GNPS REFRAME DRUG CCS LIBRARY
收藏Zenodo2025-10-30 更新2026-05-26 收录
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https://zenodo.org/doi/10.5281/zenodo.17488413
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This library contains MS/MS spectra collected from mixtures of drug compounds from the Reframe drug library (https://reframedb.org/). The compound name includes the mean collision cross section (CCS) values from triplicate acquisition, and COV <2%. Data was collected on a timsTOF Pro 2 in positive ESI mode at 20eV and 40eV CE. Feature extraction and annotations were processed in Metaboscape 2025b. These annotations have been filtered for an MSMS score >200. The spectral library was created by Victoria Deleray videleray@ucsd.edu in the Dorrestein Lab at the University of California, San Diego.
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Zenodo创建时间：
2025-10-30
