Detalhe da pesquisa
1.
Spectral entropy outperforms MS/MS dot product similarity for small-molecule compound identification.
Nat Methods
; 18(12): 1524-1531, 2021 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-34857935
2.
Alternative Identification of Glycosides Using MS/MS Matching with an In Silico-Modified Aglycone Mass Spectra Library.
Anal Chem
; 95(28): 10618-10624, 2023 07 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-37390485
3.
How Well Can We Predict Mass Spectra from Structures? Benchmarking Competitive Fragmentation Modeling for Metabolite Identification on Untrained Tandem Mass Spectra.
J Chem Inf Model
; 62(17): 4049-4056, 2022 09 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-36043939
4.
Structure Annotation of All Mass Spectra in Untargeted Metabolomics.
Anal Chem
; 91(3): 2155-2162, 2019 02 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-30608141
5.
Metabolomics Reveals the Molecular Mechanisms of Copper Induced Cucumber Leaf ( Cucumis sativus) Senescence.
Environ Sci Technol
; 52(12): 7092-7100, 2018 06 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-29792813
6.
Using fragmentation trees and mass spectral trees for identifying unknown compounds in metabolomics.
Trends Analyt Chem
; 69: 52-61, 2015 Jun 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-26213431
7.
Lipid metabolism drives allele-specific early-stage hypertrophic cardiomyopathy.
bioRxiv
; 2023 Nov 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-38014251
8.
A Comprehensive Plasma Metabolomics Dataset for a Cohort of Mouse Knockouts within the International Mouse Phenotyping Consortium.
Metabolites
; 9(5)2019 May 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-31121816
9.
Distinctive Patterns of Flavonoid Biosynthesis in Roots and Nodules of Datisca glomerata and Medicago spp. Revealed by Metabolomic and Gene Expression Profiles.
Front Plant Sci
; 9: 1463, 2018.
Artigo
em Inglês
| MEDLINE | ID: mdl-30364174
10.
Using MS-FINDER for identifying 19 natural products in the CASMI 2016 contest.
Phytochem Lett
; 21: 306-312, 2017 Sep.
Artigo
em Inglês
| MEDLINE | ID: mdl-31576201
11.
Critical Assessment of Small Molecule Identification 2016: automated methods.
J Cheminform
; 9(1): 22, 2017 Mar 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-29086042
12.
Ultrafast Polyphenol Metabolomics of Red Wines Using MicroLC-MS/MS.
J Agric Food Chem
; 64(2): 505-12, 2016 Jan 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-26698107
13.
An in silico MS/MS library for automatic annotation of novel FAHFA lipids.
J Cheminform
; 7: 53, 2015.
Artigo
em Inglês
| MEDLINE | ID: mdl-26579213
14.
Qualitative analysis of algal secretions with multiple mass spectrometric platforms.
J Chromatogr A
; 1244: 139-47, 2012 Jun 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-22608776