MassBank Europe
Names
More detailed information about this field from each metasource.
MassBank Europe
metasource: Fairsharing.org
version: FAIRsharing.org: MassBank; MassBank Europe; DOI: https://doi.org/10.25504/FAIRsharing.dk451a; Last edited: April 26, 2021, 4:06 p.m.; Last accessed: Jan 03 2022 7:07 p.m.
MassBank
metasource: Fairsharing.org
version: FAIRsharing.org: MassBank; MassBank Europe; DOI: https://doi.org/10.25504/FAIRsharing.dk451a; Last edited: April 26, 2021, 4:06 p.m.; Last accessed: Jan 03 2022 7:07 p.m.
metasource: re3data.org
version: re3data.org: European MassBank; editing status 2022-05-06; re3data.org - Registry of Research Data Repositories. http://doi.org/10.17616/R3K05Z last accessed: 2022-11-04
metasource: bio.tools
version: extracted_at: 2022-11-04T11:29:55.195815
European MassBank
metasource: re3data.org
version: re3data.org: European MassBank; editing status 2022-05-06; re3data.org - Registry of Research Data Repositories. http://doi.org/10.17616/R3K05Z last accessed: 2022-11-04
High Resolution Mass Spectral Database
metasource: re3data.org
version: re3data.org: European MassBank; editing status 2022-05-06; re3data.org - Registry of Research Data Repositories. http://doi.org/10.17616/R3K05Z last accessed: 2022-11-04
NORMAN MassBank
metasource: re3data.org
version: re3data.org: European MassBank; editing status 2022-05-06; re3data.org - Registry of Research Data Repositories. http://doi.org/10.17616/R3K05Z last accessed: 2022-11-04
massbank
metasource: bio.tools
version: extracted_at: 2022-11-04T11:29:55.195815
Names
More detailed information about this field from each metasource.
MassBank Europe
metasource: Fairsharing.orgversion: FAIRsharing.org: MassBank; MassBank Europe; DOI: https://doi.org/10.25504/FAIRsharing.dk451a; Last edited: April 26, 2021, 4:06 p.m.; Last accessed: Jan 03 2022 7:07 p.m.
MassBank
metasource: Fairsharing.orgversion: FAIRsharing.org: MassBank; MassBank Europe; DOI: https://doi.org/10.25504/FAIRsharing.dk451a; Last edited: April 26, 2021, 4:06 p.m.; Last accessed: Jan 03 2022 7:07 p.m.
metasource: re3data.org
version: re3data.org: European MassBank; editing status 2022-05-06; re3data.org - Registry of Research Data Repositories. http://doi.org/10.17616/R3K05Z last accessed: 2022-11-04
metasource: bio.tools
version: extracted_at: 2022-11-04T11:29:55.195815
European MassBank
metasource: re3data.orgversion: re3data.org: European MassBank; editing status 2022-05-06; re3data.org - Registry of Research Data Repositories. http://doi.org/10.17616/R3K05Z last accessed: 2022-11-04
High Resolution Mass Spectral Database
metasource: re3data.orgversion: re3data.org: European MassBank; editing status 2022-05-06; re3data.org - Registry of Research Data Repositories. http://doi.org/10.17616/R3K05Z last accessed: 2022-11-04
NORMAN MassBank
metasource: re3data.orgversion: re3data.org: European MassBank; editing status 2022-05-06; re3data.org - Registry of Research Data Repositories. http://doi.org/10.17616/R3K05Z last accessed: 2022-11-04
massbank
metasource: bio.toolsversion: extracted_at: 2022-11-04T11:29:55.195815
Other names: MassBank, European MassBank, High Resolution Mass Spectral Database, NORMAN MassBank, massbank
Names
More detailed information about this field from each metasource.
MassBank Europe
metasource: Fairsharing.orgversion: FAIRsharing.org: MassBank; MassBank Europe; DOI: https://doi.org/10.25504/FAIRsharing.dk451a; Last edited: April 26, 2021, 4:06 p.m.; Last accessed: Jan 03 2022 7:07 p.m.
MassBank
metasource: Fairsharing.orgversion: FAIRsharing.org: MassBank; MassBank Europe; DOI: https://doi.org/10.25504/FAIRsharing.dk451a; Last edited: April 26, 2021, 4:06 p.m.; Last accessed: Jan 03 2022 7:07 p.m.
metasource: re3data.org
version: re3data.org: European MassBank; editing status 2022-05-06; re3data.org - Registry of Research Data Repositories. http://doi.org/10.17616/R3K05Z last accessed: 2022-11-04
metasource: bio.tools
version: extracted_at: 2022-11-04T11:29:55.195815
European MassBank
metasource: re3data.orgversion: re3data.org: European MassBank; editing status 2022-05-06; re3data.org - Registry of Research Data Repositories. http://doi.org/10.17616/R3K05Z last accessed: 2022-11-04
High Resolution Mass Spectral Database
metasource: re3data.orgversion: re3data.org: European MassBank; editing status 2022-05-06; re3data.org - Registry of Research Data Repositories. http://doi.org/10.17616/R3K05Z last accessed: 2022-11-04
NORMAN MassBank
metasource: re3data.orgversion: re3data.org: European MassBank; editing status 2022-05-06; re3data.org - Registry of Research Data Repositories. http://doi.org/10.17616/R3K05Z last accessed: 2022-11-04
massbank
metasource: bio.toolsversion: extracted_at: 2022-11-04T11:29:55.195815
MassBank is the first public repository of mass spectral data for sharing them among scientific research community. MassBank data are useful for the chemical identification and structure elucidation of chemical compounds detected by mass spectrometry.
Description
More detailed information about this field from each metasource.
MassBank is the first public repository of mass spectral data for sharing them among scientific research community. MassBank data are useful for the chemical identification and structure elucidation of chemical compounds detected by mass spectrometry.
metasource: Fairsharing.orgversion: FAIRsharing.org: MassBank; MassBank Europe; DOI: https://doi.org/10.25504/FAIRsharing.dk451a; Last edited: April 26, 2021, 4:06 p.m.; Last accessed: Jan 03 2022 7:07 p.m.
Database of mass spectra of known, unknown and provisionally identified substances. MassBank is the first public repository of mass spectral data for sharing them among scientific research community. MassBank data are useful for the chemical identification and structure elucidation of chemical compounds detected by mass spectrometry.
metasource: re3data.orgversion: re3data.org: European MassBank; editing status 2022-05-06; re3data.org - Registry of Research Data Repositories. http://doi.org/10.17616/R3K05Z last accessed: 2022-11-04
MassBank is a public repository of mass spectra of small chemical compounds for life sciences (<3000 Da). The database contains spectra from EI‐MS, fast atom bombardment MS, electrospray ionization (ESI)‐MSn data of thousands of authentic standards, EI‐MS and other‐MS data of thousands of volatile natural and synthetic compounds, and ESI‐MS2 data of synthetic drugs contributed by research groups worldwide. ESI‐MS2 data were analyzed under nonstandardized, independent experimental conditions. MassBank users can access either all of the MassBank data or a subset of the data by specifying one or more experimental conditions. In a spectral search to retrieve mass spectra similar to a query mass spectrum, the similarity score is calculated by a weighted cosine correlation in which weighting exponents on peak intensity and the mass‐to‐charge ratio are optimized to the ESI‐MS2 data. MassBank is useful for the identification of chemical compounds and the publication of experimental data.
metasource: bio.toolsversion: extracted_at: 2022-11-04T11:29:55.195815
Webpage:
https://massbank.eu/MassBank/Webpage
More detailed information about this field from each metasource.
https://massbank.eu/MassBank/
metasource: Fairsharing.orgversion: FAIRsharing.org: MassBank; MassBank Europe; DOI: https://doi.org/10.25504/FAIRsharing.dk451a; Last edited: April 26, 2021, 4:06 p.m.; Last accessed: Jan 03 2022 7:07 p.m.
metasource: re3data.org
version: re3data.org: European MassBank; editing status 2022-05-06; re3data.org - Registry of Research Data Repositories. http://doi.org/10.17616/R3K05Z last accessed: 2022-11-04
https://massbank.eu/
metasource: bio.toolsversion: extracted_at: 2022-11-04T11:29:55.195815
Licence:
Name: Individual licenses based on creative commons are annotated to each datasetLicence name
More detailed information about this field from each metasource.
Individual licenses based on creative commons are annotated to each dataset
metasource: Fairsharing.orgversion: FAIRsharing.org: MassBank; MassBank Europe; DOI: https://doi.org/10.25504/FAIRsharing.dk451a; Last edited: April 26, 2021, 4:06 p.m.; Last accessed: Jan 03 2022 7:07 p.m.
Copyrights
metasource: re3data.orgversion: re3data.org: European MassBank; editing status 2022-05-06; re3data.org - Registry of Research Data Repositories. http://doi.org/10.17616/R3K05Z last accessed: 2022-11-04
Licence URL
More detailed information about this field from each metasource.
https://creativecommons.org/
metasource: Fairsharing.orgversion: FAIRsharing.org: MassBank; MassBank Europe; DOI: https://doi.org/10.25504/FAIRsharing.dk451a; Last edited: April 26, 2021, 4:06 p.m.; Last accessed: Jan 03 2022 7:07 p.m.
https://massbank.eu/MassBank/Index
metasource: re3data.orgversion: re3data.org: European MassBank; editing status 2022-05-06; re3data.org - Registry of Research Data Repositories. http://doi.org/10.17616/R3K05Z last accessed: 2022-11-04
Publications:
Publications
More detailed information about this field from each metasource.
