Literature DB >> 27824832

SPLASH, a hashed identifier for mass spectra.

Gert Wohlgemuth1, Sajjan S Mehta1, Ramon F Mejia2, Steffen Neumann3, Diego Pedrosa1, Tomáš Pluskal4, Emma L Schymanski5, Egon L Willighagen6, Michael Wilson7, David S Wishart7, Masanori Arita2,8, Pieter C Dorrestein9,10, Nuno Bandeira9,11,12, Mingxun Wang11,12, Tobias Schulze13, Reza M Salek14, Christoph Steinbeck14, Venkata Chandrasekhar Nainala14, Robert Mistrik15, Takaaki Nishioka16, Oliver Fiehn1,17.   

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Year:  2016        PMID: 27824832      PMCID: PMC5515539          DOI: 10.1038/nbt.3689

Source DB:  PubMed          Journal:  Nat Biotechnol        ISSN: 1087-0156            Impact factor:   54.908


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  12 in total

1.  Optimization and testing of mass spectral library search algorithms for compound identification.

Authors:  S E Stein; D R Scott
Journal:  J Am Soc Mass Spectrom       Date:  1994-09       Impact factor: 3.109

2.  RIKEN tandem mass spectral database (ReSpect) for phytochemicals: a plant-specific MS/MS-based data resource and database.

Authors:  Yuji Sawada; Ryo Nakabayashi; Yutaka Yamada; Makoto Suzuki; Muneo Sato; Akane Sakata; Kenji Akiyama; Tetsuya Sakurai; Fumio Matsuda; Toshio Aoki; Masami Yokota Hirai; Kazuki Saito
Journal:  Phytochemistry       Date:  2012-08-04       Impact factor: 4.072

3.  Automatic recalibration and processing of tandem mass spectra using formula annotation.

Authors:  Michael A Stravs; Emma L Schymanski; Heinz P Singer; Juliane Hollender
Journal:  J Mass Spectrom       Date:  2013-01       Impact factor: 1.982

4.  FiehnLib: mass spectral and retention index libraries for metabolomics based on quadrupole and time-of-flight gas chromatography/mass spectrometry.

Authors:  Tobias Kind; Gert Wohlgemuth; Do Yup Lee; Yun Lu; Mine Palazoglu; Sevini Shahbaz; Oliver Fiehn
Journal:  Anal Chem       Date:  2009-12-15       Impact factor: 6.986

5.  Sharing and community curation of mass spectrometry data with Global Natural Products Social Molecular Networking.

Authors:  Mingxun Wang; Jeremy J Carver; Vanessa V Phelan; Laura M Sanchez; Neha Garg; Yao Peng; Don Duy Nguyen; Jeramie Watrous; Clifford A Kapono; Tal Luzzatto-Knaan; Carla Porto; Amina Bouslimani; Alexey V Melnik; Michael J Meehan; Wei-Ting Liu; Max Crüsemann; Paul D Boudreau; Eduardo Esquenazi; Mario Sandoval-Calderón; Roland D Kersten; Laura A Pace; Robert A Quinn; Katherine R Duncan; Cheng-Chih Hsu; Dimitrios J Floros; Ronnie G Gavilan; Karin Kleigrewe; Trent Northen; Rachel J Dutton; Delphine Parrot; Erin E Carlson; Bertrand Aigle; Charlotte F Michelsen; Lars Jelsbak; Christian Sohlenkamp; Pavel Pevzner; Anna Edlund; Jeffrey McLean; Jörn Piel; Brian T Murphy; Lena Gerwick; Chih-Chuang Liaw; Yu-Liang Yang; Hans-Ulrich Humpf; Maria Maansson; Robert A Keyzers; Amy C Sims; Andrew R Johnson; Ashley M Sidebottom; Brian E Sedio; Andreas Klitgaard; Charles B Larson; Cristopher A Boya P; Daniel Torres-Mendoza; David J Gonzalez; Denise B Silva; Lucas M Marques; Daniel P Demarque; Egle Pociute; Ellis C O'Neill; Enora Briand; Eric J N Helfrich; Eve A Granatosky; Evgenia Glukhov; Florian Ryffel; Hailey Houson; Hosein Mohimani; Jenan J Kharbush; Yi Zeng; Julia A Vorholt; Kenji L Kurita; Pep Charusanti; Kerry L McPhail; Kristian Fog Nielsen; Lisa Vuong; Maryam Elfeki; Matthew F Traxler; Niclas Engene; Nobuhiro Koyama; Oliver B Vining; Ralph Baric; Ricardo R Silva; Samantha J Mascuch; Sophie Tomasi; Stefan Jenkins; Venkat Macherla; Thomas Hoffman; Vinayak Agarwal; Philip G Williams; Jingqui Dai; Ram Neupane; Joshua Gurr; Andrés M C Rodríguez; Anne Lamsa; Chen Zhang; Kathleen Dorrestein; Brendan M Duggan; Jehad Almaliti; Pierre-Marie Allard; Prasad Phapale; Louis-Felix Nothias; Theodore Alexandrov; Marc Litaudon; Jean-Luc Wolfender; Jennifer E Kyle; Thomas O Metz; Tyler Peryea; Dac-Trung Nguyen; Danielle VanLeer; Paul Shinn; Ajit Jadhav; Rolf Müller; Katrina M Waters; Wenyuan Shi; Xueting Liu; Lixin Zhang; Rob Knight; Paul R Jensen; Bernhard O Palsson; Kit Pogliano; Roger G Linington; Marcelino Gutiérrez; Norberto P Lopes; William H Gerwick; Bradley S Moore; Pieter C Dorrestein; Nuno Bandeira
Journal:  Nat Biotechnol       Date:  2016-08-09       Impact factor: 54.908

