| Pubchem(https://pubchem.ncbi.nlm.nih.gov/) | MZcloud(https://www.mzcloud.org/) | MZmine2(http://mzmine.github.io/) | SIRIUS(CSI: FID，https://bio.informatik.uni-jena.de/software/sirius/) | |
| ChemSpider(http://www.chemspider.com/) | NIST(https://www.nist.gov/) | XCMS(http://bioconductor.org/packages/2.3/bioc/html/xcms.html) | CFM-ID(http://cfmid.wishartlab.com/) | |
| KEGG(https://www.genome.jp/kegg/pathway.html) | MassBank(https://massbank.eu/MassBank/Search) | EnviMass(https://www.envibee.ch/eng/enviMass/overview.htm) | Metfrag(https://msbi.ipb-halle.de/MetFrag/) | |
| ToxCast(https://comptox.epa.gov/dashboard/chemical_lists/toxcast) | HMDB(https://hmdb.ca/) | Openms(https://www.openms.de/) | Mass Frontier(https://www.thermofisher.com/order/catalog/product/OPTON-30984#/OPTON-30984) | |
| DrugBank(https://www.drugbank.ca/) | EPA(https://comptox.epa.gov/dashboard) | Markerview(AB SCIEX，https://sciex.com.cn/products/software/markerview-software) | | |
| OECD(http://www.oecd.org/) | GNPS(https://gnps.ucsd.edu/ProteoSAFe/static/gnps-splash.jsp) | Mass lynx(Waters，https://www.waters.com/waters/zh_CN/MassLynx-MS-Software/nav.htm?locale=zh_CN&cid=513662) | | |
| Norman suspect list(https://www.norman-network.com/?q=node/19) | | Compound Discover(Thermo Scientific，https://www.thermofisher.com/cn/zh/home/industrial/mass-spectrometry/liquid-chromatography-mass-spectrometry-lc-ms/lc-ms-software/multi-omics-data-analysis/compound-discoverer-software.html) | | |
| | Mass Hunter(Agilent，https://www.agilent.com/zh-cn/products/software-informatics/masshunter-suite/masshunter/masshunter-software) | | |
| | MS-DIAL(http://prime.psc.riken.jp/compms/msdial/main.html) | |