scholarly article | Q13442814 |
P50 | author | Emma L. Schymanski | Q27863244 |
Steffen Neumann | Q28541023 | ||
Reza M. Salek | Q29406339 | ||
Oscar Yanes | Q50420339 | ||
Maria Vinaixa | Q52278264 | ||
P2093 | author name string | Miriam Navarro | |
P2860 | cites work | In silico fragmentation for computer assisted identification of metabolite mass spectra | Q21284354 |
HMDB: the Human Metabolome Database | Q23039065 | ||
A Guideline to Univariate Statistical Analysis for LC/MS-Based Untargeted Metabolomics-Derived Data | Q24273307 | ||
Expansion of the BioCyc collection of pathway/genome databases to 160 genomes | Q24535096 | ||
KEGG: Kyoto Encyclopedia of Genes and Genomes | Q24548371 | ||
Gut flora metabolism of phosphatidylcholine promotes cardiovascular disease | Q24601951 | ||
The Chemical Translation Service--a web-based tool to improve standardization of metabolomic reports | Q27062596 | ||
MZmine 2: modular framework for processing, visualizing, and analyzing mass spectrometry-based molecular profile data | Q27136473 | ||
Automatic recalibration and processing of tandem mass spectra using formula annotation | Q27807487 | ||
The volatile compound BinBase mass spectral database | Q27807490 | ||
Optimization and testing of mass spectral library search algorithms for compound identification | Q27807493 | ||
FiehnLib: Mass Spectral and Retention Index Libraries for Metabolomics Based on Quadrupole and Time-of-Flight Gas Chromatography/Mass Spectrometry | Q27807494 | ||
RIKEN tandem mass spectral database (ReSpect) for phytochemicals: A plant-specific MS/MS-based data resource and database | Q27807496 | ||
MassBank: a public repository for sharing mass spectral data for life sciences | Q27809667 | ||
The SWISS-PROT protein knowledgebase and its supplement TrEMBL in 2003 | Q27860747 | ||
Mass appeal: metabolite identification in mass spectrometry-focused untargeted metabolomics | Q27887476 | ||
Proposed minimum reporting standards for chemical analysis | Q27921801 | ||
How Large Is the Metabolome? A Critical Analysis of Data Exchange Practices in Chemistry | Q27921802 | ||
Metabolomic analysis via reversed-phase ion-pairing liquid chromatography coupled to a stand alone orbitrap mass spectrometer | Q27932159 | ||
WikiPathways: building research communities on biological pathways | Q28090976 | ||
Liquid chromatography quadrupole time-of-flight mass spectrometry characterization of metabolites guided by the METLIN database | Q28686521 | ||
mzML--a community standard for mass spectrometry data | Q28743778 | ||
ChemSpider: An Online Chemical Information Resource | Q28842739 | ||
PubChem: a public information system for analyzing bioactivities of small molecules | Q28842768 | ||
METLIN: a metabolite mass spectral database | Q29614808 | ||
XCMS: processing mass spectrometry data for metabolite profiling using nonlinear peak alignment, matching, and identification | Q29616057 | ||
CAMERA: an integrated strategy for compound spectra extraction and annotation of liquid chromatography/mass spectrometry data sets | Q30318255 | ||
GenBank | Q30324408 | ||
Automatic chemical structure annotation of an LC-MS(n) based metabolic profile from green tea. | Q48039445 | ||
Substructure-based annotation of high-resolution multistage MS(n) spectral trees | Q48046275 | ||
Metabolite identification: are you sure? And how do your peers gauge your confidence? | Q56705224 | ||
Proposed minimum reporting standards for data analysis in metabolomics | Q56974474 | ||
Competitive fragmentation modeling of ESI-MS/MS spectra for putative metabolite identification | Q57014238 | ||
Embedding standards in metabolomics: the Metabolomics Society data standards task group | Q57016019 | ||
MaConDa: a publicly accessible mass spectrometry contaminants database | Q57803250 | ||
The Golm Metabolome Database: a database for GC-MS based metabolite profiling | Q58036737 | ||
Proposed quantitative and alphanumeric metabolite identification metrics | Q59465189 | ||
Annotating unknown components from GC/EI-MS-based metabolite profiling experiments using GC/APCI(+)-QTOFMS | Q63945810 | ||
Estimation of Kováts retention indices using group contributions | Q79969018 | ||
