These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

432 related articles for article (PubMed ID: 26834843)

  • 1. MetFrag relaunched: incorporating strategies beyond in silico fragmentation.
    Ruttkies C; Schymanski EL; Wolf S; Hollender J; Neumann S
    J Cheminform; 2016; 8():3. PubMed ID: 26834843
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Supporting non-target identification by adding hydrogen deuterium exchange MS/MS capabilities to MetFrag.
    Ruttkies C; Schymanski EL; Strehmel N; Hollender J; Neumann S; Williams AJ; Krauss M
    Anal Bioanal Chem; 2019 Jul; 411(19):4683-4700. PubMed ID: 31209548
    [TBL] [Abstract][Full Text] [Related]  

  • 3. In silico fragmentation for computer assisted identification of metabolite mass spectra.
    Wolf S; Schmidt S; Müller-Hannemann M; Neumann S
    BMC Bioinformatics; 2010 Mar; 11():148. PubMed ID: 20307295
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Annotation of metabolites from gas chromatography/atmospheric pressure chemical ionization tandem mass spectrometry data using an in silico generated compound database and MetFrag.
    Ruttkies C; Strehmel N; Scheel D; Neumann S
    Rapid Commun Mass Spectrom; 2015 Aug; 29(16):1521-9. PubMed ID: 26212167
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Evaluation of an Artificial Neural Network Retention Index Model for Chemical Structure Identification in Nontargeted Metabolomics.
    Samaraweera MA; Hall LM; Hill DW; Grant DF
    Anal Chem; 2018 Nov; 90(21):12752-12760. PubMed ID: 30350614
    [TBL] [Abstract][Full Text] [Related]  

  • 6. MetFusion: integration of compound identification strategies.
    Gerlich M; Neumann S
    J Mass Spectrom; 2013 Mar; 48(3):291-8. PubMed ID: 23494783
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Improving MetFrag with statistical learning of fragment annotations.
    Ruttkies C; Neumann S; Posch S
    BMC Bioinformatics; 2019 Jul; 20(1):376. PubMed ID: 31277571
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Empowering large chemical knowledge bases for exposomics: PubChemLite meets MetFrag.
    Schymanski EL; Kondić T; Neumann S; Thiessen PA; Zhang J; Bolton EE
    J Cheminform; 2021 Mar; 13(1):19. PubMed ID: 33685519
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Performance of combined fragmentation and retention prediction for the identification of organic micropollutants by LC-HRMS.
    Hu M; Müller E; Schymanski EL; Ruttkies C; Schulze T; Brack W; Krauss M
    Anal Bioanal Chem; 2018 Mar; 410(7):1931-1941. PubMed ID: 29380019
    [TBL] [Abstract][Full Text] [Related]  

  • 10. CFM-ID 4.0 - a web server for accurate MS-based metabolite identification.
    Wang F; Allen D; Tian S; Oler E; Gautam V; Greiner R; Metz TO; Wishart DS
    Nucleic Acids Res; 2022 Jul; 50(W1):W165-W174. PubMed ID: 35610037
    [TBL] [Abstract][Full Text] [Related]  

  • 11. CFM-ID: a web server for annotation, spectrum prediction and metabolite identification from tandem mass spectra.
    Allen F; Pon A; Wilson M; Greiner R; Wishart D
    Nucleic Acids Res; 2014 Jul; 42(Web Server issue):W94-9. PubMed ID: 24895432
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Software Tools and Approaches for Compound Identification of LC-MS/MS Data in Metabolomics.
    Blaženović I; Kind T; Ji J; Fiehn O
    Metabolites; 2018 May; 8(2):. PubMed ID: 29748461
    [TBL] [Abstract][Full Text] [Related]  

  • 13. The Compound Characteristics Comparison (CCC) approach: a tool for improving confidence in natural compound identification.
    Narduzzi L; Stanstrup J; Mattivi F; Franceschi P
    Food Addit Contam Part A Chem Anal Control Expo Risk Assess; 2018 Nov; 35(11):2145-2157. PubMed ID: 30352003
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Computational Prediction of Electron Ionization Mass Spectra to Assist in GC/MS Compound Identification.
    Allen F; Pon A; Greiner R; Wishart D
    Anal Chem; 2016 Aug; 88(15):7689-97. PubMed ID: 27381172
    [TBL] [Abstract][Full Text] [Related]  

  • 15. CFM-ID 3.0: Significantly Improved ESI-MS/MS Prediction and Compound Identification.
    Djoumbou-Feunang Y; Pon A; Karu N; Zheng J; Li C; Arndt D; Gautam M; Allen F; Wishart DS
    Metabolites; 2019 Apr; 9(4):. PubMed ID: 31013937
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Solving CASMI 2013 with MetFrag, MetFusion and MOLGEN-MS/MS.
    Schymanski EL; Gerlich M; Ruttkies C; Neumann S
    Mass Spectrom (Tokyo); 2014; 3(Spec Iss 2):S0036. PubMed ID: 26819879
    [TBL] [Abstract][Full Text] [Related]  

  • 17. PyFragMS-A Web Tool for the Investigation of the Collision-Induced Fragmentation Pathways.
    Kostyukevich Y; Sosnin S; Osipenko S; Kovaleva O; Rumiantseva L; Kireev A; Zherebker A; Fedorov M; Nikolaev EN
    ACS Omega; 2022 Mar; 7(11):9710-9719. PubMed ID: 35350354
    [TBL] [Abstract][Full Text] [Related]  

  • 18. MetExpert: An expert system to enhance gas chromatography‒mass spectrometry-based metabolite identifications.
    Qiu F; Lei Z; Sumner LW
    Anal Chim Acta; 2018 Dec; 1037():316-326. PubMed ID: 30292308
    [TBL] [Abstract][Full Text] [Related]  

  • 19. MIDAS: a database-searching algorithm for metabolite identification in metabolomics.
    Wang Y; Kora G; Bowen BP; Pan C
    Anal Chem; 2014 Oct; 86(19):9496-503. PubMed ID: 25157598
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Hydrogen/Deuterium and
    Kostyukevich Y; Zherebker A; Orlov A; Kovaleva O; Burykina T; Isotov B; Nikolaev EN
    Anal Chem; 2020 May; 92(10):6877-6885. PubMed ID: 32167749
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 22.