MassBank: a public repository for sharing mass spectral data for life sciences
PMID: 20623627
metasource: Fairsharing.org
version: FAIRsharing.org: MassBank; MassBank Europe; DOI: https://doi.org/10.25504/FAIRsharing.dk451a; Last edited: April 26, 2021, 4:06 p.m.; Last accessed: Jan 03 2022 7:07 p.m.
http://dx.doi.org/10.1002/jms.1777
metasource: bio.tools
version: extracted_at: 2022-11-04T11:29:55.195815
Publications
More detailed information about this field from each metasource.
MassBank: a public repository for sharing mass spectral data for life sciences
PMID: 20623627
metasource: Fairsharing.org
version: FAIRsharing.org: MassBank; MassBank Europe; DOI: https://doi.org/10.25504/FAIRsharing.dk451a; Last edited: April 26, 2021, 4:06 p.m.; Last accessed: Jan 03 2022 7:07 p.m.
http://dx.doi.org/10.1002/jms.1777
metasource: bio.toolsversion: extracted_at: 2022-11-04T11:29:55.195815
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MassBank: a public repository for sharing mass spectral data for life sciences
PubMed citations: 549.
549 articles citing: MassBank: a public repository for sharing mass spectral data for life sciences
Margaritaria nobilis L.F. (Phyllanthaceae): Ethnopharmacology and Application of Computational Tools in the Annotation of Bioactive Molecules. PMID:35893248
A Current Encyclopedia of Bioinformatics Tools, Data Formats and Resources for Mass Spectrometry Lipidomics. PMID:35888710
Heliotropium ramosissimum metabolic profiling, in silico and in vitro evaluation with potent selective cytotoxicity against colorectal carcinoma. PMID:35869153
Comprehensive metabolome analysis of intracellular metabolites in cultured cells. PMID:35819883
MetHoS: a platform for large-scale processing, storage and analysis of metabolomics data. PMID:35804309
Enhancing untargeted metabolomics using metadata-based source annotation. PMID:35798960
Deep kernel learning improves molecular fingerprint prediction from tandem mass spectra. PMID:35758813
Lactiplantibacillus plantarum P9 improved gut microbial metabolites and alleviated inflammatory response in pesticide exposure cohorts. PMID:35733791
Sample Preparation, Data Acquisition, and Data Analysis for 15N-Labeled and Nonlabeled Monoterpene Indole Alkaloids in Catharanthus roseus. PMID:35732936
Switchgrass Metabolomics Reveals Striking Genotypic and Developmental Differences in Specialized Metabolic Phenotypes. PMID:35729681
Communicating Confidence of Per- and Polyfluoroalkyl Substance Identification via High-Resolution Mass Spectrometry. PMID:35719859
Direct Prediction of Physicochemical Properties and Toxicities of Chemicals from Analytical Descriptors by GC-MS. PMID:35700270
PeakForest: a multi-platform digital infrastructure for interoperable metabolite spectral data and metadata management. PMID:35699774
A Defined Medium for Cultivation and Exometabolite Profiling of Soil Bacteria. PMID:35694313
A Comprehensive Database for DNA Adductomics. PMID:35692690
Gas Chromatography-Mass Spectrometry (GC-MS) Analysis of Candida auris Metabolites. PMID:35674952
Reprogramming of Plant Central Metabolism in Response to Abiotic Stresses: A Metabolomics View. PMID:35628526
Application of MS-Based Metabolomic Approaches in Analysis of Starfish and Sea Cucumber Bioactive Compounds. PMID:35621972
The LOTUS initiative for open knowledge management in natural products research. PMID:35616633
A Conserved Biosynthetic Gene Cluster Is Regulated by Quorum Sensing in a Shipworm Symbiont. PMID:35611654
CFM-ID 4.0 - a web server for accurate MS-based metabolite identification. PMID:35610037
Time-related multivariate strategy for the comprehensive evaluation of microbial chemical data. PMID:35608707
Integrated Framework for Identifying Toxic Transformation Products in Complex Environmental Mixtures. PMID:35600207
MINE 2.0: Enhanced biochemical coverage for peak identification in untargeted metabolomics. PMID:35595247
Mass Spectrometry Imaging for Spatial Chemical Profiling of Vegetative Parts of Plants. PMID:35567235
Space- and Time-Resolved Metabolomics of a High-Grade Serous Ovarian Cancer Mouse Model. PMID:35565391
Fungal secondary metabolites in food and pharmaceuticals in the era of multi-omics. PMID:35546367
UHPLC-HRMS/MS on untargeted metabolomics: a case study with Copaifera (Fabaceae). PMID:35481022
A Novel Strategy for Unveiling Spatial Distribution Pattern of Gallotannins in Paeonia rockii and Paeonia ostii Based on LC-QTRAP-MS. PMID:35448513
foodMASST a mass spectrometry search tool for foods and beverages. PMID:35444218
Flexible Implementation of the Trilinearity Constraint in Multivariate Curve Resolution Alternating Least Squares (MCR-ALS) of Chromatographic and Other Type of Data. PMID:35408738
The Delay of Raphanus raphanistrum subsp. sativus (L.) Domin Seed Germination Induced by Coumarin Is Mediated by a Lower Ability to Sustain the Energetic Metabolism. PMID:35406823
In Silico Collision Cross Section Calculations to Aid Metabolite Annotation. PMID:35378036
Finding Correspondence between Metabolomic Features in Untargeted Liquid Chromatography-Mass Spectrometry Metabolomics Datasets. PMID:35360896
Metabolomics Study of Different Germplasm Resources for Three Polygonatum Species Using UPLC-Q-TOF-MS/MS. PMID:35360317
Fruity, sticky, stinky, spicy, bitter, addictive, and deadly: evolutionary signatures of metabolic complexity in the Solanaceae. PMID:35332352
HR-LC-ESI-Orbitrap-MS-Based Metabolic Profiling Coupled with Chemometrics for the Discrimination of Different Echinops spinosus Organs and Evaluation of Their Antioxidant Activity. PMID:35326103
Application of Feature-Based Molecular Networking for Comparative Metabolomics and Targeted Isolation of Stereoisomers from Algicolous Fungi. PMID:35323509
Predictive metabolomics of multiple Atacama plant species unveils a core set of generic metabolites for extreme climate resilience. PMID:35288949
Plasma proteomic and metabolomic characterization of COVID-19 survivors 6 months after discharge. PMID:35288537
Combination of GC-MS Molecular Networking and Larvicidal Effect against Aedes aegypti for the Discovery of Bioactive Substances in Commercial Essential Oils. PMID:35268689
Metabolomics on the study of marine organisms. PMID:35235054
Nigericin and Geldanamycin Are Phytotoxic Specialized Metabolites Produced by the Plant Pathogen Streptomyces sp. 11-1-2. PMID:35225656
A Modular and Expandable Ecosystem for Metabolomics Data Annotation in R. PMID:35208247
Metabolomic Analysis Reveals Nutritional Diversity among Three Staple Crops and Three Fruits. PMID:35206028
Searching for plant-derived antivirals against dengue virus and Zika virus. PMID:35193667
Automated Annotation of Untargeted All-Ion Fragmentation LC-MS Metabolomics Data with MetaboAnnotatoR. PMID:35180347
Comparative metabolomics with Metaboseek reveals functions of a conserved fat metabolism pathway in C. elegans. PMID:35145075
Developments in high-resolution mass spectrometric analyses of new psychoactive substances. PMID:35141767
Targeting intestinal flora and its metabolism to explore the laxative effects of rhubarb. PMID:35129656
Differential Regulation and Production of Secondary Metabolites among Isolates of the Fungal Wheat Pathogen Zymoseptoria tritici. PMID:35108092
Combining Isotopologue Workflows and Simultaneous Multidimensional Separations to Detect, Identify, and Validate Metabolites in Untargeted Analyses. PMID:35089687
In silico deconjugation of glucuronide conjugates enhances tandem mass spectra library annotation of human samples. PMID:35080654
Effects of Cage and Floor Rearing Systems on the Metabolic Components of the Uropygial Gland in Ducks. PMID:35049836
In Vitro Anti-Diabetic Activities and UHPLC-ESI-MS/MS Profile of Muntingia calabura Leaves Extract. PMID:35011523
Carotenoid Cocktail Produced by An Antarctic Soil Flavobacterium with Biotechnological Potential. PMID:34946021
Plant Copper Metalloenzymes As Prospects for New Metabolism Involving Aromatic Compounds. PMID:34925392
Development of RIKEN Plant Metabolome MetaDatabase. PMID:34918130
Sex disparate gut microbiome and metabolome perturbations precede disease progression in a mouse model of Rett syndrome. PMID:34916612
Development of Analytical Strategies for the Determination of Olive Fruit Bioactive Compounds Using UPLC-HRMS and HPLC-DAD. Chemical Characterization of Kolovi Lesvos Variety as a Case Study. PMID:34885766
Investigating the replicability of preclinical cancer biology. PMID:34874005
Living with a giant, flowering parasite: metabolic differences between Tetrastigma loheri Gagnep. (Vitaceae) shoots uninfected and infected with Rafflesia (Rafflesiaceae) and potential applications for propagation. PMID:34841446
Advances in decomposing complex metabolite mixtures using substructure- and network-based computational metabolomics approaches. PMID:34821250
Defective cytokinin signaling reprograms lipid and flavonoid gene-to-metabolite networks to mitigate high salinity in Arabidopsis. PMID:34815339
Discovery and biosynthesis of cyclic plant peptides via autocatalytic cyclases. PMID:34811516
Prochlorococcus extracellular vesicles: molecular composition and adsorption to diverse microbes. PMID:34766712
Mining plant metabolomes: Methods, applications, and perspectives. PMID:34746766
Coupling Suspect and Nontarget Screening with Mass Balance Modeling to Characterize Organic Micropollutants in the Onondaga Lake-Three Rivers System. PMID:34730951
Metabolite discovery through global annotation of untargeted metabolomics data. PMID:34711973
The Changes in Endogenous Metabolites in Hyperlipidemic Rats Treated with Herbal Mixture Containing Lemon, Apple Cider, Garlic, Ginger, and Honey. PMID:34684574
Large-Scale Non-Targeted Metabolomics Reveals Antioxidant, Nutraceutical and Therapeutic Potentials of Sorghum. PMID:34679645
