RT Journal Article SR Electronic T1 METLIN Neutral Loss Database Enhances Similarity Analysis JF bioRxiv FD Cold Spring Harbor Laboratory SP 2021.04.02.438066 DO 10.1101/2021.04.02.438066 A1 Aries Aisporna A1 H. Paul Benton A1 Jean Marie Galano A1 Martin Giera A1 Gary Siuzdak YR 2021 UL http://biorxiv.org/content/early/2021/04/05/2021.04.02.438066.abstract AB Tandem mass spectrometry (MS2) data is an effective resource for the identification of known molecules and the putative identification of novel, previously uncharacterized molecules (unknowns). Yet, MS2 data alone is limited in characterizing structurally closely related molecules with different masses. Neutral loss data is key in retrieving this structural similarity. To facilitate unknown identification and complement METLIN’s MS2 fragment ion data for characterizing structurally related molecules, we have created the METLIN neutral loss database (https://metlin-nl.scripps.edu).Competing Interest StatementThe authors have declared no competing interest.