MS/MS spectral tag (MS2T) viewer

7/4/2009 ver 1.01
F.Matsuda, Metabolome analysis research team, RIKEN PSC

MS/MS spectral tag (MS2T) libraries are collections of phytochemical MS2 spectral data obtained by using an automatic MS2 acquistion function of LC-ESI-Q-TOF/MS (Waters Aquity Q-TOF). The basic concept of MS2T and its application for metabolite annotation are explained in Matsuda et al (2008) Plant J 57: 555-77. Now, total 1,623,091 MS2T data derived from Arabidopsis, rice, wheat, and soybean are available.


Select MS2T libraries

List of MS2T libraries (Data download and analytical information)

MS/MS spectrum tag (MS2T) accession codes.

Perform filtration by MS2T accession codes (Override to other filtration methods).

Separaters: \s \n \t ; : ,

Retention time

Perform filtration by retention time

+- min. (0.5 to 15.0 min)

Mass

Perform filtration by m/z

+- Da.
Examples: 611.1612 +- 0.01 or C27H31O16 +- 0.01.

Base peak intensity

More than cps.

Spectra similarity

Perform filtration by spectra similarity (Cosine product method)

Query spectra: (Separaters: \s \n \t ; : ,)

Threshold for motif search (Da)

Threshold for hit score (0.0<->1.0)

Acknowledgement


KNApSAcK: A Comprehensive Species-Metabolite Relationship Database, Kanaya-lab, NAIST


MassBank: High Resolution Mass Spectral Database, JST/BIRD


All MS2T data in this database were produced by using UPLC-Q-TOF Premier (Waters).

2008 RIKEN Plant Science Center
Metabolome analysis research team, LC-MS Branch