SARS-CoV2 Infection Alters Tryptophan Catabolism and Phospholipid Metabolism. PMID:34677374
High-coverage metabolomics uncovers microbiota-driven biochemical landscape of interorgan transport and gut-brain communication in mice. PMID:34667167
Defining the Scope of Exposome Studies and Research Needs from a Multidisciplinary Perspective. PMID:34660833
Dynamic Transcriptomic and Metabolomic Analyses of Madhuca pasquieri (Dubard) H. J. Lam During the Post-germination Stages. PMID:34659296
High-confidence structural annotation of metabolites absent from spectral libraries. PMID:34650271
Predicting compound amenability with liquid chromatography-mass spectrometry to improve non-targeted analysis. PMID:34648052
Substances of emerging concern in Baltic Sea water: Review on methodological advances for the environmental assessment and proposal for future monitoring. PMID:34637089
Liquid Chromatography-Mass Spectrometry for Clinical Metabolomics: An Overview. PMID:34628633
Advancements in capturing and mining mass spectrometry data are transforming natural products research. PMID:34612288
Secretomics: a biochemical footprinting tool for developing microalgal cultivation strategies. PMID:34580746
Lipid Metabolite Biomarkers in Cardiovascular Disease: Discovery and Biomechanism Translation from Human Studies. PMID:34564437
The role of pollination in controlling Ginkgo biloba ovule development. PMID:34558676
Mass spectrometry-based metabolomics in microbiome investigations. PMID:34552265
Recent Developments Toward Integrated Metabolomics Technologies (UHPLC-MS-SPE-NMR and MicroED) for Higher-Throughput Confident Metabolite Identifications. PMID:34540897
Marine dissolved organic matter: a vast and unexplored molecular space. PMID:34536106
Prospects and challenges of cancer systems medicine: from genes to disease networks. PMID:34471925
A data independent acquisition all ion fragmentation mode tool for the suspect screening of natural toxins in surface water. PMID:34434806
Metabolomics for personalized medicine: the input of analytical chemistry from biomarker discovery to point-of-care tests. PMID:34432105
Serine Metabolism Tunes Immune Responses To Promote Oreochromis niloticus Survival upon Edwardsiella tarda Infection. PMID:34427522
Dissecting Metabolism of Leaf Nodules in Ardisia crenata and Psychotria punctata. PMID:34395523
Production of purple Ma bamboo (Dendrocalamus latiflorus Munro) with enhanced drought and cold stress tolerance by engineering anthocyanin biosynthesis. PMID:34386845
Multi-omic profiling of plasma reveals molecular alterations in children with COVID-19. PMID:34335977
Navigating through chemical space and evolutionary time across the Australian continent in plant genus Eremophila. PMID:34324744
Longitudinal metabolomics of human plasma reveals prognostic markers of COVID-19 disease severity. PMID:34308390
Development of an Accurate Mass Retention Time Database for Untargeted Metabolomic Analysis and Its Application to Plasma and Urine Pediatric Samples. PMID:34299531
Clitorienolactones and Isoflavonoids of Clitorea ternatea Roots Alleviate Stress-Like Symptoms in a Reserpine-Induced Zebrafish Model. PMID:34299411
Identification of Pesticide Transformation Products in Surface Water Using Suspect Screening Combined with National Monitoring Data. PMID:34291901
A Comprehensive Non-targeted Analysis Study of the Prenatal Exposome. PMID:34260856
Coupling proteomics and metabolomics for the unsupervised identification of protein-metabolite interactions in Chaetomium thermophilum. PMID:34242379
DecoID improves identification rates in metabolomics through database-assisted MS/MS deconvolution. PMID:34239103
Insight into chemical basis of traditional Chinese medicine based on the state-of-the-art techniques of liquid chromatography-mass spectrometry. PMID:34221863
Comparative Metabolic Profiling of Grape Pulp during the Growth Process Reveals Systematic Influences under Root Restriction. PMID:34208022
What We Know So Far about the Metabolite-Mediated Microbiota-Intestinal Immunity Dialogue and How to Hear the Sound of This Crosstalk. PMID:34205653
Untargeted Metabolomics and Antioxidant Capacities of Muscadine Grape Genotypes during Berry Development. PMID:34200012
MassBase: A large-scaled depository of mass spectrometry datasets for metabolome analysis. PMID:34177338
Metabolomic and Pharmacologic Insights of Aerial and Underground Parts of Glycyrrhiza uralensis Fisch. ex DC. for Maximum Utilization of Medicinal Resources. PMID:34140890
Phenolic Compounds of Red Wine Aglianico del Vulture Modulate the Functional Activity of Macrophages via Inhibition of NF-κB and the Citrate Pathway. PMID:34122722
Advances in the Study of Metabolomics and Metabolites in Some Species Interactions. PMID:34072976
Constituents of Chamaecrista diphylla (L.) Greene Leaves with Potent Antioxidant Capacity: A Feature-Based Molecular Network Dereplication Approach. PMID:34068527
Metabolomic Analysis Evidences That Uterine Epithelial Cells Enhance Blastocyst Development in a Microfluidic Device. PMID:34068340
TOMATOMET: A metabolome database consists of 7118 accurate mass values detected in mature fruits of 25 tomato cultivars. PMID:33969254
UPLC-TOF-MS/MS-Based Metabolomics Analysis Reveals Species-Specific Metabolite Compositions in Pitchers of Nepenthes ampullaria, Nepenthes rafflesiana, and Their Hybrid Nepenthes × hookeriana. PMID:33968110
Marine Community Metabolomes Carry Fingerprints of Phytoplankton Community Composition. PMID:33947800
Feature-Based Molecular Network-Guided Dereplication of Natural Bioactive Products from Leaves of Stryphnodendron pulcherrimum (Willd.) Hochr. PMID:33946668
Plasma Metabolome and Lipidome Associations with Type 2 Diabetes and Diabetic Nephropathy. PMID:33918080
Essential Oils in Experimental Models of Neuropsychiatric Disorders: A Systematic Review. PMID:33882807
An Arabidopsis lipid map reveals differences between tissues and dynamic changes throughout development. PMID:33866624
An integrated strategy of MS-network-based offline 2DLC-QTOF-MS/MS coupled with UHPLC-QTRAP®-MS/MS for the characterization and quantification of the non-polysaccharides in Sijunzi decoction. PMID:33851227
Potential Cancer- and Alzheimer's Disease-Targeting Phosphodiesterase Inhibitors from Uvaria alba: Insights from In Vitro and Consensus Virtual Screening. PMID:33817501
Cross-Species Comparison of Metabolomics to Decipher the Metabolic Diversity in Ten Fruits. PMID:33809004
Untargeted In Silico Compound Classification-A Novel Metabolomics Method to Assess the Chemodiversity in Bryophytes. PMID:33806786
In-Vitro and In-Silico Assessment of Per- and Polyfluoroalkyl Substances (PFAS) in Aqueous Film-Forming Foam (AFFF) Binding to Human Serum Albumin. PMID:33803062
The Assessment and the Within-Plant Variation of the Morpho-Physiological Traits and VOCs Profile in Endemic and Rare Salvia ceratophylloides Ard. (Lamiaceae). PMID:33802380
Maize Resistance to Stem Borers Can Be Modulated by Systemic Maize Responses to Long-Term Stem Tunneling. PMID:33777059
Suspect Screening, Prioritization, and Confirmation of Environmental Chemicals in Maternal-Newborn Pairs from San Francisco. PMID:33726493
Carotenoids produced by the deep-sea bacterium Erythrobacter citreus LAMA 915: detection and proposal of their biosynthetic pathway. PMID:33723710
Maize specialized metabolome networks reveal organ-preferential mixed glycosides. PMID:33680356
Spec2Vec: Improved mass spectral similarity scoring through learning of structural relationships. PMID:33591968
Chemical and Pharmacological Potential of Coccoloba cowellii, an Endemic Endangered Plant from Cuba. PMID:33578815
Longitudinal Metabolomics of Human Plasma Reveals Robust Prognostic Markers of COVID-19 Disease Severity. PMID:33564793
Untargeted Metabolomic Analysis Combined With Multivariate Statistics Reveal Distinct Metabolic Changes in GPR40 Agonist-Treated Animals Related to Bile Acid Metabolism. PMID:33521051
Comprehensive profiling of semi-polar phytochemicals in whole wheat grains (Triticum aestivum) using liquid chromatography coupled with electrospray ionization quadrupole time-of-flight mass spectrometry. PMID:33502591
Planomonospora: A Metabolomics Perspective on an Underexplored Actinobacteria Genus. PMID:33496580
Structure Database and In Silico Spectral Library for Comprehensive Suspect Screening of Per- and Polyfluoroalkyl Substances (PFASs) in Environmental Media by High-resolution Mass Spectrometry. PMID:33496574
Effects of Immunization With the Soil-Derived Bacterium Mycobacterium vaccae on Stress Coping Behaviors and Cognitive Performance in a "Two Hit" Stressor Model. PMID:33469429
Human Plasma Metabolomics for Biomarker Discovery: Targeting the Molecular Subtypes in Breast Cancer. PMID:33466323
Non-targeted tandem mass spectrometry enables the visualization of organic matter chemotype shifts in coastal seawater. PMID:33460888
Bifidobacterium bifidum strains synergize with immune checkpoint inhibitors to reduce tumour burden in mice. PMID:33432149
Genomics- and Metabolomics-Based Investigation of the Deep-Sea Sediment-Derived Yeast, Rhodotorula mucilaginosa 50-3-19/20B. PMID:33396687
Seeing the forest for the trees: Retrieving plant secondary biochemical pathways from metabolome networks. PMID:33384856
The Chemical Exposome of Human Aging. PMID:33329714
Side-stream products of malting: a neglected source of phytochemicals. PMID:33311514
Unravelling Chemical Composition of Agave Spines: News from Agave fourcroydes Lem. PMID:33255527
UV-B Induced Flavonoids Contribute to Reduced Biotrophic Disease Susceptibility in Lettuce Seedlings. PMID:33250915
Probabilistic framework for integration of mass spectrum and retention time information in small molecule identification. PMID:33244585
