Dataset associated with: "An in silico infrared spectral library of molecular ions for metabolite identification"

Name: Dataset associated with: "An in silico infrared spectral library of molecular ions for metabolite identification"
Creator: Berden, Giel; Houthuijs, Kas J.; Wevers, Ron A.; Oomens, Jos; Wishart, David S.; Engelke, Udo F.H.; Gautam, Vasuk; Martens, Jonathan
Published: 2023-03-08T00:00:00+08:00

Zenodo2023-03-08 更新2026-04-07 收录

代谢物鉴定

计算红外光谱

数据链接：

https://zenodo.org/record/7706021 数据链接链接失效反馈

官方服务：

资源简介：

Dataset associated with the publication: "An in silico infrared spectral library of molecular ions for metabolite identification" Both the experimental and computational data are also available on the website of the human metabolome database (https://hmdb.ca/).

提供机构：

Berden, Giel; Houthuijs, Kas J.; Wevers, Ron A.; Oomens, Jos; Wishart, David S.; Engelke, Udo F.H.; Gautam, Vasuk; Martens, Jonathan

创建时间：

2023-03-08