Development of a database of gas chromatographic retention properties of organic compounds | Q80417801 | ||
GMD@CSB.DB: the Golm Metabolome Database | Q30482803 | ||
MZmine: toolbox for processing and visualization of mass spectrometry based molecular profile data | Q31029218 | ||
On the inter-instrument and inter-laboratory transferability of a tandem mass spectral reference library: 1. Results of an Austrian multicenter study. | Q33402532 | ||
MetAlign: interface-driven, versatile metabolomics tool for hyphenated full-scan mass spectrometry data preprocessing | Q33420030 | ||
Mass spectrometry tools and metabolite-specific databases for molecular identification in metabolomics | Q33475674 | ||
X-Rank: a robust algorithm for small molecule identification using tandem mass spectrometry | Q33496217 | ||
Decision tree supported substructure prediction of metabolites from GC-MS profiles | Q33595767 | ||
Unknown identification using reference mass spectra. Quality evaluation of databases | Q33786135 | ||
AStream: an R package for annotating LC/MS metabolomic data | Q33849602 | ||
Automated workflows for accurate mass-based putative metabolite identification in LC/MS-derived metabolomic datasets | Q34164910 | ||
Mass spectral reference libraries: an ever-expanding resource for chemical identification | Q34339989 | ||
Metabolite identification and molecular fingerprint prediction through machine learning. | Q34344462 | ||
Development of a GC/Quadrupole-Orbitrap mass spectrometer, part I: design and characterization | Q34379764 | ||
Development of a GC/Quadrupole-Orbitrap mass spectrometer, part II: new approaches for discovery metabolomics | Q34379791 | ||
MyCompoundID: using an evidence-based metabolome library for metabolite identification | Q34571864 | ||
MetFusion: integration of compound identification strategies | Q34620986 | ||
LIPID MAPS online tools for lipid research | Q34640464 | ||
LipidBlast in silico tandem mass spectrometry database for lipid identification | Q34788808 | ||
Chemical substructure identification by mass spectral library searching | Q35038192 | ||
Extending biochemical databases by metabolomic surveys | Q35084955 | ||
Quality control for building libraries from electrospray ionization tandem mass spectra | Q35181512 | ||
Molecular networking and pattern-based genome mining improves discovery of biosynthetic gene clusters and their products from Salinispora species | Q35538609 | ||
Identification of a new endogenous metabolite and the characterization of its protein interactions through an immobilization approach | Q37327032 | ||
The role of reporting standards for metabolite annotation and identification in metabolomic studies | Q37368054 | ||
Database resources in metabolomics: an overview | Q37471556 | ||
Lipid classification, structures and tools | Q37715815 | ||
Computational strategies for metabolite identification in metabolomics | Q37810161 | ||
Advances in metabolite identification | Q37914159 | ||
Innovation: Metabolomics: the apogee of the omics trilogy | Q37995821 | ||
Comprehensive foodomics study on the mechanisms operating at various molecular levels in cancer cells in response to individual rosemary polyphenols | Q38959875 | ||
Global Foodomics strategy to investigate the health benefits of dietary constituents. | Q39326514 | ||
CE/LC-MS multiplatform for broad metabolomic analysis of dietary polyphenols effect on colon cancer cells proliferation. | Q39570331 | ||
CFM-ID: a web server for annotation, spectrum prediction and metabolite identification from tandem mass spectra | Q41861014 | ||
Towards first principles calculation of electron impact mass spectra of molecules | Q43518566 | ||
isoMETLIN: a database for isotope-based metabolomics | Q47115538 | ||
P407 | language of work or name | English | Q1860 |
P921 | main subject | metabolomics | Q12149006 |
P304 | page(s) | 23-35 | |
P577 | publication date | 2016-04-01 | |
P1433 | published in | Trends in Analytical Chemistry | Q1024959 |
P1476 | title | Mass spectral databases for LC/MS- and GC/MS-based metabolomics: State of the field and future prospects | |
P478 | volume | 78 |
Q92971818 | "-Omics" workflow for paleolimnological and geological archives: A review |
