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Feature-based molecular networking in the GNPS analysis environment
- Nothias, Louis-Felix;
- Petras, Daniel;
- Schmid, Robin;
- Duehrkop, Kai;
- Rainer, Johannes;
- ... Kang, Kyo Bin;
- 외 56명
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1173초록
Feature-based molecular networking allows the generation of molecular networks for mass spectrometry data that can recognize isomers, incorporate relative quantification and integrate ion mobility data. Molecular networking has become a key method to visualize and annotate the chemical space in non-targeted mass spectrometry data. We present feature-based molecular networking (FBMN) as an analysis method in the Global Natural Products Social Molecular Networking (GNPS) infrastructure that builds on chromatographic feature detection and alignment tools. FBMN enables quantitative analysis and resolution of isomers, including from ion mobility spectrometry.
키워드
PEPTIDIC NATURAL-PRODUCTS; MASS-SPECTROMETRY DATA; DATABASE SEARCH; LC-MS; DISCOVERY; PLATFORM
- 제목
- Feature-based molecular networking in the GNPS analysis environment
- 저자
- Nothias, Louis-Felix; Petras, Daniel; Schmid, Robin; Duehrkop, Kai; Rainer, Johannes; Sarvepalli, Abinesh; Protsyuk, Ivan; Ernst, Madeleine; Tsugawa, Hiroshi; Fleischauer, Markus; Aicheler, Fabian; Aksenov, Alexander A.; Alka, Oliver; Allard, Pierre-Marie; Barsch, Aiko; Cachet, Xavier; Caraballo-Rodriguez, Andres Mauricio; Da Silva, Ricardo R.; Dang, Tam; Garg, Neha; Gauglitz, Julia M.; Gurevich, Alexey; Isaac, Giorgis; Jarmusch, Alan K.; Kamenik, Zdenek; Kang, Kyo Bin; Kessler, Nikolas; Koester, Irina; Korf, Ansgar; Le Gouellec, Audrey; Ludwig, Marcus; Martin H., Christian; McCall, Laura-Isobel; McSayles, Jonathan; Meyer, Sven W.; Mohimani, Hosein; Morsy, Mustafa; Moyne, Oriane; Neumann, Steffen; Neuweger, Heiko; Nguyen, Ngoc Hung; Nothias-Esposito, Melissa; Paolini, Julien; Phelan, Vanessa V.; Pluskal, Tomas; Quinn, Robert A.; Rogers, Simon; Shrestha, Bindesh; Tripathi, Anupriya; van der Hooft, Justin J. J.; Vargas, Fernando; Weldon, Kelly C.; Witting, Michael; Yang, Heejung; Zhang, Zheng; Zubeil, Florian; Kohlbacher, Oliver; Boecker, Sebastian; Alexandrov, Theodore; Bandeira, Nuno; Wang, Mingxun; Dorrestein, Pieter C.
- 발행일
- 2020-09
- 유형
- Article; Early Access
- 저널명
- Nature Methods
- 권
- 17
- 호
- 9
- 페이지
- 905 ~ 908