A Suite of Tools for Metabolite Identification


Mass-Based Search Tool

Mass-Based Search Tool uses resources from multiple metabolite databases (HMDB, LIPD MAPS, KEGG, MMCD, and METLIN) to find putative
metabolite IDs for a list of m/z values. Users may choose one of the following options:
(1) Enter a list of m/z values in the m/z window (one m/z value per line);
(2) Upload a list of m/z values saved in csv format (the first column of the csv file should list indices and the second column m/z values);
(3) Upload LC-MS data processed by R-package CAMERA (Collection of Algorithms for MEtabolite pRofile Annotation) and saved as a csv file.















m/z Enter a list of m/z values in the m/z window (one m/z value per line)

Upload Upload a list of m/z values saved in csv format (the first column of the csv file should list indices and the second column m/z values) Click here to down load demo datasets

Progress




Tolerance (ppm) Enter the mass tolerance in ppm


Ionization Mode Choose the ionization mode


Metabolites Choose the small molecules to be included in the mass-based search


Scoring Methods Choose methods to score putative IDs

Isotopic Pattern Analysis

Network-Based Analysis

Display Options Select the features you would like displayed in the results table

m/z
Retention Time
Pcgroup
Group ID
Query Mass
Name
Formula
Exact Mass
PPM Error
InchKey
PubChem CID
MoNA ID
NIST ID
HMDB ID
LIPID MAPS ID
KEGG ID
MMCD ID
METLIN ID
SMILES
CAS
Isotope Score
Net-based Score