Aisporna, Aries; Webb, Bill; Uritboonthai, Winnie; Hoang, Linh; Billings, Elizabeth M.; Hoang, Corey; Plumb, Robert; Siuzdak, Gary (2025) Adaptive Modeling of Tandem Mass Spectrometry Data: Creation of the METLIN 960K MRM Database. Analytical Chemistry, 97 (44). doi:10.1021/acs.analchem.5c04639

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See Also

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	Uritboonthai, Winnie; Aisporna, Aries E.; Hoang, Linh; Hoang, Corey; Billings, Elizabeth M.; Siuzdak, Gary (2026) METLIN 960 K: An Empirical Tandem Mass Spectrometry Data Resource. Analytical Chemistry, 98 (17). doi:10.1021/acs.analchem.5c08031
	Hoang, Corey, Uritboonthai, Winnie, Hoang, Linh, Billings, Elizabeth M., Aisporna, Aries, Nia, Farshad A., Derks, Rico J. E., Williamson, James R., Giera, Martin, Siuzdak, Gary (2024) Tandem Mass Spectrometry across Platforms. Analytical Chemistry, 96 (14) 5478-5488 doi:10.1021/acs.analchem.3c05576
	Uritboonthai, Winnie; Aisporna, Aries; Hoang, Linh; Webb, Bill; Billings, Elizabeth M.; Hoang, Corey; Tobea, Mirna; Cates-Gatto, Chelsea C.; Roberts, Amanda J.; Teav, Tony; et al. (2026) Untargeted Multiple Reaction Monitoring. Analytical Chemistry, 98 (12). doi:10.1021/acs.analchem.5c06838
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	Xue, Jingchuan, Derks, Rico J. E., Webb, Bill, Billings, Elizabeth M., Aisporna, Aries, Giera, Martin, Siuzdak, Gary (2021) Single Quadrupole Multiple Fragment Ion Monitoring Quantitative Mass Spectrometry. Analytical Chemistry, 93 (31) 10879-10889 doi:10.1021/acs.analchem.1c01246
	Domingo-Almenara, Xavier, Guijas, Carlos, Billings, Elizabeth, Montenegro-Burke, J. Rafael, Uritboonthai, Winnie, Aisporna, Aries E., Chen, Emily, Benton, H. Paul, Siuzdak, Gary (2019) The METLIN small molecule dataset for machine learning-based retention time prediction. Nature Communications, 10. doi:10.1038/s41467-019-13680-7
	Fang, Mingliang, Ivanisevic, Julijana, Benton, H. Paul, Johnson, Caroline H., Patti, Gary J., Hoang, Linh T., Uritboonthai, Winnie, Kurczy, Michael E., Siuzdak, Gary (2015) Thermal Degradation of Small Molecules: A Global Metabolomic Investigation. Analytical Chemistry, 87 (21). 10935-10941 doi:10.1021/acs.analchem.5b03003
	Warth, Benedikt, Spangler, Scott, Fang, Mingliang, Johnson, Caroline H., Forsberg, Erica M., Granados, Ana, Martin, Richard L., Domingo-Almenara, Xavier, Huan, Tao, Rinehart, Duane, Montenegro-Burke, J. Rafael, Hilmers, Brian, Aisporna, Aries, Hoang, Linh T., Uritboonthai, Winnie, Benton, H. Paul, Richardson, Susan D., Williams, Antony J., Siuzdak, Gary (2017) Exposome-Scale Investigations Guided by Global Metabolomics, Pathway Analysis, and Cognitive Computing. Analytical Chemistry, 89 (21). 11505-11513 doi:10.1021/acs.analchem.7b02759
	Guijas, Carlos, Montenegro-Burke, J. Rafael, Domingo-Almenara, Xavier, Palermo, Amelia, Warth, Benedikt, Hermann, Gerrit, Koellensperger, Gunda, Huan, Tao, Uritboonthai, Winnie, Aisporna, Aries E., Wolan, Dennis W., Spilker, Mary E., Benton, H. Paul, Siuzdak, Gary (2018) METLIN: A Technology Platform for Identifying Knowns and Unknowns. Analytical Chemistry, 90 (5). 3156-3164 doi:10.1021/acs.analchem.7b04424
	Domingo-Almenara, Xavier, Montenegro-Burke, J. Rafael, Ivanisevic, Julijana, Thomas, Aurelien, Sidibé, Jonathan, Teav, Tony, Guijas, Carlos, Aisporna, Aries E., Rinehart, Duane, Hoang, Linh, Nordström, Anders, Gómez-Romero, María, Whiley, Luke, Lewis, Matthew R., Nicholson, Jeremy K., Benton, H. Paul, Siuzdak, Gary (2018) XCMS-MRM and METLIN-MRM: a cloud library and public resource for targeted analysis of small molecules. Nature Methods, 15 (9). 681-684 doi:10.1038/s41592-018-0110-3
	Aisporna, Aries, Benton, H. Paul, Chen, Andy, Derks, Rico J. E., Galano, Jean Marie, Giera, Martin, Siuzdak, Gary (2022) Neutral Loss Mass Spectral Data Enhances Molecular Similarity Analysis in METLIN. Journal of the American Society for Mass Spectrometry, 33 (3) 530-534 doi:10.1021/jasms.1c00343