Q104142911 | Glechoma curviflora Volatile Oil from Palestine: Chemical Composition and Neuroprotective, Antimicrobial, and Cyclooxygenase Inhibitory Activities |
Q105264586 | A European proposal for quality control and quality assurance of tandem mass spectral libraries |
Q94950034 | A Fast and Memory-Efficient Spectral Library Search Algorithm using Locality-Sensitive Hashing |
Q54091044 | A Machine Learning Application Based in Random Forest for Integrating Mass Spectrometry-Based Metabolomic Data: A Simple Screening Method for Patients With Zika Virus. |
Q114864453 | A Multi-Label Classifier for Predicting the Most Appropriate Instrumental Method for the Analysis of Contaminants of Emerging Concern |
Q93074523 | A complex matrix characterization approach, applied to cigarette smoke, that integrates multiple analytical methods and compound identification strategies for non-targeted liquid chromatography with high-resolution mass spectrometry |
Q57181059 | A global HILIC-MS approach to measure polar human cerebrospinal fluid metabolome: Exploring gender-associated variation in a cohort of elderly cognitively healthy subjects |
Q94957622 | A review of strategies for untargeted urinary metabolomic analysis using gas chromatography-mass spectrometry |
Q112578303 | A scalable workflow to characterize the human exposome |
Q57492500 | A target screening method for detection of organic pollutants in fruits and vegetables by atmospheric pressure gas chromatography quadrupole-time-of-flight mass spectrometry combined with informatics platform |
Q47614283 | A tutorial in small molecule identification via electrospray ionization-mass spectrometry: The practical art of structural elucidation |
Q92568646 | Acetone immersion enhanced MALDI-MS imaging of small molecule metabolites in biological tissues |
Q115888795 | Advanced analytical and informatic strategies for metabolite annotation in untargeted metabolomics |
Q59511134 | Advances in mass spectrometry based single-cell metabolomics |
Q38608766 | Advances in metabolome information retrieval: turning chemistry into biology. Part I: analytical chemistry of the metabolome. |
Q114864485 | An assessment of quality assurance/quality control efforts in high resolution mass spectrometry non-target workflows for analysis of environmental samples |
Q58114782 | An automated framework for NMR chemical shift calculations of small organic molecules |
Q98955747 | An improved detection and identification strategy for untargeted metabolomics based on UPLC-MS |
Q114869419 | An overview of tools, software, and methods for natural product fragment and mass spectral analysis |
Q100479156 | An untargeted metabolomics strategy to measure differences in metabolite uptake and excretion by mammalian cell lines |
Q38743617 | Analysis of Volatile Compounds by Advanced Analytical Techniques and Multivariate Chemometrics. |
Q114871317 | Analytical methods used in the study of Parkinson's disease |
Q92037331 | Analytical techniques for metabolomic studies: a review |
Q61813879 | Annotating Nontargeted LC-HRMS/MS Data with Two Complementary Tandem Mass Spectral Libraries |
Q45982135 | Annotation: A Computational Solution for Streamlining Metabolomics Analysis. |
Q114871051 | Applying metabolomics to veterinary pharmacology and therapeutics |
Q46261538 | Assessment of potential false positives via orbitrap-based untargeted lipidomics from rat tissues |
Q99573830 | Automated synthesis: current platforms and further needs |
Q61999209 | Autonomous METLIN-Guided In-source Fragment Annotation for Untargeted Metabolomics |
Q96339679 | BMDMS-NP: A comprehensive ESI-MS/MS spectral library of natural compounds |
Q58611555 | Baitmet, a computational approach for GC–MS library-driven metabolite profiling |
Q55514177 | Bayesian networks for mass spectrometric metabolite identification via molecular fingerprints. |
Q36384183 | Bioinformatics can boost metabolomics research |
Q92233371 | Capillary Electrophoresis Mass Spectrometry as a Tool for Untargeted Metabolomics |
Q47136387 | Characterizing the lipid and metabolite changes associated with placental function and pregnancy complications using ion mobility spectrometry-mass spectrometry and mass spectrometry imaging. |
