MS-FINDER
Objective
MS-FINDER was launched as a universal program for compound ‘annotation’ that supports EI-MS (GC/MS) and MS/MS spectral mining.

First, MS-FINDER aims to provide solutions for
1) formula predictions,
2) fragment annotations,
and 3) structure elucidations by means of unknown spectra.

In addition, the program can annotate your unknowns
by the public spectral databases such as MassBank, LipidBlast, and GNPS.
Please cite
Hydrogen rearrangement rules: computational MS/MS fragmentation and structure elucidation using MS-FINDER software. Analytical Chemistry 88, 7946-7958, 2016. [ACS link]
Identifying metabolites by integrating metabolome databases with mass spectrometry cheminformatics. Nature Methods, 15, 53-56, 2018 [NPG link]
Software
MS-FINDER
Latest version
Download
Repository
Old versions
Link
Core
Souce code
Download
Library
Templates
.txt files etc.
Link in page
Demonstration
.msp files etc.
Download
Tutorial
Tutorial
mtbinfo-team.github.io
Link
Console App
Terminal operation page
Link
Data templates
MSP format as query file.
MAT format as query file.
MAT format file including elements-fix information (the same format is used in MSP).
User defined structure library.
Retention time library (InChIKey and RT pairs).
CCS library (InChIKey, Adduct, and CCS pairs).
Retention time and structure data for retention time prediction.
Acknowledgement
This project was mainly supported
by NSF-JST Strategic International Collaborative Research Program (SICORP) for JP-US Metabolomics.
MS-FINDER is mainly developed between UC Davis Prof.
Oliver Fiehn team and RIKEN CSRS (and NIG) Prof. Masanori Arita team.
RIKEN
CSRS
PRIMe
RIKEN Center for Sustainable Resource Science : Metabolome Informatics Research Team
1-7-22 Suehiro-cho, Tsurumi-ku, Yokohama City, Kanagawa, 230-0045, Japan
Creative Commons License