mzOS

Version: 0.1.3

Website

https://github.com/jerkos/mzOS

Description

It provides deisotoping, annotation of fragments and adducts, metabolite identification with LipidMaps and HMDB and annotation confidence estimation. It is designed to receive a xcms peak table as input, which must contain a single polarity only. The confidence estimation of annotation can be performed using either bayesian inference (using network presence/ missing metabolites) or observed/theoretical isotope distribution pattern.

Functionality

• Annotation/MS/Level 3 - Tentative Candidates

Instrument Data Type

• MS/LC-MS

Approaches

• Untargeted

Computer Skills

Advanced

Software Type

Package

Interface

Command line Interface

Operating System (OS)

• Unix/Linux
• Mac OS
• Windows

Language

Python

Dependencies

numpy, scipy, scikit-learn, pandas

Input Formats - Open

Peaklist .txt/ .csv

Input Formats - Proprietary

N/A

Published

2015

Last Updated

2016

License

MIT

Paper

PMID