Q90920292 | ChemFrag: Chemically meaningful annotation of fragment ion mass spectra |
Q90721937 | Chemical Diversity and Classification of Secondary Metabolites in Nine Bryophyte Species |
Q114869663 | Chromatography hyphenated to high resolution mass spectrometry in untargeted metabolomics for investigation of food (bio)markers |
Q38713255 | Clustering of MS(2) spectra using unsupervised methods to aid the identification of secondary metabolites from Pseudomonas aeruginosa. |
Q59337073 | Combinational Biomarkers for Atrial Fibrillation Derived from Atrial Appendage and Plasma Metabolomics Analysis |
Q55344960 | Comparative assessment of Graves' disease and main extrathyroidal manifestation, Graves' ophthalmopathy, by non-targeted metabolite profiling of blood and orbital tissue. |
Q91661972 | Comparative metabolomics implicates threitol as a fungal signal supporting colonization of Armillaria luteobubalina on eucalypt roots |
Q115715271 | Comparison of Cosine, Modified Cosine, and Neutral Loss Based Spectrum Alignment For Discovery of Structurally Related Molecules |
Q47153055 | Comprehensive Metabolomic Profiling and Incident Cardiovascular Disease: A Systematic Review |
Q37733172 | Computational Metabolomics: A Framework for the Million Metabolome |
Q39629470 | Computational Prediction of Electron Ionization Mass Spectra to Assist in GC/MS Compound Identification. |
Q114866426 | Computational methods for small molecule identification |
Q58584032 | Contribution of Untargeted Metabolomics for Future Assessment of Biotech Crops |
Q91254035 | Creating a Reliable Mass Spectral-Retention Time Library for All Ion Fragmentation-Based Metabolomics |
Q55284839 | Current Challenges in Plant Eco-Metabolomics. |
Q92921291 | Current Practice in Untargeted Human Milk Metabolomics |
Q57181047 | Current and future perspectives of functional metabolomics in disease studies-A review |
Q56705218 | Dark matter in host-microbiome metabolomics: Tackling the unknowns–A review |
Q58054727 | Data analysis strategies for targeted and untargeted LC-MS metabolomic studies: Overview and workflow |
Q114864640 | Database-independent molecular formula annotation using Gibbs sampling through ZODIAC |
Q92235912 | Deciphering complex metabolite mixtures by unsupervised and supervised substructure discovery and semi-automated annotation from MS/MS spectra |
Q125345366 | DecoID improves identification rates in metabolomics through database-assisted MS/MS deconvolution |
Q92767531 | DecoMetDIA: Deconvolution of Multiplexed MS/MS Spectra for Metabolite Identification in SWATH-MS-Based Untargeted Metabolomics |
Q99635407 | Deep Learning Driven GC-MS Library Search and Its Application for Metabolomics |
Q90985257 | Deep Learning to Generate in Silico Chemical Property Libraries and Candidate Molecules for Small Molecule Identification in Complex Samples |
Q112754704 | Delivery of acetamiprid to tea leaves enabled by porous silica nanoparticles: efficiency, distribution and metabolism of acetamiprid in tea plants |
Q91383433 | Development of a high-coverage matrix-assisted laser desorption/ionization mass spectrometry imaging method for visualizing the spatial dynamics of functional metabolites in Salvia miltiorrhiza Bge |
Q88504907 | Development of a versatile high-temperature short-time (HTST) pasteurization device for small-scale processing of cell culture medium formulations |
Q97689436 | Development of an Atmospheric Pressure Chemical Ionization Interface for GC-MS |
Q38377751 | Differentiating signals to make biological sense - A guide through databases for MS-based non-targeted metabolomics. |
Q125741439 | Discovering pesticides and their TPs in Luxembourg waters using open cheminformatics approaches |
Q39141307 | Epimetabolites: discovering metabolism beyond building and burning |
Q47644503 | Examining the sources of variability in cell culture media used for biopharmaceutical production |
Q60781639 | Exhaled breath analysis using electronic nose and gas chromatography–mass spectrometry for non-invasive diagnosis of chronic kidney disease, diabetes mellitus and healthy subjects |
Q114868389 | Expanding the Coverage of the Metabolic Landscape in Cultivated Rice with Integrated Computational Approaches |
