化学信息学
注释
化学
马尔迪成像
代谢组学
质谱成像
质谱法
分子成像
人工智能
计算生物学
基质辅助激光解吸/电离
计算机科学
色谱法
计算化学
生物
吸附
生物技术
解吸
有机化学
体内
作者
Marceau Levasseur,Édith Nicol,Nicolas Elie,Emeline Houël,Véronique Éparvier,David Touboul
标识
DOI:10.1021/acs.analchem.3c03482
摘要
MALDI mass spectrometry imaging has gained major interest in the field of chemical imaging. This technique makes it possible to locate tens to hundreds of ionic signals on the sample surface without any a priori. One of the current challenges is still the limited ability to annotate signals in order to convert m/z values into probable chemical structures. At the same time, data obtained by LC-MS/MS have benefited from the development of numerous chemoinformatics tools, in particular molecular networks, for their efficient annotation. For the first time, we present here the combination of MALDI-FT-ICR imaging with molecular networks from MALDI-MS/MS data directly acquired on plant tissue sections. Annotation improvements are demonstrated, paving the way for new annotation pipelines for MALDI imaging.
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