MyCompoundID

Website

http://mycompoundid.org/mycompoundid_IsoMS/

Description

MyCompoundID provides an online resource for Putative Metabolite Annotation. The MyCompoundID.org (MCID)(Li et al. 2013) database encompasses 8,021 endogenous human metabolites from HMDB(Wishart et al. 2013) and 375,809 predicted metabolites from the Evidence-based Metabolome Library (EML). It includes an automated MS/MS search program(Huan, Tang, et al. 2015) that searches a spectral database created using in silico fragmentation prediction, as well as MS search program. Batch searches can be performed using a CSV of a peak list generated from LC-MS/MS spectral analysis. There are also a number of tools for the identification of specific chemical groups including DnsID(Huan, Wu, et al. 2015) for dansylate labelled metabolites, PEP(Tang et al. 2014) search for di/tripeptides and IsoMS for isotopic labelling studies.

Functionality

• Annotation/MS/Level 2a - Library Spectrum Match

Instrument Data Type

• MS

Approaches

Computer Skills

Basic

Software Type

Web Based

Interface

Web User Interface

Operating System (OS)

• Unix/Linux
• Mac OS
• Windows

Language

Java, Javascript

Dependencies

N/A

Input Formats - Open

Input Formats - Proprietary

Published

2013

Last Updated

2015

License

Paper

http://www.ncbi.nlm.nih.gov/pubmed/23373753

PMID

23373753