Mass spectral databases for LC/MS- and GC/MS-based metabolomics: State of the field and future prospects (Q27818910)

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

Advances in metabolite identification

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

Proposed minimum reporting standards for chemical analysis

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

Computational Strategies for Metabolite Identification in Metabolomics

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

Metabolite identification: are you sure? And how do your peers gauge your confidence?

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

Proposed quantitative and alphanumeric metabolite identification metrics

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

Embedding standards in metabolomics: the Metabolomics Society data standards task group

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

Proposed minimum reporting standards for data analysis in metabolomics

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

Mass appeal: metabolite identification in mass spectrometry-focused untargeted metabolomics

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

Identification of a new endogenous metabolite and the characterization of its protein interactions through an immobilization approach

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

Gut flora metabolism of phosphatidylcholine promotes cardiovascular disease

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

How Large Is the Metabolome? A Critical Analysis of Data Exchange Practices in Chemistry

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

Metabolite identification and molecular fingerprint prediction through machine learning.

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

MetFusion: integration of compound identification strategies

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

MyCompoundID: using an evidence-based metabolome library for metabolite identification

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

CFM-ID: a web server for annotation, spectrum prediction and metabolite identification from tandem mass spectra

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

Competitive fragmentation modeling of ESI-MS/MS spectra for putative metabolite identification

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

Substructure-based annotation of high-resolution multistage MS(n) spectral trees

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

Automatic chemical structure annotation of an LC-MS(n) based metabolic profile from green tea.

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

Towards first principles calculation of electron impact mass spectra of molecules

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

Extending biochemical databases by metabolomic surveys

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

KEGG: Kyoto Encyclopedia of Genes and Genomes

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

WikiPathways: building research communities on biological pathways

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

Expansion of the BioCyc collection of pathway/genome databases to 160 genomes

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

PubChem: a public information system for analyzing bioactivities of small molecules

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

ChemSpider: An Online Chemical Information Resource

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

Liquid chromatography quadrupole time-of-flight mass spectrometry characterization of metabolites guided by the METLIN database

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

MassBank: a public repository for sharing mass spectral data for life sciences

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

GMD@CSB.DB: the Golm Metabolome Database

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

Metabolomic analysis via reversed-phase ion-pairing liquid chromatography coupled to a stand alone orbitrap mass spectrometer

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

XCMS: processing mass spectrometry data for metabolite profiling using nonlinear peak alignment, matching, and identification

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

MetAlign: interface-driven, versatile metabolomics tool for hyphenated full-scan mass spectrometry data preprocessing

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

MZmine: toolbox for processing and visualization of mass spectrometry based molecular profile data

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

MZmine 2: modular framework for processing, visualizing, and analyzing mass spectrometry-based molecular profile data

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

A Guideline to Univariate Statistical Analysis for LC/MS-Based Untargeted Metabolomics-Derived Data

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

CAMERA: an integrated strategy for compound spectra extraction and annotation of liquid chromatography/mass spectrometry data sets

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

AStream: an R package for annotating LC/MS metabolomic data

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

Automated workflows for accurate mass-based putative metabolite identification in LC/MS-derived metabolomic datasets

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

Comprehensive foodomics study on the mechanisms operating at various molecular levels in cancer cells in response to individual rosemary polyphenols

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

CE/LC-MS multiplatform for broad metabolomic analysis of dietary polyphenols effect on colon cancer cells proliferation.

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

Global Foodomics strategy to investigate the health benefits of dietary constituents.

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

HMDB: the Human Metabolome Database

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

The SWISS-PROT protein knowledgebase and its supplement TrEMBL in 2003

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

Database resources in metabolomics: an overview

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

In silico fragmentation for computer assisted identification of metabolite mass spectra

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

mzML--a community standard for mass spectrometry data

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

METLIN: a metabolite mass spectral database

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

X-Rank: a robust algorithm for small molecule identification using tandem mass spectrometry

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

Automatic recalibration and processing of tandem mass spectra using formula annotation

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

LIPID MAPS online tools for lipid research

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

Lipid classification, structures and tools

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

LipidBlast in silico tandem mass spectrometry database for lipid identification

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

Quality control for building libraries from electrospray ionization tandem mass spectra

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

Mass spectral reference libraries: an ever-expanding resource for chemical identification

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

FiehnLib: Mass Spectral and Retention Index Libraries for Metabolomics Based on Quadrupole and Time-of-Flight Gas Chromatography/Mass Spectrometry

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

Development of a database of gas chromatographic retention properties of organic compounds

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

The Golm Metabolome Database: a database for GC-MS based metabolite profiling

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

Estimation of Kováts retention indices using group contributions

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

Chemical substructure identification by mass spectral library searching

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

Decision tree supported substructure prediction of metabolites from GC-MS profiles

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

The volatile compound BinBase mass spectral database

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

Mass spectrometry tools and metabolite-specific databases for molecular identification in metabolomics

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

The Chemical Translation Service--a web-based tool to improve standardization of metabolomic reports

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

Unknown identification using reference mass spectra. Quality evaluation of databases

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

On the inter-instrument and inter-laboratory transferability of a tandem mass spectral reference library: 1. Results of an Austrian multicenter study.

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

Optimization and testing of mass spectral library search algorithms for compound identification

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

Molecular networking and pattern-based genome mining improves discovery of biosynthetic gene clusters and their products from Salinispora species

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

The role of reporting standards for metabolite annotation and identification in metabolomic studies

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

isoMETLIN: a database for isotope-based metabolomics

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

Development of a GC/Quadrupole-Orbitrap mass spectrometer, part I: design and characterization

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

Development of a GC/Quadrupole-Orbitrap mass spectrometer, part II: new approaches for discovery metabolomics

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

Annotating unknown components from GC/EI-MS-based metabolite profiling experiments using GC/APCI(+)-QTOFMS

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

MaConDa: a publicly accessible mass spectrometry contaminants database

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

RIKEN tandem mass spectral database (ReSpect) for phytochemicals: A plant-specific MS/MS-based data resource and database

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.TRAC.2015.09.005

Extending biochemical databases by metabolomic surveys

7 January 2021

1 reference

COCI

https://opencitations.net/index/api/v1/references/10.1016/J.TRAC.2015.09.005

10.1016/J.TRAC.2015.09.005

15 September 2024

Identifiers

DOI

1 reference

Consolidated OpenCitations Corpus – April 2017

OpenCitations bibliographic resource ID

3530784

OpenCitations bibliographic resource ID

3530784

1 reference