Methods and devices for constructing bait library, constructing target-bait library and conducting metabolome FDR identifying
A target and bait technology, applied in the field of metabolomics, can solve problems such as low performance, poor operability, and no quality control means
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[0158] The GNPS database is a public metabolite mass spectrogram database, which includes mass spectrograms of various natural metabolite standards and experimental samples collected on different instrument platforms. In order to form a standard library, the standard library can evaluate the performance of target-decoy library to evaluate FDR. This example uses Passatutto's standard database for metabolite identification.
[0159] 1. Evaluation data acquisition.
[0160] Download Passatutto (https: / / bio.informatik.uni-jena.de / Passatutto / ), convert the data format of the standard spectral library and experimental spectral library in the main directory to MGF format, and obtain the Passatutto_query.mgf format file (such as Figure 5 shown) and Target_GNPS.mgf format file (such as Figure 6 shown).
[0161] 2. Determine the main identification parameters of XY-Meta.
[0162] The instrument and experimental parameters involved in metabolome identification using XY-Meta mainly ...
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