Systematic classification of unknown metabolites using high-resolution fragmentation mass spectra. PMID:33230292
Integrated metabolomics and transcriptomics study of traditional herb Astragalus membranaceus Bge. var. mongolicus (Bge.) Hsiao reveals global metabolic profile and novel phytochemical ingredients. PMID:33208098
Evaluation of Different Tandem MS Acquisition Modes to Support Metabolite Annotation in Human Plasma Using Ultra High-Performance Liquid Chromatography High-Resolution Mass Spectrometry for Untargeted Metabolomics. PMID:33203160
Metabolic Alterations in FMR1 Premutation Carriers. PMID:33195417
Design and Characterisation of a Randomized Food Intervention That Mimics Exposure to a Typical UK Diet to Provide Urine Samples for Identification and Validation of Metabolite Biomarkers of Food Intake. PMID:33195362
How to perform spectrum-based LC-HR-MS screening for more than 1,000 NPS with HighResNPS consensus fragment ions. PMID:33180844
Auto-deconvolution and molecular networking of gas chromatography-mass spectrometry data. PMID:33169034
Metabolite signatures of diverse Camellia sinensis tea populations. PMID:33149146
Deep metabolome: Applications of deep learning in metabolomics. PMID:33133423
Multi-Targeted Metabolic Profiling of Carotenoids, Phenolic Compounds and Primary Metabolites in Goji (Lycium spp.) Berry and Tomato (Solanum lycopersicum) Reveals Inter and Intra Genus Biomarkers. PMID:33096702
Feature-Based Molecular Networking to Target the Isolation of New Caffeic Acid Esters from Yacon (Smallanthus sonchifolius, Asteraceae). PMID:33066019
Phytotoxicity, Morphological, and Metabolic Effects of the Sesquiterpenoid Nerolidol on Arabidopsis thaliana Seedling Roots. PMID:33053766
Circulating Metabolites as Potential Biomarkers for Neurological Disorders-Metabolites in Neurological Disorders. PMID:33003305
Hair Growth Activity of Three Plants of the Polynesian Cosmetopoeia and Their Regulatory Effect on Dermal Papilla Cells. PMID:32977422
Insights on the Structural and Metabolic Resistance of Potato (Solanum tuberosum) Cultivars to Tuber Black Dot (Colletotrichum coccodes). PMID:32973846
A multi-omics approach to solving problems in plant disease ecology. PMID:32960892
Metabolic Profiling of a Porcine Combat Trauma-Injury Model Using NMR and Multi-Mode LC-MS Metabolomics-A Preliminary Study. PMID:32948079
Food Phenotyping: Recording and Processing of Non-Targeted Liquid Chromatography Mass Spectrometry Data for Verifying Food Authenticity. PMID:32878155
Ion mobility collision cross-section atlas for known and unknown metabolite annotation in untargeted metabolomics. PMID:32859911
A Metabolomics Workflow for Analyzing Complex Biological Samples Using a Combined Method of Untargeted and Target-List Based Approaches. PMID:32854199
Integrated Quantitative Proteomics and Metabolome Profiling Reveal MSMEG_6171 Overexpression Perturbing Lipid Metabolism of Mycobacterium smegmatis Leading to Increased Vancomycin Resistance. PMID:32793136
The Repository Chemotion: Infrastructure for Sustainable Research in Chemistry*. PMID:32785962
Clinical Multi-Omics Study on the Gut Microbiota in Critically Ill Patients After Cardiovascular Surgery Combined With Cardiopulmonary Bypass With or Without Sepsis (MUL-GM-CSCPB Study): A Prospective Study Protocol. PMID:32733902
Comprehensive GCMS and LC-MS/MS Metabolite Profiling of Chlorella vulgaris. PMID:32709006
Hura crepitans L. Extract: Phytochemical Characterization, Antioxidant Activity, and Nanoformulation. PMID:32549193
Machine Learning Applications for Mass Spectrometry-Based Metabolomics. PMID:32545768
Evaluation of bioactive compounds and antioxidant capacity of edible feijoa (Acca sellowiana (O. Berg) Burret) flower extracts. PMID:32431331
JUMPm: A Tool for Large-Scale Identification of Metabolites in Untargeted Metabolomics. PMID:32408578
Reproducible molecular networking of untargeted mass spectrometry data using GNPS. PMID:32405051
Bioinformatics Resources for Plant Abiotic Stress Responses: State of the Art and Opportunities in the Fast Evolving -Omics Era. PMID:32384671
Pathway-Activity Likelihood Analysis and Metabolite Annotation for Untargeted Metabolomics Using Probabilistic Modeling. PMID:32375258
BioHackathon 2015: Semantics of data for life sciences and reproducible research. PMID:32308977
Hierarchical clustering of MS/MS spectra from the firefly metabolome identifies new lucibufagin compounds. PMID:32269256
Metabolomics Benefits from Orbitrap GC-MS-Comparison of Low- and High-Resolution GC-MS. PMID:32260407
"notame": Workflow for Non-Targeted LC-MS Metabolic Profiling. PMID:32244411
HIGH RESOLUTION MASS SPECTROMETRY IN LIPIDOMICS. PMID:32233039
Discrimination of Adzuki Bean (Vigna angularis) Geographical Origin by Targeted and Non-Targeted Metabolite Profiling with Gas Chromatography Time-of-Flight Mass Spectrometry. PMID:32192187
Wikidata as a knowledge graph for the life sciences. PMID:32180547
Stable Isotope-Assisted Metabolomics for Deciphering Xenobiotic Metabolism in Mammalian Cell Culture. PMID:32167285
MMHub, a database for the mulberry metabolome. PMID:32159764
An Integrated Multi-Disciplinary Perspectivefor Addressing Challenges of the Human Gut Microbiome. PMID:32155792
Targeted Isolation of Indole Alkaloids from Streptomyces sp. CT37. PMID:32131464
Fragmentation of Dicarboxylic and Tricarboxylic Acids in the Krebs Cycle Using GC-EI-MS and GC-EI-MS/MS. PMID:32010541
Defensive Responses of Tea Plants (Camellia sinensis) Against Tea Green Leafhopper Attack: A Multi-Omics Study. PMID:32010173
Skyline for Small Molecules: A Unifying Software Package for Quantitative Metabolomics. PMID:31984744
Crowd-Sourced Chemistry: Considerations for Building a Standardized Database to Improve Omic Analyses. PMID:31984253
Dissection of flag leaf metabolic shifts and their relationship with those occurring simultaneously in developing seed by application of non-targeted metabolomics. PMID:31978163
Study of the Royal Jelly Free Fatty Acids by Liquid Chromatography-High Resolution Mass Spectrometry (LC-HRMS). PMID:31963373
Isolation, Genomic and Metabolomic Characterization of Streptomyces tendae VITAKN with Quorum Sensing Inhibitory Activity from Southern India. PMID:31963137
The dynamic response of the Arabidopsis root metabolome to auxin and ethylene is not predicted by changes in the transcriptome. PMID:31959762
Metabolomics in the Context of Plant Natural Products Research: From Sample Preparation to Metabolite Analysis. PMID:31952212
Methods of the Analysis of Oxylipins in Biological Samples. PMID:31952163
Comparative Phytochemical Characterization, Genetic Profile, and Antiproliferative Activity of Polyphenol-Rich Extracts from Pigmented Tubers of Different Solanum tuberosum Varieties. PMID:31935970
Unraveling Asian Soybean Rust metabolomics using mass spectrometry and Molecular Networking approach. PMID:31924833
Mass spectrometry searches using MASST. PMID:31894142
From Samples to Insights into Metabolism: Uncovering Biologically Relevant Information in LC-HRMS Metabolomics Data. PMID:31861212
Metabolomics: A Way Forward for Crop Improvement. PMID:31847393
Emerging Insights into the Metabolic Alterations in Aging Using Metabolomics. PMID:31847272
Metabolite database for root, tuber, and banana crops to facilitate modern breeding in understudied crops. PMID:31845400
Lipidomics from sample preparation to data analysis: a primer. PMID:31820027
A comparative metabolomics analysis of the components of heartwood and sapwood in Taxus chinensis (Pilger) Rehd. PMID:31776382
An omics perspective on drug target discovery platforms. PMID:31774113
Exploring novel secondary metabolites from natural products using pre-processed mass spectral data. PMID:31758082
A comparative evaluation of the generalised predictive ability of eight machine learning algorithms across ten clinical metabolomics data sets for binary classification. PMID:31728648
Knockout of the non-essential gene SUGCT creates diet-linked, age-related microbiome disbalance with a diabetes-like metabolic syndrome phenotype. PMID:31722069
Stable Isotope-Assisted Plant Metabolomics: Combination of Global and Tracer-Based Labeling for Enhanced Untargeted Profiling and Compound Annotation. PMID:31708958
The Role of Lipidomics in Autism Spectrum Disorder. PMID:31691195
Exploring the Phytochemical Landscape of the Early-Diverging Flowering Plant Amborella trichopoda Baill. PMID:31652707
Cucumber CsTRY Negatively Regulates Anthocyanin Biosynthesis and Trichome Formation When Expressed in Tobacco. PMID:31649700
Chemical Diversity and Classification of Secondary Metabolites in Nine Bryophyte Species. PMID:31614655
Identification of metabolites from tandem mass spectra with a machine learning approach utilizing structural features. PMID:31605112
Using MS-FINDER for identifying 19 natural products in the CASMI 2016 contest. PMID:31576201
The metaRbolomics Toolbox in Bioconductor and beyond. PMID:31548506
Maize sugary enhancer1 (se1) is a gene affecting endosperm starch metabolism. PMID:31548423
Effects of Extract of Arrabidaea chica Verlot on an Experimental Model of Osteoarthritis. PMID:31547612
Toward collaborative open data science in metabolomics using Jupyter Notebooks and cloud computing. PMID:31522294
Comparative metabolomics of MCF-7 breast cancer cells using different extraction solvents assessed by mass spectroscopy. PMID:31511569
Drug Metabolite Cluster-Based Data-Mining Method for Comprehensive Metabolism Study of 5-hydroxy-6,7,3',4'-tetramethoxyflavone in Rats. PMID:31505804
Distinct Morphological, Physiological, and Biochemical Responses to Light Quality in Barley Leaves and Roots. PMID:31475023
LAS: A Lipid Annotation Service Capable of Explaining the Annotations It Generates. PMID:31462967
