◆ MetWare DB - from Metware Biotechnology Co., Ltd.

　　◆ Metlin DB - from Scripps

　　◆ MassBank DB - from the Japanese metabolomics initiative

　　◆ MassFrontier - spectral tree MS/MS + CID collection

　　◆ HMDB - Human Metabolome DB with multiple search interfaces (adducts, accurate masses)

　　◆ MassBank - Large curated repository of MS1 and MS/MS spectra (ESI, MALDI, APCI)

　　◆ LipidBlast - the largest freely available in-silico MS/MS spectral database for lipid identification

　　◆ SetupX - LIMS system storing meta-data and annotated GC-MS results from Fiehn Laboratory

　　◆ Mass Spectrum Interpreter - a free tool from NIST for MS fragment annotation and the NIST MS Search

　　◆ NIST05, Wiley, Palisade electron impact mass spectral databases + retention indices (NIST05)

　　◆ SetupX - Open Repository of GC-MS experiments from Fiehnlab, annotated and assigned metabolomic profiling raw data from 1600 public GC-MS samples can be downloaded [content-1] [species]

　　◆ MassBase - Download for 2500 GC-MS samples and standards from KAZUSA

　　◆ NMR prediction - NMRPredict software from Modgraph

　　◆ NMRShiftDB - largest open NMR data spectral collection (25k experimental spectra)

　　◆ CSearchlite - free database of CNMR shift predictions (23 million unique structures from PubChem)

　　◆ MMCD - Madison Metabolomics Consortium Database (MMCD) - largest collection of experimental 1H, 13C and 2D NMR raw spectra

　　◆ PubChem - the most important small molecule database (compounds, substances, assays)

　　◆ Chemical Lookup Service - the largest collection (30 million) of small molecules

　　◆ KEGG database - the metabolite and pathway database

　　◆ Pathguide - pathway database collection

　　◆ Chemspider - search service for small molecules and property data (with programmers API)

　　◆ KNApSAcK - Species-Metabolite Relationship Database from NAIST (Kanaya Lab) and RIKEN