Provides access to metabolite information and tandem mass spectrometry data. METLIN is a metabolite database for metabolomics containing over 64,000 structures. It also contains a data management system designed to assist in metabolite researching by providing public access to its repository of current and comprehensive MS/MS metabolite data. An annotated list of known metabolites and their mass, chemical formula, and structure are available on the METLIN website.
Gathers information related with mass spectrometry. NIST Tandem Mass Spectral Library is a repository which consists of four mass spectral libraries coupled to a library of retention index (RI)/GC Method. The database provides data about 13 000 compounds, 570 000 tandem spectra as well as more than 118 000 precursor ions and supplies functionalities to index old libraries or to perform advanced searches by HiRes MS/MS or by InChIKeys.
Contains metabolome and proteome data in plasma obtained from 5,093 healthy volunteers in a Japanese population. jMorp delivers minimized biases due the utilization of a single protocol in a single institute, the Tohoku Medical Megabank Cohort Study. It offers a graphical viewer that allows to display correlations between metabolites. This database is built using large-scale cohort data for healthy volunteers with various health records and genome data, and provides significant genome wide association study (GWAS) results.
Combines quantitative chemical, physical, clinical and biological data about thousands of endogenous human metabolites. HMDB is a multi-purpose database with a strong focus on quantitative, analytic or molecular-scale information about metabolites, their associated enzymes or transporters and their disease-related properties. This online resource is designed to contain or link three kinds of data: (i) chemical data, (ii) clinical data and (iii) molecular biology/biochemistry data.
A collection of literature and in-house MSn spectra data for research on plant metabolomics. As a main web application of ReSpect, a fragment search was established based on only the m/z values of query data and records. The confidence levels of the annotations were managed using the MS/MS fragmentation association rule, which is an algorithm for discovering common fragmentations in MS/MS data.
Compiles metabolite annotations. KomicMarket is a database of annotations of metabolite peaks that were detected by mass spectrometers (MSs) in metabolomics studies. Data were obtained with high-resolution MSs connected to liquid chromatography. Based on comprehensive characterization of tomato fruit metabolites, this resource identifies chemical building blocks that appear frequently in the tomato fruit tissues.