Flavonoid Biosynthesis Is Likely More Susceptible to Elevation and Tree Age Than Other Branch Pathways Involved in Phenylpropanoid Biosynthesis in Ginkgo Leaves. PMID:31417595
Linking in silico MS/MS spectra with chemistry data to improve identification of unknowns. PMID:31375670
Improved Small Molecule Identification through Learning Combinations of Kernel Regression Models. PMID:31374904
Assessing Chemical Diversity in Psilotum nudum (L.) Beauv., a Pantropical Whisk Fern That Has Lost Many of Its Fern-Like Characters. PMID:31354756
Promoting Beneficial and Inhibiting Undesirable Biofilm Formation with Mangrove Extracts. PMID:31331112
Human milk and infant formula differentially alters the microbiota composition and functional gene relative abundance in the small and large intestines in weanling rats. PMID:31325042
Deep Metabolomics of a High-Grade Serous Ovarian Cancer Triple-Knockout Mouse Model. PMID:31290664
A new insight into purinergic pharmacology: Three fungal species as natural P2X7R antagonists. PMID:31264271
Mass Spectrometry Data Repository Enhances Novel Metabolite Discoveries with Advances in Computational Metabolomics. PMID:31238512
Redox balance, metabolic fingerprint and physiological characterization in contrasting North East Indian rice for Aluminum stress tolerance. PMID:31213660
Targeted and Untargeted Metabolomics as an Enhanced Tool for the Detection of Pomegranate Juice Adulteration. PMID:31208020
Systematic Isolation and Structure Elucidation of Urinary Metabolites Optimized for the Analytical-Scale Molecular Profiling Laboratory. PMID:31188566
Compound Identification Using Liquid Chromatography and High-Resolution Noncontact Fraction Collection with a Solenoid Valve. PMID:31096846
Unearthing fungal chemodiversity and prospects for drug discovery. PMID:31071615
Addressing the pitfalls when designing intervention studies to discover and validate biomarkers of habitual dietary intake. PMID:31049735
High-resolution MS/MS metabolomics by data-independent acquisition reveals urinary metabolic alteration in experimental colitis. PMID:31041724
Rapid Prediction of Electron-Ionization Mass Spectrometry Using Neural Networks. PMID:31041390
Network Medicine in Pathobiology. PMID:31014954
CFM-ID 3.0: Significantly Improved ESI-MS/MS Prediction and Compound Identification. PMID:31013937
Modular systems metabolic engineering enables balancing of relevant pathways for l-histidine production with Corynebacterium glutamicum. PMID:30962820
Optimization of the Data Treatment Steps of a Non-targeted LC-MS-Based Workflow for the Identification of Trace Chemical Residues in Honey. PMID:30877654
De novo structure determination of 3-((3-aminopropyl)amino)-4-hydroxybenzoic acid, a novel and abundant metabolite in Acinetobacter baylyi ADP1. PMID:30874951
Multi-omics comparisons of p-aminosalicylic acid (PAS) resistance in folC mutated and un-mutated Mycobacterium tuberculosis strains. PMID:30866779
A large-scale metabolomics study to harness chemical diversity and explore biochemical mechanisms in ryegrass. PMID:30854479
Metabolomic Insights into Human Arboviral Infections: Dengue, Chikungunya, and Zika Viruses. PMID:30845653
Effects of 2,4-Dichlorophenoxyacetic Acid on Cucumber Fruit Development and Metabolism. PMID:30841619
Nitrogen deprivation in Fusarium oxysporum promotes mycotoxin production via intermediates in the Krebs cycle and unreported methylmalonyl-CoA mutase activity. PMID:30830469
Optimized GC-MS metabolomics for the analysis of kidney tissue metabolites. PMID:30830353
Identification of bioactive metabolites using activity metabolomics. PMID:30814649
The growing role of precision and personalized medicine for cancer treatment. PMID:30713991
Comparative Metabolic Profiling of Grape Skin Tissue along Grapevine Berry Developmental Stages Reveals Systematic Influences of Root Restriction on Skin Metabolome. PMID:30695987
mzTab-M: A Data Standard for Sharing Quantitative Results in Mass Spectrometry Metabolomics. PMID:30688441
Continuum of Host-Gut Microbial Co-metabolism: Host CYP3A4/3A7 are Responsible for Tertiary Oxidations of Deoxycholate Species. PMID:30606729
Annotating Nontargeted LC-HRMS/MS Data with Two Complementary Tandem Mass Spectral Libraries. PMID:30583579
Multi-tissue integration of transcriptomic and specialized metabolite profiling provides tools for assessing the common bean (Phaseolus vulgaris) metabolome. PMID:30480348
Aspidosperma pyrifolium, a medicinal plant from the Brazilian caatinga, displays a high antiplasmodial activity and low cytotoxicity. PMID:30477525
ConfeitoGUI: A toolkit for size-sensitive community detection from a correlation network. PMID:30352084
Evaluation of an Artificial Neural Network Retention Index Model for Chemical Structure Identification in Nontargeted Metabolomics. PMID:30350614
Dereplication of microbial metabolites through database search of mass spectra. PMID:30279420
Metabolomics of Two Pecan Varieties Provides Insights into Scab Resistance. PMID:30249055
Mind the Gap: Mapping Mass Spectral Databases in Genome-Scale Metabolic Networks Reveals Poorly Covered Areas. PMID:30223552
Chemical Characterization of Opuntia ficus-indica (L.) Mill. Hydroalcoholic Extract and Its Efficiency against Gastrointestinal Nematodes of Sheep. PMID:30213060
Virucidal and Synergistic Activity of Polyphenol-Rich Extracts of Seaweeds against Measles Virus. PMID:30200234
"MS-Ready" structures for non-targeted high-resolution mass spectrometry screening studies. PMID:30167882
MS-based lipidomics of human blood plasma: a community-initiated position paper to develop accepted guidelines. PMID:30115755
Who will win where and why? An ecophysiological dissection of the competition between a tropical pasture grass and the invasive weed Bracken over an elevation range of 1000 m in the tropical Andes. PMID:30102718
Assessing the Antioxidant Properties of Larrea tridentata Extract as a Potential Molecular Therapy against Oxidative Stress. PMID:30041415
Insights into Tissue-specific Specialized Metabolism in Tieguanyin Tea Cultivar by Untargeted Metabolomics. PMID:30037120
Selected Enzyme Inhibitory Effects of Euphorbia characias Extracts. PMID:30003087
SIMPLE: Sparse Interaction Model over Peaks of moLEcules for fast, interpretable metabolite identification from tandem mass spectra. PMID:29950009
Bayesian networks for mass spectrometric metabolite identification via molecular fingerprints. PMID:29949965
Physicochemical Prediction of Metabolite Fragmentation in Tandem Mass Spectrometry. PMID:29922568
Analysis of human C24 bile acids metabolome in serum and urine based on enzyme digestion of conjugated bile acids and LC-MS determination of unconjugated bile acids. PMID:29907951
High-resolution gas chromatography/mass spectrometry metabolomics of non-human primate serum. PMID:29874398
Global untargeted serum metabolomic analyses nominate metabolic pathways responsive to loss of expression of the orphan metallo β-lactamase, MBLAC1. PMID:29868674
Hindering the formation and promoting the dispersion of medical biofilms: non-lethal effects of seagrass extracts. PMID:29843708
Burkholderia bacteria use chemotaxis to find social amoeba Dictyostelium discoideum hosts. PMID:29795447
Concepts and Methods to Access Novel Antibiotics from Actinomycetes. PMID:29789481
Software Tools and Approaches for Compound Identification of LC-MS/MS Data in Metabolomics. PMID:29748461
The role of the Human Metabolome Database in inborn errors of metabolism. PMID:29663269
Promises and pitfalls of untargeted metabolomics. PMID:29536203
A comparison of three liquid chromatography (LC) retention time prediction models. PMID:29501166
When Transcriptomics and Metabolomics Work Hand in Hand: A Case Study Characterizing Plant CDF Transcription Factors. PMID:29495643
Prospects for Fungal Bioremediation of Acidic Radioactive Waste Sites: Characterization and Genome Sequence of Rhodotorula taiwanensis MD1149. PMID:29375494
Metabolite Profiling of 14 Wuyi Rock Tea Cultivars Using UPLC-QTOF MS and UPLC-QqQ MS Combined with Chemometrics. PMID:29364152
Sansoninto, a traditional herbal medicine, ameliorates behavioral abnormalities and down-regulation of early growth response-1 expression in mice exposed to social isolation stress. PMID:29321993
Construction of Viable Soil Defined Media Using Quantitative Metabolomics Analysis of Soil Metabolites. PMID:29312276
Oxidation of the FAD cofactor to the 8-formyl-derivative in human electron-transferring flavoprotein. PMID:29301933
Identification of Conserved and Diverse Metabolic Shift of the Stylar, Intermediate and Peduncular Segments of Cucumber Fruit during Development. PMID:29301359
Rapid Screening of Chemical Constituents in Rhizoma Anemarrhenae by UPLC-Q-TOF/MS Combined with Data Postprocessing Techniques. PMID:29234389
Strategies for dereplication of natural compounds using high-resolution tandem mass spectrometry. PMID:29225718
Blood serum metabolome of atopic dermatitis: Altered energy cycle and the markers of systemic inflammation. PMID:29176763
Chemometric and high-resolution mass spectrometry tools for the characterization and comparison of raw and treated wastewater samples of a pilot plant on the SIPIBEL site. PMID:29170926
HMDB 4.0: the human metabolome database for 2018. PMID:29140435
Significance estimation for large scale metabolomics annotations by spectral matching. PMID:29133785
LPPtiger software for lipidome-specific prediction and identification of oxidized phospholipids from LC-MS datasets. PMID:29123162
A tutorial in small molecule identification via electrospray ionization-mass spectrometry: The practical art of structural elucidation. PMID:29120505
Critical Assessment of Small Molecule Identification 2016: automated methods. PMID:29086042
