A Suite of Tools for Metabolite Annotation


Mass-Based Search Tool

Mass-Based Search Tool uses resources from multiple metabolite databases (HMDB, LIPD MAPS, KEGG, MMCD, METLIN, etc.) 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 (the m/z values can be entered separated by comma, space, or line);
(2) Upload a list of m/z values saved in csv format (the column for the m/z values should be labeled as 'm/z');
(3) Upload LC-MS data processed by the 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 a list of m/z values saved in csv format (the column for the m/z values should be labeled as 'm/z')







Tolerance (ppm) Enter the mass tolerance in ppm


Combine, remove, or mark searching results with this function

Scoring Methods Choose methods to score

Isotopic Pattern Analysis

Network-Based Analysis


Progress








Ionization Mode Choose the ionization mode


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

m/z
Retention Time
Pcgroup
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
IF-THEN Remark