6.  HMDB 3.0--The Human Metabolome Database in 2013.

Authors:  David S Wishart; Timothy Jewison; An Chi Guo; Michael Wilson; Craig Knox; Yifeng Liu; Yannick Djoumbou; Rupasri Mandal; Farid Aziat; Edison Dong; Souhaila Bouatra; Igor Sinelnikov; David Arndt; Jianguo Xia; Philip Liu; Faizath Yallou; Trent Bjorndahl; Rolando Perez-Pineiro; Roman Eisner; Felicity Allen; Vanessa Neveu; Russ Greiner; Augustin Scalbert
Journal:  Nucleic Acids Res       Date:  2012-11-17       Impact factor: 16.971

7.  The volatile compound BinBase mass spectral database.

Authors:  Kirsten Skogerson; Gert Wohlgemuth; Dinesh K Barupal; Oliver Fiehn
Journal:  BMC Bioinformatics       Date:  2011-08-04       Impact factor: 3.169

8.  Bioclipse: an open source workbench for chemo- and bioinformatics.

Authors:  Ola Spjuth; Tobias Helmus; Egon L Willighagen; Stefan Kuhn; Martin Eklund; Johannes Wagener; Peter Murray-Rust; Christoph Steinbeck; Jarl E S Wikberg
Journal:  BMC Bioinformatics       Date:  2007-02-22       Impact factor: 3.169

9.  MS-DIAL: data-independent MS/MS deconvolution for comprehensive metabolome analysis.

Authors:  Hiroshi Tsugawa; Tomas Cajka; Tobias Kind; Yan Ma; Brendan Higgins; Kazutaka Ikeda; Mitsuhiro Kanazawa; Jean VanderGheynst; Oliver Fiehn; Masanori Arita
Journal:  Nat Methods       Date:  2015-05-04       Impact factor: 28.547

10.  InChI in the wild: an assessment of InChIKey searching in Google.

Authors:  Christopher Southan
Journal:  J Cheminform       Date:  2013-02-11       Impact factor: 5.514

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  24 in total

1.  Metabolomics activity screening for identifying metabolites that modulate phenotype.

Authors:  Carlos Guijas; J Rafael Montenegro-Burke; Benedikt Warth; Mary E Spilker; Gary Siuzdak
Journal:  Nat Biotechnol       Date:  2018-04-05       Impact factor: 54.908

Review 2.  The role of the Human Metabolome Database in inborn errors of metabolism.

