lmdb

<p>LMDB database, included with permission from the DB creators.</p>

datasets

Provides parsing functionality for over 30 metabolomics databases, with most available without having to create an account on given websites.
Once parsed, calculates given adducts and isotope patterns and inserts into one big database which can be used to annotate unknown m/z values.
Furthermore, formulas can be predicted for a given m/z, and these can be matched to ChemSpider, PubChem, SUPERNATURAL II, KNApSAcK and ChemIDplus for further annotation.
Current databases available: HMDB, ChEBI, LMDB, BMDB, MCDB, ECMDB, Wikidata, mVOC, VMH, T3DB, Exposome Explorer, FooDB, MetaCyc (requires account), DrugBank (requires account), ReSPECT, MaConDa, Blood Exposome DB, KEGG, SMPDB, LIPID MAPS, MetaboLights, DimeDB, Phenol Explorer, MassBank, YMDB, PAMDB, ANPDB, Metabolomics Workbench, PharmGKB, Reactome, mVOC and STOFF.
Featured in the 'MetaboShiny' package (Wolthuis, J. (2019) <doi:10.1007/s11306-020-01717-8>).

Joanna Wolthuis

MetaDBparse

Annotate Mass over Charge Values with Databases and Formula
Prediction

lmdb function

<p>An object of class <code>data.table</code> (inherits from <code>data.frame</code>) with 1070 rows and 6 columns.</p>

lmdb: LMDB

Description

Usage

Arguments

Format