Q57058318 | Expanding the use of spectral libraries in proteomics |
Q91221854 | Exploration of the microbiota and metabolites within body fluids could pinpoint novel disease mechanisms |
Q38686439 | Exploratory metabolomics of biomarker identification for the internet gaming disorder in young Korean males. |
Q104584764 | Exploring the Use of Gas Chromatography Coupled to Chemical Ionization Mass Spectrometry (GC-CI-MS) for Stable Isotope Labeling in Metabolomics |
Q39195544 | Exploring the human microbiome from multiple perspectives: factors altering its composition and function. |
Q56838997 | Exposing the Exposome with Global Metabolomics and Cognitive Computing |
Q46611493 | Exposome-Scale Investigations Guided by Global Metabolomics, Pathway Analysis, and Cognitive Computing. |
Q49834341 | Extracting Knowledge from MS Clinical Metabolomic Data: Processing and Analysis Strategies. |
Q50056570 | Extraction techniques and analysis of anthocyanins from food sources by mass spectrometry: An update. |
Q90493030 | Fast and facile preparation of nanostructured silicon surfaces for laser desorption/ionization mass spectrometry of small compounds |
Q114869796 | Feedomics: Promises for food security with sustainable food animal production |
Q90988411 | Fingerprinting, Antimicrobial, Antioxidant, Anticancer, Cyclooxygenase and Metabolic Enzymes Inhibitory Characteristic Evaluations of Stachys viticina Boiss. Essential Oil |
Q28821682 | From Sample to Multi-Omics Conclusions in under 48 Hours |
Q92152476 | From Samples to Insights into Metabolism: Uncovering Biologically Relevant Information in LC-HRMS Metabolomics Data |
Q114865389 | GC-MS profiling of leukemia cells: an optimized preparation protocol for the intracellular metabolome |
Q105826365 | Global chemical analysis of biology by mass spectrometry |
Q124694954 | Good practices and recommendations for using and benchmarking computational metabolomics metabolite annotation tools |
Q114836340 | Gut microbiota-related metabolome analysis based on chromatography-mass spectrometry |
Q110391824 | HERMES: a molecular-formula-oriented method to target the metabolome |
Q92916526 | High Resolution GC-Orbitrap-MS Metabolomics Using Both Electron Ionization and Chemical Ionization for Analysis of Human Plasma |
Q114868348 | High-Resolution Liquid Chromatography Tandem Mass Spectrometry Enables Large Scale Molecular Characterization of Dissolved Organic Matter |
Q36077253 | High-mass-resolution MALDI mass spectrometry imaging of metabolites from formalin-fixed paraffin-embedded tissue |
Q92370905 | Hydrogen-Deuterium Scrambling Based on Chemical Isotope Labeling Coupled with LC-MS: Application to Amine Metabolite Identification in Untargeted Metabolomics |
Q62833195 | ISiCLE: A Quantum Chemistry Pipeline for Establishing in Silico Collision Cross Section Libraries |
Q63383919 | Identification of bioactive metabolites using activity metabolomics |
Q90368967 | Identification of non volatile migrant compounds and NIAS in polypropylene films used as food packaging characterized by UPLC-MS/QTOF |
Q29994570 | Identification of small molecules using accurate mass MS/MS search |
Q39295321 | Imaging mass spectrometry for metabolites: technical progress, multimodal imaging, and biological interactions |
Q92692244 | Impact of sample preparation upon intracellular metabolite measurements in 3D cell culture systems |
Q90080287 | Implementation of liquid chromatography-high resolution mass spectrometry methods for untargeted metabolomic analyses of biological samples: A tutorial |
Q89059686 | Improving metabolome coverage and data quality: advancing metabolomics and lipidomics for biomarker discovery |
Q114868819 | In Silico Collision Cross Section Calculations to Aid Metabolite Annotation |
Q39007140 | In Situ Metabolomics in Cancer by Mass Spectrometry Imaging |
Q114864737 | Increasing selectivity and coverage in LC-MS based metabolome analysis |
Q87933918 | Infrared ion spectroscopy: an analytical tool for the study of metabolites |
Q36409064 | Integrating Microbiome and Metabolome Data to Understand Infectious Airway Disease |
Q39030354 | Integrating ion mobility spectrometry into mass spectrometry-based exposome measurements: what can it add and how far can it go? |
