期刊
ANALYTICAL AND BIOANALYTICAL CHEMISTRY
卷 404, 期 4, 页码 1159-1164出版社
SPRINGER HEIDELBERG
DOI: 10.1007/s00216-012-6136-y
关键词
Accurate mass measurement; Mass accuracy and precision; Statistics for mass measurement; Fragmentation map/tree; High resolution; Database searching
资金
- Engineering and Physical Sciences Research Council (EPSRC) [EP/F014341/1]
- Engineering and Physical Sciences Research Council [EP/F014341/1] Funding Source: researchfish
- EPSRC [EP/F014341/1] Funding Source: UKRI
Accurate mass instrumentation is becoming increasingly available to non-expert users. This data can be mis-used, particularly for analyte identification. Current best practice in assigning potential elemental formula for reliable analyte identification has been described with modern informatic approaches to analyte elucidation, including chemometric characterisation, data processing and searching using facilities such as the Chemical Abstracts Service (CAS) Registry and Chemspider.
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