Structural annotation of unknown molecules in a miniaturized mass spectrometer based on a transformer enabled fragment tree method

Y Yang, S Sun, S Yang, Q Yang, X Lu… - Communications …, 2024 - nature.com
Structural annotation of small molecules in tandem mass spectrometry has always been a
central challenge in mass spectrometry analysis, especially using a miniaturized mass …

Diverse thermal desorption combined with self-aspirating corona discharge ionization for direct mass spectrometry analysis of complex samples

Q Shi, X Yu, S Sun, W Wu, W Shi, Q Yu - Analytical Methods, 2024 - pubs.rsc.org
The thermal desorption (TD) technique is widely employed in modern mass spectrometry to
facilitate the detection of non-volatile analytes. In this study, we developed a compact TD …

Structural Annotation of Unknown Molecular for Miniaturized Mass Spectrometer based on Transformer Enabled Fragment Tree

X Qian, Y Yang, S Sun, S Yang, Q Yang, X Lu, X Wang… - 2023 - researchsquare.com
Structural annotation of small molecules in tandem mass spectrometry has always been a
central challenge in mass spectrometry analysis, especially using a miniaturized mass …