title: MASTR-MS: a web-based collaborative laboratory information management system (LIMS) for metabolomics.
abstract: BACKGROUND
  An increasing number of research laboratories and core analytical facilities around the world are developing high throughput metabolomic analytical and data processing pipelines that are capable of handling hundreds to thousands of individual samples per year, often over multiple projects, collaborations and sample types. At present, there are no Laboratory Information Management Systems (LIMS) that are specifically tailored for metabolomics laboratories that are capable of tracking samples and associated metadata from the beginning to the end of an experiment, including data processing and archiving, and which are also suitable for use in large institutional core facilities or multi-laboratory consortia as well as single laboratory environments.
  
  
  RESULTS
  Here we present MASTR-MS, a downloadable and installable LIMS solution that can be deployed either within a single laboratory or used to link workflows across a multisite network. It comprises a Node Management System that can be used to link and manage projects across one or multiple collaborating laboratories; a User Management System which defines different user groups and privileges of users; a Quote Management System where client quotes are managed; a Project Management System in which metadata is stored and all aspects of project management, including experimental setup, sample tracking and instrument analysis, are defined, and a Data Management System that allows the automatic capture and storage of raw and processed data from the analytical instruments to the LIMS.
  
  
  CONCLUSIONS
  MASTR-MS is a comprehensive LIMS solution specifically designed for metabolomics. It captures the entire lifecycle of a sample starting from project and experiment design to sample analysis, data capture and storage. It acts as an electronic notebook, facilitating project management within a single laboratory or a multi-node collaborative environment. This software is being developed in close consultation with members of the metabolomics research community. It is freely available under the GNU GPL v3 licence and can be accessed from, https://muccg.github.io/mastr-ms/.
authors.affiliation: Australian Bioinformatics Facility, Centre for Comparative Genomics, Murdoch University, Murdoch, WA 6150 Australia.
authors.forename: Adam
authors.initials: A
authors.lastname: Hunter
authors.affiliation: Metabolomics Australia, The University of Melbourne, Melbourne, VIC 3010 Australia.|Bio21 Molecular Science and Biotechnology Institute, The University of Melbourne, Melbourne, VIC 3010 Australia.
authors.forename: Saravanan
authors.initials: S
authors.lastname: Dayalan
authors.affiliation: Metabolomics Australia, The University of Melbourne, Melbourne, VIC 3010 Australia.|Bio21 Molecular Science and Biotechnology Institute, The University of Melbourne, Melbourne, VIC 3010 Australia.
authors.forename: David
authors.initials: D
authors.lastname: De Souza
authors.affiliation: Australian Bioinformatics Facility, Centre for Comparative Genomics, Murdoch University, Murdoch, WA 6150 Australia.
authors.forename: Brad
authors.initials: B
authors.lastname: Power
authors.affiliation: Australian Bioinformatics Facility, Centre for Comparative Genomics, Murdoch University, Murdoch, WA 6150 Australia.
authors.forename: Rodney
authors.initials: R
authors.lastname: Lorrimar
authors.affiliation: Australian Bioinformatics Facility, Centre for Comparative Genomics, Murdoch University, Murdoch, WA 6150 Australia.
authors.forename: Tamas
authors.initials: T
authors.lastname: Szabo
authors.affiliation: Bio21 Molecular Science and Biotechnology Institute, The University of Melbourne, Melbourne, VIC 3010 Australia.
authors.forename: Thu
authors.initials: T
authors.lastname: Nguyen
authors.affiliation: Metabolomics Australia, The University of Melbourne, Melbourne, VIC 3010 Australia.|Bio21 Molecular Science and Biotechnology Institute, The University of Melbourne, Melbourne, VIC 3010 Australia.
authors.forename: Sean
authors.initials: S
authors.lastname: O'Callaghan
authors.affiliation: Metabolomics Australia, The Australian Wine Research Institute, Adelaide, SA 5064 Australia.
authors.forename: Jeremy
authors.initials: J
authors.lastname: Hack
authors.affiliation: Metabolomics Australia, The University of Melbourne, Melbourne, VIC 3010 Australia.|Bio21 Molecular Science and Biotechnology Institute, The University of Melbourne, Melbourne, VIC 3010 Australia.
authors.forename: James
authors.initials: J
authors.lastname: Pyke
authors.affiliation: Australian Bioinformatics Facility, Centre for Comparative Genomics, Murdoch University, Murdoch, WA 6150 Australia.|Bio21 Molecular Science and Biotechnology Institute, The University of Melbourne, Melbourne, VIC 3010 Australia.
authors.forename: Amsha
authors.initials: A
authors.lastname: Nahid
authors.affiliation: Australian Bioinformatics Facility, Centre for Comparative Genomics, Murdoch University, Murdoch, WA 6150 Australia.
authors.forename: Roberto
authors.initials: R
authors.lastname: Barrero
authors.affiliation: Metabolomics Australia, The University of Melbourne, Melbourne, VIC 3010 Australia.|School of Biosciences, The University of Melbourne, Melbourne, VIC 3010 Australia.
authors.forename: Ute
authors.initials: U
authors.lastname: Roessner
authors.affiliation: Metabolomics Australia, The University of Melbourne, Melbourne, VIC 3010 Australia.
authors.forename: Vladimir
authors.initials: V
authors.lastname: Likic
authors.affiliation: Metabolomics Australia, The University of Melbourne, Melbourne, VIC 3010 Australia.|Bio21 Molecular Science and Biotechnology Institute, The University of Melbourne, Melbourne, VIC 3010 Australia.
authors.forename: Dedreia
authors.initials: D
authors.lastname: Tull
authors.affiliation: Metabolomics Australia, The University of Melbourne, Melbourne, VIC 3010 Australia.|Bio21 Molecular Science and Biotechnology Institute, The University of Melbourne, Melbourne, VIC 3010 Australia.|ARC Centre of Excellence in Plant Cell Walls, School of Biosciences, The University of Melbourne, Melbourne, VIC 3010 Australia.
authors.forename: Antony
authors.initials: A
authors.lastname: Bacic
authors.affiliation: Metabolomics Australia, The University of Melbourne, Melbourne, VIC 3010 Australia.|Bio21 Molecular Science and Biotechnology Institute, The University of Melbourne, Melbourne, VIC 3010 Australia.
authors.forename: Malcolm
authors.initials: M
authors.lastname: McConville
authors.affiliation: Australian Bioinformatics Facility, Centre for Comparative Genomics, Murdoch University, Murdoch, WA 6150 Australia.
authors.forename: Matthew
authors.initials: M
authors.lastname: Bellgard
keywords: LIMS; MASTR-MS; Metabolomics; Omics