Feature-based molecular networking in the GNPS analysis environment LF Nothias, D Petras, R Schmid, K Dührkop, J Rainer, A Sarvepalli, ... Nature methods 17 (9), 905-908, 2020 | 824 | 2020 |
Reproducible molecular networking of untargeted mass spectrometry data using GNPS AT Aron, EC Gentry, KL McPhail, LF Nothias, M Nothias-Esposito, ... Nature protocols 15 (6), 1954-1991, 2020 | 419 | 2020 |
Integrative analysis of multimodal mass spectrometry data in MZmine 3 R Schmid, S Heuckeroth, A Korf, A Smirnov, O Myers, TS Dyrlund, ... Nature biotechnology 41 (4), 447-449, 2023 | 190 | 2023 |
Ion identity molecular networking for mass spectrometry-based metabolomics in the GNPS environment R Schmid, D Petras, LF Nothias, M Wang, AT Aron, A Jagels, H Tsugawa, ... Nature communications 12 (1), 3832, 2021 | 163 | 2021 |
Auto-deconvolution and molecular networking of gas chromatography–mass spectrometry data AA Aksenov, I Laponogov, Z Zhang, SLF Doran, I Belluomo, D Veselkov, ... Nature biotechnology 39 (2), 169-173, 2021 | 100 | 2021 |
GNPS Dashboard: collaborative exploration of mass spectrometry data in the web browser D Petras, VV Phelan, D Acharya, AE Allen, AT Aron, N Bandeira, ... Nature methods 19 (2), 134-136, 2022 | 41 | 2022 |
Native mass spectrometry-based metabolomics identifies metal-binding compounds AT Aron, D Petras, R Schmid, JM Gauglitz, I Büttel, L Antelo, H Zhi, ... Nature chemistry 14 (1), 100-109, 2022 | 37 | 2022 |
Lipid species annotation at double bond position level with custom databases by extension of the MZmine 2 open-source software package A Korf, V Jeck, R Schmid, PO Helmer, H Hayen Analytical chemistry 91 (8), 5098-5105, 2019 | 32 | 2019 |
Open access repository-scale propagated nearest neighbor suspect spectral library for untargeted metabolomics W Bittremieux, NE Avalon, SP Thomas, SA Kakhkhorov, AA Aksenov, ... Nature communications 14 (1), 8488, 2023 | 31 | 2023 |
Three‐dimensional Kendrick mass plots as a tool for graphical lipid identification A Korf, C Vosse, R Schmid, PO Helmer, V Jeck, H Hayen Rapid Communications in Mass Spectrometry 32 (12), 981-991, 2018 | 31 | 2018 |
Comparison of cosine, modified cosine, and neutral loss based spectrum alignment for discovery of structurally related molecules W Bittremieux, R Schmid, F Huber, JJJ van der Hooft, M Wang, ... Journal of the American Society for Mass Spectrometry 33 (9), 1733-1744, 2022 | 28 | 2022 |
Microfluidic high performance liquid chromatography-chip hyphenation to inductively coupled plasma–mass spectrometry DP Bishop, L Blanes, AB Wilson, T Wilbanks, K Killeen, R Grimm, ... Journal of Chromatography A 1497, 64-69, 2017 | 28 | 2017 |
microbeMASST: a taxonomically informed mass spectrometry search tool for microbial metabolomics data S Zuffa, R Schmid, A Bauermeister, PW P. Gomes, ... Nature Microbiology, 1-10, 2024 | 22 | 2024 |
Metabolomics data analysis using MZmine T Pluskal, A Korf, A Smirnov, R Schmid, TR Fallon, X Du, JK Weng | 22 | 2020 |
A universal language for finding mass spectrometry data patterns AK Jarmusch, AT Aron, D Petras, VV Phelan, W Bittremieux, DD Acharya, ... bioRxiv, 2022.08. 06.503000, 2022 | 20 | 2022 |
Identification of potential human urinary biomarkers for tomato juice intake by mass spectrometry-based metabolomics Y Hövelmann, A Jagels, R Schmid, F Hübner, HU Humpf European journal of nutrition 59, 685-697, 2020 | 20 | 2020 |
Feature-based molecular networking for identification of organic micropollutants including metabolites by non-target analysis applied to riverbank filtration D Oberleitner, R Schmid, W Schulz, A Bergmann, C Achten Analytical and bioanalytical chemistry 413, 5291-5300, 2021 | 19 | 2021 |
A Fungal N‐Dimethylallyltryptophan Metabolite from Fusarium fujikuroi B Arndt, S Janevska, R Schmid, F Hübner, B Tudzynski, HU Humpf ChemBioChem 18 (10), 899-904, 2017 | 17 | 2017 |
Digging deeper-A new data mining workflow for improved processing and interpretation of high resolution GC-Q-TOF MS data in archaeological research A Korf, S Hammann, R Schmid, M Froning, H Hayen, LJE Cramp Scientific Reports 10 (1), 767, 2020 | 14 | 2020 |
foodMASST a mass spectrometry search tool for foods and beverages KA West, R Schmid, JM Gauglitz, M Wang, PC Dorrestein npj Science of Food 6 (1), 22, 2022 | 12 | 2022 |