Comprehensive comparison of in silico MS/MS fragmentation tools of the CASMI contest: database boosting is needed to achieve 93% accuracy. PMID:29086039
Metabolic Signatures in Response to Abscisic Acid (ABA) Treatment in Brassica napus Guard Cells Revealed by Metabolomics. PMID:28993661
MetaComp: comprehensive analysis software for comparative meta-omics including comparative metagenomics. PMID:28969605
Similarity of High-Resolution Tandem Mass Spectrometry Spectra of Structurally Related Micropollutants and Transformation Products. PMID:28952028
Large-scale Metabolomic Analysis Reveals Potential Biomarkers for Early Stage Coronary Atherosclerosis. PMID:28924163
Navigating freely-available software tools for metabolomics analysis. PMID:28890673
Identification of 2-hydroxyisocaproic acid production in lactic acid bacteria and evaluation of microbial dynamics during kimchi ripening. PMID:28883404
Using Accurate Mass Gas Chromatography-Mass Spectrometry with the MINE Database for Epimetabolite Annotation. PMID:28876899
Degradation of phenylethanoid glycosides in Osmanthus fragrans Lour. flowers and its effect on anti-hypoxia activity. PMID:28855701
Early gestational maternal low-protein diet diminishes hepatic response to fasting in young adult male mice. PMID:28852200
Benzo[a]pyrene-induced metabolic shift from glycolysis to pentose phosphate pathway in the human bladder cancer cell line RT4. PMID:28851999
A metabolomics guided exploration of marine natural product chemical space. PMID:28819353
Metabolomics of biomarker discovery in ovarian cancer: a systematic review of the current literature. PMID:28819352
NuBBEDB: an updated database to uncover chemical and biological information from Brazilian biodiversity. PMID:28775335
The metabolic analysis of psoriasis identifies the associated metabolites while providing computational models for the monitoring of the disease. PMID:28695330
Application of metabolomics in sarcoma: From biomarkers to therapeutic targets. PMID:28693790
Enriching plausible new hypothesis generation in PubMed. PMID:28678852
Screening Specific Biomarkers of Herbs Using a Metabolomics Approach: A Case Study of Panax ginseng. PMID:28676690
Unsupervised Discovery and Comparison of Structural Families Across Multiple Samples in Untargeted Metabolomics. PMID:28621528
Unique identifiers for small molecules enable rigorous labeling of their atoms. PMID:28534867
From chromatogram to analyte to metabolite. How to pick horses for courses from the massive web resources for mass spectral plant metabolomics. PMID:28520864
Digitizing mass spectrometry data to explore the chemical diversity and distribution of marine cyanobacteria and algae. PMID:28492366
FlavonoidSearch: A system for comprehensive flavonoid annotation by mass spectrometry. PMID:28455528
Identification of small molecules using accurate mass MS/MS search. PMID:28436590
Mass Spectrometry Based Molecular 3D-Cartography of Plant Metabolites. PMID:28405197
Characterizing the lipid and metabolite changes associated with placental function and pregnancy complications using ion mobility spectrometry-mass spectrometry and mass spectrometry imaging. PMID:28392013
Gas Chromatography/Mass Spectrometry Metabolomics of Urine and Serum from Nonhuman Primates Exposed to Ionizing Radiation: Impacts on the Tricarboxylic Acid Cycle and Protein Metabolism. PMID:28351153
metaX: a flexible and comprehensive software for processing metabolomics data. PMID:28327092
Comprehensive identification of sphingolipid species by in silico retention time and tandem mass spectral library. PMID:28316657
LipidFrag: Improving reliability of in silico fragmentation of lipids and application to the Caenorhabditis elegans lipidome. PMID:28278196
compMS2Miner: An Automatable Metabolite Identification, Visualization, and Data-Sharing R Package for High-Resolution LC-MS Data Sets. PMID:28225587
A Comprehensive Analysis of Metabolomics and Transcriptomics in Cervical Cancer. PMID:28225065
Metabolomics: A Primer. PMID:28196646
Comprehensive and accurate tracking of carbon origin of LC-tandem mass spectrometry collisional fragments for 13C-MFA. PMID:28116490
Ultra high performance liquid chromatography-high resolution mass spectrometry plasma lipidomics can distinguish between canine breeds despite uncontrolled environmental variability and non-standardized diets. PMID:28111530
Global open data management in metabolomics. PMID:28092796
A disrupted transsulphuration pathway results in accumulation of redox metabolites and induction of gametocytogenesis in malaria. PMID:28091526
Annona glabra Flavonoids Act As Antimicrobials by Binding to Pseudomonas aeruginosa Cell Walls. PMID:28066374
Metabolic consequences of inflammatory disruption of the blood-brain barrier in an organ-on-chip model of the human neurovascular unit. PMID:27955696
Integrating ion mobility spectrometry into mass spectrometry-based exposome measurements: what can it add and how far can it go? PMID:27921453
Technical Challenges in Mass Spectrometry-Based Metabolomics. PMID:27900235
YMDB 2.0: a significantly expanded version of the yeast metabolome database. PMID:27899612
Integrative Approaches for the Identification and Localization of Specialized Metabolites in Tripterygium Roots. PMID:27864443
Topic modeling for untargeted substructure exploration in metabolomics. PMID:27856765
Lifestyle chemistries from phones for individual profiling. PMID:27849584
Structural Characterization of Flavonoid Glycoconjugates and Their Derivatives with Mass Spectrometric Techniques. PMID:27834838
SPLASH, a hashed identifier for mass spectra. PMID:27824832
Illuminating a plant's tissue-specific metabolic diversity using computational metabolomics and information theory. PMID:27821729
Loss-of-function screens of druggable targetome against cancer stem-like cells. PMID:27811063
Mass spectrometric strategies for the investigation of biomarkers of illicit drug use in wastewater. PMID:27750373
Mass Spectrometry-Based Visualization of Molecules Associated with Human Habitats. PMID:27732780
Computational Metabolomics: A Framework for the Million Metabolome. PMID:27629808
Untargeted Metabolomics Strategies-Challenges and Emerging Directions. PMID:27624161
NAD Acts as an Integral Regulator of Multiple Defense Layers. PMID:27621425
Metabolomic profiling of brain from infants who died from Sudden Infant Death Syndrome reveals novel predictive biomarkers. PMID:27608295
Comparative mass spectrometry-based metabolomics strategies for the investigation of microbial secondary metabolites. PMID:27604382
A validated metabolomic signature for colorectal cancer: exploration of the clinical value of metabolomics. PMID:27560555
Sharing and community curation of mass spectrometry data with Global Natural Products Social Molecular Networking. PMID:27504778
Pilot Metabolome-Wide Association Study of Benzo(a)pyrene in Serum From Military Personnel. PMID:27501104
Urinary antihypertensive drug metabolite screening using molecular networking coupled to high-resolution mass spectrometry fragmentation. PMID:27471437
Hydrogen Rearrangement Rules: Computational MS/MS Fragmentation and Structure Elucidation Using MS-FINDER Software. PMID:27419259
Protonation Sites, Tandem Mass Spectrometry and Computational Calculations of o-Carbonyl Carbazolequinone Derivatives. PMID:27399676
Metabolite profiling of Dioscorea (yam) species reveals underutilised biodiversity and renewable sources for high-value compounds. PMID:27385275
Biological Activities of Aerial Parts Extracts of Euphorbia characias. PMID:27314007
Fast metabolite identification with Input Output Kernel Regression. PMID:27307628
A metabolomics cell-based approach for anticipating and investigating drug-induced liver injury. PMID:27265840
Development of Database Assisted Structure Identification (DASI) Methods for Nontargeted Metabolomics. PMID:27258318
Mathematical Modeling and Dynamic Simulation of Metabolic Reaction Systems Using Metabolome Time Series Data. PMID:27200361
Metagenomics, Metatranscriptomics, and Metabolomics Approaches for Microbiome Analysis. PMID:27199545
The impact of plant chemical diversity on plant-herbivore interactions at the community level. PMID:27129320
Advantages and Pitfalls of Mass Spectrometry Based Metabolome Profiling in Systems Biology. PMID:27128910
Characterisation of the main drivers of intra- and inter- breed variability in the plasma metabolome of dogs. PMID:27065761
Metabolomics by Gas Chromatography-Mass Spectrometry: Combined Targeted and Untargeted Profiling. PMID:27038389
Antifungal activity of extracts from Atacama Desert fungi against Paracoccidioides brasiliensis and identification of Aspergillus felis as a promising source of natural bioactive compounds. PMID:27008375
Drought and Recovery: Independently Regulated Processes Highlighting the Importance of Protein Turnover Dynamics and Translational Regulation in Medicago truncatula. PMID:27001437
Metabolomics: beyond biomarkers and towards mechanisms. PMID:26979502
Cancer Metabolomics and the Human Metabolome Database. PMID:26950159
Metabolomics in rheumatic diseases: desperately seeking biomarkers. PMID:26935283
Unbiased profiling of volatile organic compounds in the headspace of Allium plants using an in-tube extraction device. PMID:26928722
A Computational Solution to Automatically Map Metabolite Libraries in the Context of Genome Scale Metabolic Networks. PMID:26909353
Identification of Conserved and Diverse Metabolic Shifts during Rice Grain Development. PMID:26860358
Spore Density Determines Infection Strategy by the Plant Pathogenic Fungus Plectosphaerella cucumerina. PMID:26842622
Fragmentation trees reloaded. PMID:26839597
MetFrag relaunched: incorporating strategies beyond in silico fragmentation. PMID:26834843
