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. 2024 Feb 28;14:4841. doi: 10.1038/s41598-024-55356-3

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© This is a U.S. Government work and not under copyright protection in the US; foreign copyright protection may apply 2024

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Example 2. (a) Chromatographic representation of m/z 118.08616 ion; (b) MS¹ spectrum for detected ion m/z 118.08616; (c) Corresponding MS¹ spectrum for associated major m/z 118.08627 ion and minor m/z 118.05386 ion; (d) Corresponding MS² spectrum from preceding parent MS¹ m/z 118.0539 ion; (e) Mirror plot of match (score 88.9) between fragment ions of MS² spectrum from parent MS¹ m/z 118.0539 ion (top) and reference MS² spectrum for valine in mzCloud (bottom); (f) Chromatographic representation of two peaks for ion m/z 118.086; (g) Mirror plot of match (score 83.7) between fragment ions of MS² spectrum from parent MS¹ m/z 118.0500 ion (top) and reference MS² spectrum for 2-(methylamino)isobutyric acid in mzCloud (bottom); (h) Mirror plot of match (score 90.8) between fragment ions of MS² spectrum from parent MS¹ m/z 118.0500 ion (top) and reference MS² spectrum for norvaline in NIST_2020_MSMS (bottom).