Q98567889 | Integration of GC-MS and LC-MS for untargeted metabolomics profiling |
Q28077746 | Internet Databases of the Properties, Enzymatic Reactions, and Metabolism of Small Molecules-Search Options and Applications in Food Science |
Q100521507 | Investigating biological effects of multidimensional carboxylated carbon-based nanomaterials on human lung A549 cells revealed via non-targeted metabolomics approach |
Q91881123 | Letter to the Editor: Optimism for Nontarget Analysis in Environmental Chemistry |
Q92377071 | Linking in silico MS/MS spectra with chemistry data to improve identification of unknowns |
Q92742567 | METLIN: A Tandem Mass Spectral Library of Standards |
Q47554803 | METLIN: A Technology Platform for Identifying Knowns and Unknowns. |
Q114869761 | MIDAS-G: a computational platform for investigating fragmentation rules of tandem mass spectrometry in metabolomics |
Q114869603 | Maize specialized metabolome networks reveal organ-preferential mixed glycosides |
Q114866917 | Mass Spectrometry Adduct Calculator |
Q114868803 | Mass spectrometry based untargeted metabolomics for plant systems biology |
Q93196949 | Mass spectrometry-based forest tree metabolomics |
Q99577462 | Mass spectrometry-based metabolomics for an in-depth questioning of human health |
Q52313920 | Mass spectrometry-based metabolomics for tuberculosis meningitis. |
Q114871768 | Mass spectrometry-based metabolomics: a guide for annotation, quantification and best reporting practices |
Q114865896 | Mass spectrometry‐based metabolomic analysis as a tool for quality control of natural complex products |
Q114868054 | MassGenie: A Transformer-Based Deep Learning Method for Identifying Small Molecules from Their Mass Spectra |
Q27702197 | MetFrag relaunched: incorporating strategies beyond in silico fragmentation |
Q89550660 | Metabolic Profile and Evaluation of Biological Activities of Extracts from the Stems of Cissus trifoliata |
Q55395909 | Metabolic Profiling of Dendrobium officinale in Response to Precursors and Methyl Jasmonate. |
Q64081714 | Metabolic reaction network-based recursive metabolite annotation for untargeted metabolomics |
Q62020445 | Metabolite Identification in Complex Mixtures Using Nuclear Magnetic Resonance Spectroscopy |
Q115082374 | Metabolite annotation from knowns to unknowns through knowledge-guided multi-layer metabolic networking |
Q50214422 | Metabolomic Analysis of Glioma Cells Using Nanoflow Liquid Chromatography-Tandem Mass Spectrometry. |
Q97636564 | Metabolomic analysis in ophthalmology |
Q92782602 | Metabolomic and Lipidomic Signatures of Metabolic Syndrome and its Physiological Components in Adults: A Systematic Review |
Q114868948 | Metabolomic approaches for the determination of metabolites from pathogenic microorganisms: A review |
Q54256083 | Metabolomic profiling of macrophages determines the discrete metabolomic signature and metabolomic interactome triggered by polarising immune stimuli. |
Q48093305 | Metabolomic spectral libraries for data-independent SWATH liquid chromatography mass spectrometry acquisition. |
Q93022451 | Metabolomics Analysis of Leishmania by Capillary Electrophoresis and Mass Spectrometry |
Q114873002 | Metabolomics Approaches for the Comprehensive Evaluation of Fermented Foods: A Review |
Q91542712 | Metabolomics Signatures in Type 2 Diabetes: A Systematic Review and Integrative Analysis |
Q54956477 | Metabolomics activity screening for identifying metabolites that modulate phenotype. |
Q38645656 | Metabolomics and Integrative Omics for the Development of Thai Traditional Medicine |
Q114865034 | Metabolomics for personalized medicine: the input of analytical chemistry from biomarker discovery to point-of-care tests |
Q39131684 | Metabolomics in Alzheimer's disease: The need of complementary analytical platforms for the identification of biomarkers to unravel the underlying pathology |
Q92718432 | Metabolomics in early detection and prognosis of acute coronary syndrome |
Q60949366 | Metabolomics of Pregnancy Complications: Emerging Application of Maternal Hair |
Q114873107 | Metabolomics workflow as a driven tool for rapid detection of metabolites in doping analysis. Development and validation |
