13321_2018_299_MOESM4_ESM.xls (501 kB)

MOESM4 of “MS-Ready” structures for non-targeted high-resolution mass spectrometry screening studies

dataset

posted on 2018-08-30, 05:00 authored by Andrew McEachran, Kamel Mansouri, Chris Grulke, Emma Schymanski, Christoph Ruttkies, Antony Williams

Additional file 4. Download file column header descriptions and example output files for MS-Ready and MetFrag Input File batch searches (Tables S1–S3).

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EU FP7 SOLUTIONS

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Keywords

High-resolution mass spectrometry (HRMS)Structure identification Structure curation Database searching

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CC BY + CC0

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