazard biomarkers and metabolites with integrated metabolomic tools.JOURNAL OF HAZARDOUS MATERIALS,427(0),127912. |
| MLA | Mao, Xin,et al."Data mining of natural hazard biomarkers and metabolites with integrated metabolomic tools".JOURNAL OF HAZARDOUS MATERIALS 427.0(2022):127912. |
入库方式： OAI收割
来源：生态环境研究中心
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