Authors:  Rupasri Mandal; Danuta Chamot; David S Wishart
Journal:  J Inherit Metab Dis       Date:  2018-04-16       Impact factor: 4.982

3.  Untargeted metabolomics identifies trimethyllysine, a TMAO-producing nutrient precursor, as a predictor of incident cardiovascular disease risk.

Authors:  Xinmin S Li; Zeneng Wang; Tomas Cajka; Jennifer A Buffa; Ina Nemet; Alex G Hurd; Xiaodong Gu; Sarah M Skye; Adam B Roberts; Yuping Wu; Lin Li; Christopher J Shahen; Matthew A Wagner; Jaana A Hartiala; Robert L Kerby; Kymberleigh A Romano; Yi Han; Slayman Obeid; Thomas F Lüscher; Hooman Allayee; Federico E Rey; Joseph A DiDonato; Oliver Fiehn; W H Wilson Tang; Stanley L Hazen
Journal:  JCI Insight       Date:  2018-03-22

4.  compMS2Miner: An Automatable Metabolite Identification, Visualization, and Data-Sharing R Package for High-Resolution LC-MS Data Sets.

Authors:  William M B Edmands; Lauren Petrick; Dinesh K Barupal; Augustin Scalbert; Mark J Wilson; Jeffrey K Wickliffe; Stephen M Rappaport
Journal:  Anal Chem       Date:  2017-03-27       Impact factor: 6.986

Review 5.  Metabolomics: a systems biology approach for enhancing heat stress tolerance in plants.

Authors:  Ali Raza
Journal:  Plant Cell Rep       Date:  2020-11-29       Impact factor: 4.570

6.  Memory-Efficient Searching of Gas-Chromatography Mass Spectra Accelerated by Prescreening.

Authors:  Aleksandr Smirnov; Yunfei Liao; Xiuxia Du
Journal:  Metabolites       Date:  2022-05-29

Review 7.  Identification of small molecules using accurate mass MS/MS search.

Authors:  Tobias Kind; Hiroshi Tsugawa; Tomas Cajka; Yan Ma; Zijuan Lai; Sajjan S Mehta; Gert Wohlgemuth; Dinesh Kumar Barupal; Megan R Showalter; Masanori Arita; Oliver Fiehn
Journal:  Mass Spectrom Rev       Date:  2017-04-24       Impact factor: 10.946

Review 8.  Expanding the Use of Spectral Libraries in Proteomics.

Authors:  Eric W Deutsch; Yasset Perez-Riverol; Robert J Chalkley; Mathias Wilhelm; Stephen Tate; Timo Sachsenberg; Mathias Walzer; Lukas Käll; Bernard Delanghe; Sebastian Böcker; Emma L Schymanski; Paul Wilmes; Viktoria Dorfer; Bernhard Kuster; Pieter-Jan Volders; Nico Jehmlich; Johannes P C Vissers; Dennis W Wolan; Ana Y Wang; Luis Mendoza; Jim Shofstahl; Andrew W Dowsey; Johannes Griss; Reza M Salek; Steffen Neumann; Pierre-Alain Binz; Henry Lam; Juan Antonio Vizcaíno; Nuno Bandeira; Hannes Röst
Journal:  J Proteome Res       Date:  2018-10-11       Impact factor: 4.466

9.  DrugBank 5.0: a major update to the DrugBank database for 2018.

Authors:  David S Wishart; Yannick D Feunang; An C Guo; Elvis J Lo; Ana Marcu; Jason R Grant; Tanvir Sajed; Daniel Johnson; Carin Li; Zinat Sayeeda; Nazanin Assempour; Ithayavani Iynkkaran; Yifeng Liu; Adam Maciejewski; Nicola Gale; Alex Wilson; Lucy Chin; Ryan Cummings; Diana Le; Allison Pon; Craig Knox; Michael Wilson
Journal:  Nucleic Acids Res       Date:  2018-01-04       Impact factor: 16.971

10.  MolDiscovery: learning mass spectrometry fragmentation of small molecules.

Authors:  Liu Cao; Mustafa Guler; Azat Tagirdzhanov; Yi-Yuan Lee; Alexey Gurevich; Hosein Mohimani
Journal:  Nat Commun       Date:  2021-06-17       Impact factor: 14.919

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