元数据
标识符
管道(软件)
计算机科学
链接数据
情报检索
万维网
数据库
资源(消歧)
数据科学
欧洲联盟
唯一标识符
分析
容器(类型理论)
向导
XML
对象(语法)
数据质量
原始数据
数据挖掘
开放式体系结构
接口(物质)
散列函数
产品(数学)
打开数据
兆字节
相关性(法律)
光谱聚类
可视化
语义网
质量(理念)
生物
数据集成
数据整理
缩放
用户界面
互操作性
聚类分析
最终用户
数字数据
作者
Steffen Neumann,René Meier,Michael Wenk,Anjana Elapavalore,Takaaki Nishioka,Tobias Schulze,Michael Stravs,Hiroshi Tsugawa,Fumio Matsuda,Emma L. Schymanski
摘要
Abstract The open spectral library MassBank (https://massbank.jp/) started in 2006 in Japan, as one of the first open source and open access cross-vendor mass spectral libraries. The first dedicated European MassBank server (https://massbank.eu/) was launched in 2011, adding spectra from compounds of environmental relevance to complement the original metabolomics focus. Recent developments boosted the FAIRness of MassBank data, and a redesigned web interface with modern architecture was launched in 2025. All records are under version control, and versioned releases are pushed to an independent data repository with digital object identifier assigned to each data release. Semantic metadata integrates the spectral data into the world of linked open data. The record format enables many downstream studies, and records are validated by an automated pipeline to ensure data quality upon submission and review existing records. The SPectraL hASH was added for spectral content-based access. MassBank is cross-integrated in several resources such as MassBank of North America, Global Natural Product Social Molecular Networking, PubChem, the US EPA CompTox Dashboard, NORMAN Database System, RforMassSpectrometry, and more. MassBank now boasts a total of 119 845 spectra of 18 529 compounds from 53 contributors from around the world.
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