Recent Advance in Liquid Chromatography/Mass Spectrometry Techniques for Environmental Analysis in Japan. PMID:26819891
Winners of CASMI2013: Automated Tools and Challenge Data. PMID:26819882
Rethinking Mass Spectrometry-Based Small Molecule Identification Strategies in Metabolomics. PMID:26819881
Solving CASMI 2013 with MetFrag, MetFusion and MOLGEN-MS/MS. PMID:26819879
Ultrafast Polyphenol Metabolomics of Red Wines Using MicroLC-MS/MS. PMID:26698107
An evolving computational platform for biological mass spectrometry: workflows, statistics and data mining with MASSyPup64. PMID:26618079
Data standards can boost metabolomics research, and if there is a will, there is a way. PMID:26612985
ATP-binding Cassette Subfamily C Member 5 (ABCC5) Functions as an Efflux Transporter of Glutamate Conjugates and Analogs. PMID:26515061
Self-establishing communities enable cooperative metabolite exchange in a eukaryote. PMID:26499891
Dereplication, sequencing and identification of peptidic natural products: from genome mining to peptidogenomics to spectral networks. PMID:26497201
New In Vitro Studies on the Bioprofile of Genista tenera Antihyperglycemic Extract. PMID:26493049
ECMDB 2.0: A richer resource for understanding the biochemistry of E. coli. PMID:26481353
ChEBI in 2016: Improved services and an expanding collection of metabolites. PMID:26467479
Metabolomics Workbench: An international repository for metabolomics data and metadata, metabolite standards, protocols, tutorials and training, and analysis tools. PMID:26467476
Transgenic rice seed expressing flavonoid biosynthetic genes accumulate glycosylated and/or acylated flavonoids in protein bodies. PMID:26438413
Searching molecular structure databases with tandem mass spectra using CSI:FingerID. PMID:26392543
Exometabolite niche partitioning among sympatric soil bacteria. PMID:26392107
Serially coupling hydrophobic interaction and reversed-phase chromatography with simultaneous gradients provides greater coverage of the metabolome. PMID:26366140
MINEs: open access databases of computationally predicted enzyme promiscuity products for untargeted metabolomics. PMID:26322134
Metabolic footprint of epiphytic bacteria on Arabidopsis thaliana leaves. PMID:26305156
Exometabolom analysis of breast cancer cell lines: Metabolic signature. PMID:26293811
Analysis of Metabolomics Datasets with High-Performance Computing and Metabolite Atlases. PMID:26287255
Flavonoids and Auxin Transport Inhibitors Rescue Symbiotic Nodulation in the Medicago truncatula Cytokinin Perception Mutant cre1. PMID:26253705
Using fragmentation trees and mass spectral trees for identifying unknown compounds in metabolomics. PMID:26213431
Navigating natural variation in herbivory-induced secondary metabolism in coyote tobacco populations using MS/MS structural analysis. PMID:26170304
Metabolomic profiling of Burkholderia pseudomallei using UHPLC-ESI-Q-TOF-MS reveals specific biomarkers including 4-methyl-5-thiazoleethanol and unique thiamine degradation pathway. PMID:26097677
Cyclic Rhamnosylated Elongation Factor P Establishes Antibiotic Resistance in Pseudomonas aeruginosa. PMID:26060278
Nephron Toxicity Profiling via Untargeted Metabolome Analysis Employing a High Performance Liquid Chromatography-Mass Spectrometry-based Experimental and Computational Pipeline. PMID:26055719
Defining the metabolome: size, flux, and regulation. PMID:26000853
Mass spectrometry tools and workflows for revealing microbial chemistry. PMID:25996313
SpeckTackle: JavaScript charts for spectroscopy. PMID:25984241
Application of metabolomics in thyroid cancer research. PMID:25972898
Correction of precursor and product ion relative abundances in order to standardize CID spectra and improve Ecom50 accuracy for non-targeted metabolomics. PMID:25960696
MS-DIAL: data-independent MS/MS deconvolution for comprehensive metabolome analysis. PMID:25938372
Metabolonote: a wiki-based database for managing hierarchical metadata of metabolome analyses. PMID:25905099
Mass spectral similarity for untargeted metabolomics data analysis of complex mixtures. PMID:25844058
Molecular cartography of the human skin surface in 3D. PMID:25825778
Enhanced acylcarnitine annotation in high-resolution mass spectrometry data: fragmentation analysis for the classification and annotation of acylcarnitines. PMID:25806366
Analytical methods in untargeted metabolomics: state of the art in 2015. PMID:25798438
Open-access metabolomics databases for natural product research: present capabilities and future potential. PMID:25789275
The importance of mass spectrometric dereplication in fungal secondary metabolite analysis. PMID:25741325
Metabolomics and diabetes: analytical and computational approaches. PMID:25713200
Analysis of phenolic and cyclic compounds in plants using derivatization techniques in combination with GC-MS-based metabolite profiling. PMID:25690297
Next-generation technologies for multiomics approaches including interactome sequencing. PMID:25649523
Chemometric evaluation of Saccharomyces cerevisiae metabolic profiles using LC-MS. PMID:25598766
MetaDB a Data Processing Workflow in Untargeted MS-Based Metabolomics Experiments. PMID:25566535
NMR spectroscopic search module for Spektraris, an online resource for plant natural product identification--Taxane diterpenoids from Taxus × media cell suspension cultures as a case study. PMID:25534952
Autonomous metabolomics for rapid metabolite identification in global profiling. PMID:25496351
Ion mobility-derived collision cross section as an additional measure for lipid fingerprinting and identification. PMID:25495617
ALLocator: an interactive web platform for the analysis of metabolomic LC-ESI-MS datasets, enabling semi-automated, user-revised compound annotation and mass isotopomer ratio analysis. PMID:25426929
Dose-dependent metabolic alterations in human cells exposed to gamma irradiation. PMID:25419661
Towards automated discrimination of lipids versus peptides from full scan mass spectra. PMID:25414814
Bioinformatics: the next frontier of metabolomics. PMID:25389922
Metabolomics as a tool for discovery of biomarkers of autism spectrum disorder in the blood plasma of children. PMID:25380056
Correlation analysis of proteins responsive to Zn, Mn, or Fe deficiency in Arabidopsis roots based on iTRAQ analysis. PMID:25366567
A Sinorhizobium meliloti-specific N-acyl homoserine lactone quorum-sensing signal increases nodule numbers in Medicago truncatula independent of autoregulation. PMID:25352858
LipidBlast templates as flexible tools for creating new in-silico tandem mass spectral libraries. PMID:25340521
Metabolome-genome-wide association study dissects genetic architecture for generating natural variation in rice secondary metabolism. PMID:25267402
MS2Analyzer: A software for small molecule substructure annotations from accurate tandem mass spectra. PMID:25263576
Unraveling biochemical pathways affected by mitochondrial dysfunctions using metabolomic approaches. PMID:25257998
Novel strategy for non-targeted isotope-assisted metabolomics by means of metabolic turnover and multivariate analysis. PMID:25257997
Identification of low-dose responsive metabolites in X-irradiated human B lymphoblastoid cells and fibroblasts. PMID:25227127
Cancer/stroma interplay via cyclooxygenase-2 and indoleamine 2,3-dioxygenase promotes breast cancer progression. PMID:25060643
Metabolome analysis of Arabidopsis thaliana roots identifies a key metabolic pathway for iron acquisition. PMID:25058345
Toward better annotation in plant metabolomics: isolation and structure elucidation of 36 specialized metabolites from Oryza sativa (rice) by using MS/MS and NMR analyses. PMID:25057267
Evaluating plant immunity using mass spectrometry-based metabolomics workflows. PMID:25009545
Metabolomics for biomarker discovery in gastroenterological cancer. PMID:25003943
Automated LC-HRMS(/MS) approach for the annotation of fragment ions derived from stable isotope labeling-assisted untargeted metabolomics. PMID:24965664
Computational analyses of spectral trees from electrospray multi-stage mass spectrometry to aid metabolite identification. PMID:24958264
Tackling CASMI 2012: Solutions from MetFrag and MetFusion. PMID:24958142
The Critical Assessment of Small Molecule Identification (CASMI): Challenges and Solutions. PMID:24958137
Metabolite Identification through Machine Learning- Tackling CASMI Challenge Using FingerID. PMID:24958002
CASMI: And the Winner is . . PMID:24957999
CASMI-The Small Molecule Identification Process from a Birmingham Perspective. PMID:24957998
Applying Tandem Mass Spectral Libraries for Solving the Critical Assessment of Small Molecule Identification (CASMI) LC/MS Challenge 2012. PMID:24957994
MALDI Mass Spectrometry Imaging for Visualizing In Situ Metabolism of Endogenous Metabolites and Dietary Phytochemicals. PMID:24957029
Accurate dereplication of bioactive secondary metabolites from marine-derived fungi by UHPLC-DAD-QTOFMS and a MS/HRMS library. PMID:24955556
Post-acquisition data processing for the screening of transformation products of different organic contaminants. Two-year monitoring of river water using LC-ESI-QTOF-MS and GCxGC-EI-TOF-MS. PMID:24952251
Tools and databases of the KOMICS web portal for preprocessing, mining, and dissemination of metabolomics data. PMID:24949426
Metabolite identification through multiple kernel learning on fragmentation trees. PMID:24931979
MetAssign: probabilistic annotation of metabolites from LC-MS data using a Bayesian clustering approach. PMID:24916385
CFM-ID: a web server for annotation, spectrum prediction and metabolite identification from tandem mass spectra. PMID:24895432
After the feature presentation: technologies bridging untargeted metabolomics and biology. PMID:24816495
