November 20, 2024
Author(s)
Yuxue Liang, Pedatsur Neta, Xiaoyu (Sara) Yang, Hugo Garraffo, Tallat Bukhari, Yi Liu, Stephen Stein
The NIST 2023 tandem mass spectral library contains 1,832,086 spectra of positive ions and 541,978 of negative ions from 51,501 compounds. Peak annotation plays an important role in spectrum evaluation. While most fragment ions are formed by neutral losses