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

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See Also

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	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
	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
	Baker, Erin S., Hoang, Corey, Uritboonthai, Winnie, Heyman, Heino M., Pratt, Brian, MacCoss, Michael, MacLean, Brendan, Plumb, Robert, Aisporna, Aries, Siuzdak, Gary (2023) METLIN-CCS: an ion mobility spectrometry collision cross section database. Nature Methods, 20 (12) 1836-1837 doi:10.1038/s41592-023-02078-5
	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
	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
	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
	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
	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
	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
	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