Integrating omics technologies to study pulmonary physiology and pathology at the systems level. PMID:24802001
Mass spectrometry of natural products: current, emerging and future technologies. PMID:24801551
Spectral deconvolution for gas chromatography mass spectrometry-based metabolomics: current status and future perspectives. PMID:24688694
Targeted, LCMS-based Metabolomics for Quantitative Measurement of NAD(+) Metabolites. PMID:24688693
Integrated LC-MS/MS system for plant metabolomics. PMID:24688692
Data Mining Methods for Omics and Knowledge of Crude Medicinal Plants toward Big Data Biology. PMID:24688691
Untargeted metabolomics: an emerging approach to determine the composition of herbal products. PMID:24688688
Systematic structural characterization of metabolites in Arabidopsis via candidate substrate-product pair networks. PMID:24685999
Compound identification in GC-MS by simultaneously evaluating the mass spectrum and retention index. PMID:24665464
The intestinal metabolome: an intersection between microbiota and host. PMID:24631493
Discrimination of conventional and organic white cabbage from a long-term field trial study using untargeted LC-MS-based metabolomics. PMID:24618989
Triacylglyceride production and autophagous responses in Chlamydomonas reinhardtii depend on resource allocation and carbon source. PMID:24413660
Development and quantitative evaluation of a high-resolution metabolomics technology. PMID:24410464
HAMMER: automated operation of mass frontier to construct in silico mass spectral fragmentation libraries. PMID:24336413
CellFinder: a cell data repository. PMID:24304896
Metabolomics as a diagnostic tool in gastroenterology. PMID:24199025
A bacterial quercetin oxidoreductase QuoA-mediated perturbation in the phenylpropanoid metabolic network increases lignification with a concomitant decrease in phenolamides in Arabidopsis. PMID:24085580
Functional genomics of novel secondary metabolites from diverse cyanobacteria using untargeted metabolomics. PMID:24084783
Molecular networking as a dereplication strategy. PMID:24025162
Microscopy ambient ionization top-down mass spectrometry reveals developmental patterning. PMID:23969833
Bacopa monnieri ameliorates memory deficits in olfactory bulbectomized mice: possible involvement of glutamatergic and cholinergic systems. PMID:23949198
Silicon era of carbon-based life: application of genomics and bioinformatics in crop stress research. PMID:23759993
Phytochemical composition of Potentilla anserina L. analyzed by an integrative GC-MS and LC-MS metabolomics platform. PMID:23678344
Accurate mass-time tag library for LC/MS-based metabolite profiling of medicinal plants. PMID:23597491
Recent progress in the development of metabolome databases for plant systems biology. PMID:23577015
Ameliorative Effects of Acanthopanax trifoliatus on Cognitive and Emotional Deficits in Olfactory Bulbectomized Mice: An Animal Model of Depression and Cognitive Deficits. PMID:23573147
Bioanalysis of eukaryotic organelles. PMID:23570618
Large scale non-targeted metabolomic profiling of serum by ultra performance liquid chromatography-mass spectrometry (UPLC-MS). PMID:23524330
Leveraging non-targeted metabolite profiling via statistical genomics. PMID:23469044
Computational mass spectrometry for small molecules. PMID:23453222
Mass spectrometry of structurally modified DNA. PMID:23441727
The (un)certainty of selectivity in liquid chromatography tandem mass spectrometry. PMID:23345060
Prioritization of putative metabolite identifications in LC-MS/MS experiments using a computational pipeline. PMID:23307777
Metabolomic analysis of dynamic response and drug resistance of gastric cancer cells to 5-fluorouracil. PMID:23232983
Biological databases for behavioral neurobiology. PMID:23195119
HMDB 3.0--The Human Metabolome Database in 2013. PMID:23161693
ECMDB: the E. coli Metabolome Database. PMID:23109553
Mining the unknown: a systems approach to metabolite identification combining genetic and metabolic information. PMID:23093944
Chotosan ameliorates cognitive and emotional deficits in an animal model of type 2 diabetes: possible involvement of cholinergic and VEGF/PDGF mechanisms in the brain. PMID:23082896
Molecular analysis of model gut microbiotas by imaging mass spectrometry and nanodesorption electrospray ionization reveals dietary metabolite transformations. PMID:23009651
Upregulation of the phthiocerol dimycocerosate biosynthetic pathway by rifampin-resistant, rpoB mutant Mycobacterium tuberculosis. PMID:23002228
Online tools for bioinformatics analyses in nutrition sciences. PMID:22983844
An accelerated workflow for untargeted metabolomics using the METLIN database. PMID:22965049
Utility of metabolomics toward assessing the metabolic basis of quality traits in apple fruit with an emphasis on antioxidants. PMID:22881116
Ultra high-performance liquid chromatography with high-resolution mass spectrometry analysis of African mango (Irvingia gabonensis) seeds, extract, and related dietary supplements. PMID:22880691
MetiTree: a web application to organize and process high-resolution multi-stage mass spectrometry metabolomics data. PMID:22851531
Primer on agar-based microbial imaging mass spectrometry. PMID:22821974
A large scale test dataset to determine optimal retention index threshold based on three mass spectral similarity measures. PMID:22771253
Mass spectrometry-based metabolomics to elucidate functions in marine organisms and ecosystems. PMID:22690147
Fast alignment of fragmentation trees. PMID:22689771
PyMS: a Python toolkit for processing of gas chromatography-mass spectrometry (GC-MS) data. Application and comparative study of selected tools. PMID:22647087
Mass spectra-based framework for automated structural elucidation of metabolome data to explore phytochemical diversity. PMID:22645535
From models to crop species: caveats and solutions for translational metabolomics. PMID:22639601
Qualitative analysis of algal secretions with multiple mass spectrometric platforms. PMID:22608776
Mass spectral molecular networking of living microbial colonies. PMID:22586093
Bioinformatics Tools for Mass Spectroscopy-Based Metabolomic Data Processing and Analysis. PMID:22438836
Revisiting the reactivity of uracil during collision induced dissociation: tautomerism and charge-directed processes. PMID:22351291
Metabolite identification and quantitation in LC-MS/MS-based metabolomics. PMID:22345829
A method of finding optimal weight factors for compound identification in gas chromatography-mass spectrometry. PMID:22333245
In-silico studies in Chinese herbal medicines' research: evaluation of in-silico methodologies and phytochemical data sources, and a review of research to date. PMID:22326356
Model-based peak alignment of metabolomic profiling from comprehensive two-dimensional gas chromatography mass spectrometry. PMID:22316124
Recent advances of metabolomics in plant biotechnology. PMID:22308170
Targeted data extraction of the MS/MS spectra generated by data-independent acquisition: a new concept for consistent and accurate proteome analysis. PMID:22261725
Mass spectrometric dereplication of nitrogen-containing constituents of black cohosh (Cimicifuga racemosa L.). PMID:22178683
Variability of non-polar secondary metabolites in the red alga Portieria. PMID:22163195
MMMDB: Mouse Multiple Tissue Metabolome Database. PMID:22139941
YMDB: the Yeast Metabolome Database. PMID:22064855
LC-MS-based metabolomics. PMID:22041788
Toward the storage metabolome: profiling the barley vacuole. PMID:21949213
Chotosan (Diaoteng San)-induced improvement of cognitive deficits in senescence-accelerated mouse (SAMP8) involves the amelioration of angiogenic/neurotrophic factors and neuroplasticity systems in the brain. PMID:21943225
Differential radial capillary action of ligand assay for high-throughput detection of protein-metabolite interactions. PMID:21876132
Applying in-silico retention index and mass spectra matching for identification of unknown metabolites in accurate mass GC-TOF mass spectrometry. PMID:21678983
ARISTO: ontological classification of small molecules by electron ionization-mass spectrometry. PMID:21622952
Extending biochemical databases by metabolomic surveys. PMID:21566124
GC/MS based metabolomics: development of a data mining system for metabolite identification by using soft independent modeling of class analogy (SIMCA). PMID:21542920
Advances in structure elucidation of small molecules using mass spectrometry. PMID:21289855
Metabolomic profiling for identification of novel potential biomarkers in cardiovascular diseases. PMID:21274272
metaXCMS: second-order analysis of untargeted metabolomics data. PMID:21174458 - http://dx.doi.org/10.1002/jms.1777
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mass spectrometry spectra
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mass spectrometry spectra
metasource: Fairsharing.orgversion: FAIRsharing.org: MassBank; MassBank Europe; DOI: https://doi.org/10.25504/FAIRsharing.dk451a; Last edited: April 26, 2021, 4:06 p.m.; Last accessed: Jan 03 2022 7:07 p.m.
metabolomics
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cellular process
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envirommental contaminants
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mass spectra
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spectral
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transformation products
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mass spectrometry spectra metabolomics bioinformatics cellular process chemical compounds envirommental contaminants mass mass spectra natural compounds spectral spectroscopy transformation products
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