BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

261 related articles for article (PubMed ID: 27381172)

  • 1. 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]  

  • 2. 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]  

  • 3. CFM-ID 4.0: More Accurate ESI-MS/MS Spectral Prediction and Compound Identification.
    Wang F; Liigand J; Tian S; Arndt D; Greiner R; Wishart DS
    Anal Chem; 2021 Aug; 93(34):11692-11700. PubMed ID: 34403256
    [TBL] [Abstract][Full Text] [Related]  

  • 4. GC-EI-MS datasets of trimethylsilyl (TMS) and
    Ljoncheva M; Stevanoska S; Kosjek T; Džeroski S
    Data Brief; 2023 Jun; 48():109138. PubMed ID: 37128582
    [TBL] [Abstract][Full Text] [Related]  

  • 5. 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]  

  • 6. 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]  

  • 7. GCMS-ID: a webserver for identifying compounds from gas chromatography mass spectrometry experiments.
    Wakoli J; Anjum A; Sajed T; Oler E; Wang F; Gautam V; LeVatte M; Wishart DS
    Nucleic Acids Res; 2024 Jul; 52(W1):W381-W389. PubMed ID: 38783107
    [TBL] [Abstract][Full Text] [Related]  

  • 8. 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]  

  • 9. Sensitivity of GC-EI/MS, GC-EI/MS/MS, LC-ESI/MS/MS, LC-Ag(+) CIS/MS/MS, and GC-ESI/MS/MS for analysis of anabolic steroids in doping control.
    Cha E; Kim S; Kim HJ; Lee KM; Kim KH; Kwon OS; Lee J
    Drug Test Anal; 2015; 7(11-12):1040-9. PubMed ID: 26489966
    [TBL] [Abstract][Full Text] [Related]  

  • 10. How enhanced molecular ions in Cold EI improve compound identification by the NIST library.
    Alon T; Amirav A
    Rapid Commun Mass Spectrom; 2015 Dec; 29(23):2287-92. PubMed ID: 26522322
    [TBL] [Abstract][Full Text] [Related]  

  • 11. A comparison of electron ionization mass spectra obtained at 70 eV, low electron energies, and with cold EI and their NIST library identification probabilities.
    Margolin Eren KJ; Elkabets O; Amirav A
    J Mass Spectrom; 2020 Dec; 55(12):e4646. PubMed ID: 32996658
    [TBL] [Abstract][Full Text] [Related]  

  • 12. 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]  

  • 13. Predicting the Mass Spectra of Environmental Pollutants Using Computational Chemistry: A Case Study and Critical Evaluation.
    Schreckenbach SA; Anderson JSM; Koopman J; Grimme S; Simpson MJ; Jobst KJ
    J Am Soc Mass Spectrom; 2021 Jun; 32(6):1508-1518. PubMed ID: 33982573
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Integrated Strategy for Unknown EI-MS Identification Using Quality Control Calibration Curve, Multivariate Analysis, EI-MS Spectral Database, and Retention Index Prediction.
    Matsuo T; Tsugawa H; Miyagawa H; Fukusaki E
    Anal Chem; 2017 Jun; 89(12):6766-6773. PubMed ID: 28520403
    [TBL] [Abstract][Full Text] [Related]  

  • 15. How Well Can We Predict Mass Spectra from Structures? Benchmarking Competitive Fragmentation Modeling for Metabolite Identification on Untrained Tandem Mass Spectra.
    Bremer PL; Vaniya A; Kind T; Wang S; Fiehn O
    J Chem Inf Model; 2022 Sep; 62(17):4049-4056. PubMed ID: 36043939
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Data independent acquisition for gas chromatographic MS/MS analysis of volatile compounds.
    Karapakdee P; Wilairat P; Kokpol S; Nolvachai Y; Kulsing C
    J Chromatogr A; 2024 Jan; 1714():464527. PubMed ID: 38056391
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Quality control for building libraries from electrospray ionization tandem mass spectra.
    Yang X; Neta P; Stein SE
    Anal Chem; 2014 Jul; 86(13):6393-400. PubMed ID: 24896981
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Improved molecular level identification of organic compounds using comprehensive two-dimensional chromatography, dual ionization energies and high resolution mass spectrometry.
    Worton DR; Decker M; Isaacman-VanWertz G; Chan AWH; Wilson KR; Goldstein AH
    Analyst; 2017 Jul; 142(13):2395-2403. PubMed ID: 28555694
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Construction of a Mass Spectrum Library Containing Predicted Electron Ionization Mass Spectra Prepared Using a Machine Learning Model and the Development of an Efficient Search Method.
    Kubo A; Kubota A; Ishioka H; Hizume T; Ubukata M; Nagatomo K; Satoh T; Yoshida M; Uematsu F
    Mass Spectrom (Tokyo); 2023; 12(1):A0120. PubMed ID: 37250593
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Elucidation of urinary metabolites of fluoxymesterone by liquid chromatography-tandem mass spectrometry and gas chromatography-mass spectrometry.
    Pozo OJ; Van Thuyne W; Deventer K; Van Eenoo P; Delbeke FT
    J Mass Spectrom; 2008 Mar; 43(3):394-408. PubMed ID: 18035854
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 14.