Q125564114 | Metabolomics-Guided Comparison of Pollen and Microalgae-Based Artificial Diets in Honey Bees |
Q26741270 | Metabolomics: Bridging the Gap between Pharmaceutical Development and Population Health |
Q103732217 | Metabolomics: a systems biology approach for enhancing heat stress tolerance in plants |
Q46206242 | Metabolomics: beyond biomarkers and towards mechanisms |
Q57056928 | Methodological considerations for large-scale breath analysis studies: lessons from the U-BIOPRED severe asthma project |
Q57015975 | Mind the Gap: Mapping Mass Spectral Databases in Genome-Scale Metabolic Networks Reveals Poorly Covered Areas |
Q114865940 | Molecular networking and collision cross section prediction for structural isomer and unknown compound identification in plant metabolomics: a case study applied to Zhanthoxylum heitzii extracts |
Q52330832 | Multi-analytical strategy for unassigned peaks using physical/mathematical separation, fragmental rules and retention index prediction: An example of sesquiterpene metabolites characterization in Cyperus rotundus. |
Q96678457 | NFDI4Chem - Towards a National Research Data Infrastructure for Chemistry in Germany |
Q81825151 | NORMAN digital sample freezing platform: A European virtual platform to exchange liquid chromatography high resolution-mass spectrometry data and screen suspects in “digitally frozen” environmental samples |
Q90248344 | Network Medicine in Pathobiology |
Q92193054 | Non-targeted Screening in Environmental Monitoring Programs |
Q47709709 | Nontarget Screening with High Resolution Mass Spectrometry in the Environment: Ready to Go? |
Q47094520 | Null diffusion-based enrichment for metabolomics data. |
Q91271571 | Nutrimetabolomics: An Integrative Action for Metabolomic Analyses in Human Nutritional Studies |
Q28068009 | Omics-Based Strategies in Precision Medicine: Toward a Paradigm Shift in Inborn Errors of Metabolism Investigations |
Q38742529 | On the outside looking in: redefining the role of analytical chemistry in the biosciences |
Q90594041 | On-Line Analysis of Exhaled Breath Focus Review |
Q92742560 | Overview of Tandem Mass Spectral and Metabolite Databases for Metabolite Identification in Metabolomics |
Q114864892 | PeakForest: a multi-platform digital infrastructure for interoperable metabolite spectral data and metadata management |
Q49589108 | Performance of combined fragmentation and retention prediction for the identification of organic micropollutants by LC-HRMS. |
Q93166672 | Phytotoxicity induced by engineered nanomaterials as explored by metabolomics: Perspectives and challenges |
Q114868911 | Public LC-Orbitrap Tandem Mass Spectral Library for Metabolite Identification |
Q113439169 | PyFragMS─A Web Tool for the Investigation of the Collision-Induced Fragmentation Pathways |
Q114864324 | Quantum Chemistry Calculations for Metabolomics |
Q92304931 | Rapid Screening of Complex Matrices: Utilizing Kendrick Mass Defect To Enhance Knowledge-Based Group Type Evaluation of Multidimensional Gas Chromatography-High-Resolution Time-of-Flight Mass Spectrometry Data |
Q91884964 | Rapid screening methods for yeast sub-metabolome analysis with a high-resolution ion mobility quadrupole time-of-flight mass spectrometer |
Q90414248 | Reading From the Crystal Ball: The Laws of Moore and Kurzweil Applied to Mass Spectrometry in Food Analysis |
Q114864180 | Recent advances in proteomics and metabolomics in plants |
Q57181073 | Recent advances in the applications of metabolomics in eye research |
Q105264614 | Recent analytical methods for risk assessment of emerging contaminants in ecosystems |
Q38902333 | Recent applications of NMR in food and dietary studies |
Q114866028 | Recent applications of high resolution mass spectrometry for the characterization of plant natural products |
Q52311428 | Recent development in mass spectrometry and its hyphenated techniques for the analysis of medicinal plants. |
Q38722471 | Review of emerging metabolomic tools and resources: 2015-2016. |
Q92105597 | Review of recent developments in GC-MS approaches to metabolomics-based research |
Q27795847 | SPLASH, a hashed identifier for mass spectra |
Q31151444 | Searching molecular structure databases using tandem MS data: are we there yet? |
