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view_headline ADAP-KDB Spectral Knowledgebase Beta

Welcome to ADAP-KDB Spectral Knowledgebase!

ADAP-KDB Spectral Knowledgebase
Analytical Chemistry

The number of metabolomics studies in public data repositories such as the NIH’s Metabolomics Data Repository (a.k.a. Metabolomics Workbench) and MetaboLights acquiring untargeted data from the liquid chromatography (LC-) and gas chromatography coupled to mass spectrometry (GC-MS) analytical platforms has been steadily growing. Accompanying this growth is the enormous number of known and unknown compounds contained in that data, providing an invaluable opportunity to harness the power of big data and allow for cross-species, cross-diseases, and cross-sample source analysis.

Toward this end, we have developed ADAP-KDB, a mass spectral knowledgebase that contains consensus GC-MS and LC-MS/MS spectra constructed from untargeted, publicly available metabolomics data. At this point, all the consensus spectra are constructed from data in the Metabolomics Workbench and spectra constructed similarly from other publicly available data repositories will be gradually added.

ADAP-KDB enables efficient sharing and aggregation of information about both known and unknown compounds across studies and laboratories and makes those compounds easily findable.

ADAP-KDB: A Spectral Knowledgebase for Tracking and Prioritizing Unknown GC–MS Spectra in the NIH’s Metabolomics Data Repository, Aleksandr Smirnov, Yunfei Liao, Eoin Fahy, Shankar Subramaniam, and Xiuxia Du, Analytical Chemistry 2021 93 (36), 12213-12220
Try It!
Contact Information

ADAP Spectral Knowledgebase is currently being actively developed by the Du-Lab team ( https://www.du-lab.org/).

If you encounter any issues or would like to provide a feedback on your experience using ADAP Spectral Knowledgebase click here, or please contact us through the email dulab.binf@gmail.com.