High-frequency microfluidic fractionation for compound-resolved bioactivity-based metabolomics
Geibel C, Schubert J, Knoblauch S, Hernandez A, Boldt L, Schneider D, Lambidis S, Vitale GA, Fleischer J, Haussmann M, Gross H, Wang M, Brötz-Oesterhelt H#, Petras D#

Analytical Chemistry, 2025

Enhancing tandem mass spectrometry-based metabolite annotation with online chemical labeling

Vitale GA*, Xia SN*, Dührkop D, Zare Shahneh MR, Broetz-Oesterhelt H, Mast Y, Brungs C, Böcker S, Schmid R, Wang M, Hughes CC#, Petras D#

Nature Communications, 2025

Turf algae redefine the chemical landscape of temperate reefs, limiting kelp forest recovery

Farrell SP#, Petras D, Stincone P, Yiu DS, Burns JA, Shah AKP, Hartmann AC, Brady DC, Rasher DB

Science, 2025

Two-Dimensional Liquid Chromatography Tandem Mass Spectrometry Untangles the Deep Metabolome of Marine Dissolved Organic Matter

Papadopoulos Lambidis S, Schramm T, Steuer-Lodd K, Farrell S, Stincone P, Schmid R, Koester I, Torres RR, Dittmar T, Aluwihare LI, Simon C, Petras D#

Environmental Science & Technology, 2024

Statistical Analysis of Feature-based Molecular Networks from Non-Targeted Metabolomics Data

Pakkir Shah AK, Walter A, Ottosson F, Russo F, Navarro-Díaz M, Boldt J, Kalinski JC, Kontou EE, Elofson J, Polyzois A, González-Marín C, Farrell S, Aggerbeck MR, Pruksatrakul T, Chan N, Wang Y, Pöchhacker M, Brungs C, Cámara B, Caraballo-Rodríguez AM, Cumsille A, de Oliveira F, Dührkop K, El Abiead Y, Geibel C, Graves LG, Hansen M, Heuckeroth S, Knoblauch S, Kostenko A, Kuijpers MCM, Mildau K, Papadopoulos Lambidis S, Portal Gomes P, Schramm T, Steuer-Lodd K, Stincone P, Tayyab S, Vitale GA, Wagner BC, Xing S, Yazzie MT, Zuffa S, de Kruijff M, Beemelmanns C, Link H, Mayer C, van der Hooft J, Damiani T, Pluskal T, Dorrestein P, Stanstrup J, Schmid R, Wang M, Aron A, Ernst M#, Petras D#

Nature Protocols, 2024

​Native Metabolomics Identifies the Rivulariapeptolide Family of Protease Inhibitors

Reher R, T Aron AT, Fajtová P, Stincone P, Wagner B, Perez-Lorente A, Liu C, Ben Shalom IY, Bittremieux W, Wang M, Matos-Hernandez ML, Alexander KL, Caro-Diaz EJ, Naman CB, William Scanlan JH, Hochban PMM, Diederich WE, Molina-Santiago C, Romero D, Selim K, Sass P, Brötz-Oesterhelt H, Hughes CC, Dorrestein PC, O'Donoghue AJ, Gerwick WH#, Petras D#

Nature Communications, 2022

GNPS Dashboard: collaborative exploration of mass spectrometry data in the web browser

Petras D, Phelan VV, Acharya DD, Allen AE, Aron AT, Bandeira N, Belle-Oudry D, Boecker S, Bowen BP, Cummings DA, Deutsch JM, Fahy E, Garg N, Gregor R, Handelsman J, Navarro-Hoyos M, Jarmusch AK, Jarmusch SA, Louie KB, Maloney KN, Marty MT, Meijler MM, Mizrahi I, Molina-Santiago C, Neve RL, Northen TR, Panitchpakdi M, Pullman B, Puri AW, Schmid R, Subramaniam S, Thukral M, Vasquez-Castro F, Dorrestein PC, Wang M#

Nature Methods, 2021

Chemical Proportionality within Molecular Networks

Petras D#,*, Caraballo-Rodríguez AM*, Jarmusch AK, Molina-Santiago C, Gauglitz GM, Gentry EC, Belda-Ferre P, Romero D, Tsunoda SM, Dorrestein PC, Wang M#

Analytical Chemistry, 2021