Mass spectrometry is a key analytical platform for metabolomics. The precise quantification and identification of small molecules is a prerequisite for elucidating the metabolism and the detection, va

NIAID Data Ecosystem50

Six specific scenarios and their experimental validations.

代谢物鉴定

谱分析验证

We investigated six scenarios that included a total of nine unknown metabolites. The first three scenarios, DIPEPTIDE, STEROID, and HETE are discussed in the main text of this paper; the remaining thr

Figshare2015-12-02 更新40

Metabolite annotation from knowns to unknowns through knowledge-guided multi-layer metabolic networking相关实验报告

代谢组学分析

代谢物鉴定

1.知识驱动的代谢反应网络 2.补充材料中建立网络文件 3.实现未知代谢物鉴定的技术方法-借助外部工具及代谢反应网络累积高可信度鉴定结果 4.利用KGMN对NIST人尿液样本进行注释的结果及其验证 5.利用KGMN对46混标进行注释的结果及其验证 6.MetDNA1与KGMN（MetDNA2）代谢物注释结果的评估 7.通过在生物数据库挖掘发现NIST人尿液样本在其中多次出现的未知代谢物

中国科学院中国科学技术大学科学数据中心60

Hedlund_POS_Results_V2_Final.xlsx

代谢组学

代谢物鉴定

Metabolite identification for MassIVE dataset MSV000090480 in positive mode (https://massive.ucsd.edu/ProteoSAFe/dataset.jsp?task=895e11f85bac44f2828880c77ff4ef8f)

NIAID Data Ecosystem40

GNPS - sildenafil sildenafil sildenafil sildenafil sildenafil sildenafil sildenafil

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