Q104690611 | Seeing the forest for the trees: Retrieving plant secondary biochemical pathways from metabolome networks |
Q37607540 | Semiautomated Alignment of High-Throughput Metabolite Profiles with Chemometric Tools. |
Q56889965 | Software Tools and Approaches for Compound Identification of LC-MS/MS Data in Metabolomics |
Q56705220 | Statistical Approaches for LC-HRMS Data To Characterize, Prioritize, and Identify Transformation Products from Water Treatment Processes |
Q92972554 | Streamlined MRM method transfer between instruments assisted with HRMS matching and retention-time prediction |
Q114191889 | Suspect and non-targeted screening-based human biomonitoring identified 74 biomarkers of exposure in urine of Slovenian children |
Q102369470 | Systematic classification of unknown metabolites using high-resolution fragmentation mass spectra |
Q106137919 | Systems Biology: Methods and Applications |
Q90937089 | Targeted Isolation of Neuroprotective Dicoumaroyl Neolignans and Lignans from Sageretia theezans Using in Silico Molecular Network Annotation Propagation-Based Dereplication |
Q92125201 | The Chinese medicinal herbs of spleen-meridian property regulate body temperature in yeast-induced fever rats |
Q92162723 | The METLIN small molecule dataset for machine learning-based retention time prediction |
Q64054944 | The Study of Dried Ginger and Linggan Wuwei Jiangxin Decoction Treatment of Cold Asthma Rats Using GC-MS Based Metabolomics |
Q114872142 | The foodome of bivalve molluscs: From hedonic eating to healthy diet |
Q63352039 | The role of analytical chemistry in exposure science: Focus on the aquatic environment |
Q38639037 | The use of LC predicted retention times to extend metabolites identification with SWATH data acquisition |
Q89511039 | Toward a Standardized Strategy of Clinical Metabolomics for the Advancement of Precision Medicine |
Q38816309 | Two stage algorithm vs commonly used approaches for the suspect screening of complex environmental samples analyzed via liquid chromatography high resolution time of flight mass spectroscopy: A test study. |
Q92972497 | UHPLC-QTOF-MS/MS-SPE-NMR: A Solution to the Metabolomics Grand Challenge of Higher-Throughput, Confident Metabolite Identifications |
Q33925080 | Unsupervised Discovery and Comparison of Structural Families Across Multiple Samples in Untargeted Metabolomics |
Q112766550 | Untargeted In Silico Compound Classification—A Novel Metabolomics Method to Assess the Chemodiversity in Bryophytes |
Q38617319 | Untargeted LC-MS/MS Profiling of Cell Culture Media Formulations for Evaluation of High Temperature Short Time Treatment Effects. |
Q98886337 | Untargeted Metabolomics Workshop Report: Quality Control Considerations from Sample Preparation to Data Analysis |
Q90520733 | Untargeted and Targeted Discrimination of Honey Collected by Apis cerana and Apis mellifera Based on Volatiles Using HS-GC-IMS and HS-SPME-GC-MS |
Q37063195 | Urinary antihypertensive drug metabolite screening using molecular networking coupled to high-resolution mass spectrometry fragmentation |
Q114870876 | Urinary non-targeted toxicokinetics and metabolic fingerprinting of exposure to 3-monochloropropane-1,2-diol and glycidol from refined edible oils |
Q93219776 | Use of carbon isotopic ratios in nontargeted analysis to screen for anthropogenic compounds in complex environmental matrices |
Q46021124 | Using Accurate Mass Gas Chromatography-Mass Spectrometry with the MINE Database for Epimetabolite Annotation. |
Q92328577 | Using metabolomics to assess the sub-lethal effects of zinc and boscalid on an estuarine polychaete worm over time |
Q114868219 | What We Know So Far about the Metabolite-Mediated Microbiota-Intestinal Immunity Dialogue and How to Hear the Sound of This Crosstalk |
Q36119970 | eRah: A Computational Tool Integrating Spectral Deconvolution and Alignment with Quantification and Identification of Metabolites in GC/MS-Based Metabolomics. |
Q38950565 | iMet: A Network-Based Computational Tool To Assist in the Annotation of Metabolites from Tandem Mass Spectra. |
Q63352284 | mzTab-M: A Data Standard for Sharing Quantitative Results in Mass Spectrometry Metabolomics |
Search more.