ParticipantID:        oberacher
Category:	      category2
Authors:              Oberacher, Herbert
Affiliations:         Institute of Legal Medicine and Core Facility 
                      Metabolomics, Innsbruck Medical University
Automatic pipeline:   yes
Spectral libraries:   yes

Abstract

We processed only the LC-MS challenges. The challenge data was used as
input for automated library search in 4 libraries.
(a) MassBank (Date: 7.1.2013, Spectrum Search, Tolerance m/z: 0.3
units, Cutoff Threshold: 5, MS Type: All, Positive and Negative)
(b) Metlin (Date: 9.1.2013, MSMS Spectrum Search, Tolerance MSMS
0.01-0.1 Da, Tolerance precursor: 100 ppm, Positive and Negative)
(c) NIST (NIST 2012 - May 2012, NIST MS Search Program 2.0g - MSMS
Search - Identity Search, m/z tolerance: 1.6 for precursor ions and
0.8 for product ions, Positive and Negative)
(d) Wiley Registry of Tandem Mass Spectral Data, MSforID (Ed. 1,
MSforID Search, m/z tolerance: 0.01-0.1, Intensity threshold: 0.05,
Positive and Negative)