SE133:/S1

Sample Set Information

ID	TSE7
Title	Regular expressions of MS/MS spectra for partial annotation of metabolite features
Description	Partial annotation and characterization of metabolite structures on the basis of data from tandem mass spectrometry (MS/MS) spectra are technical bottlenecks in metabolomics. Novel approaches should be explored for evaluation of spectral similarities among structurally related compounds as well as for description of fragmentation motifs commonly observed in MS/MS spectra.
Authors	Fumio Matsuda
Reference	Matsuda (2016) Metabolomics, July, 12:113
Comment	MS/MS strings of MassBank dataset and MS/MS strings of Arabidopsis (ATH) and rice (OSA) MS/MS spectra data are stored in DROP Met as "Test dataset for the regular expression of MS/MS spectra data"

doi: 10.1007/s11306-016-1052-3

The raw data files are available at DROP Met web site in PRIMe database of RIKEN.

Sample Information

ID	S1
Title	Arabidopsis thaliana
Organism - Scientific Name	Arabidopsis thaliana
Organism - ID	NCBI taxonomy 3702
Compound - ID
Compound - Source
Preparation	Seedlings of Arabidopsis thaliana (Col-0) were grown in pots containing soil at 20°C with a 16 h daily photoperiod. Six weeks after germination, the 12th or 13th expanded rosette leaves (rosette leaf), the 1st and 2nd expanded cauline leaves (cauline leaf), the upper part of the inflorescence (inflorescence), and first internode tissues (stem) were collected from eight individual Arabidopsis plants at stage 6.3 (Boyes et al., 2001) and stored at −80°C until use. For metabolic phenotyping of Ds transposon insertion lines (Kuromori et al., 2004, 2006), 60lines of homozygous seeds were grown on the half‐strength MS medium plates at 20°C with a 16h daily photoperiod. Two weeks after germination, whole tissues of 20 seedlings were collected, weighed, and stored at −80°C.
Sample Preparation Details ID
Comment	Matsuda et al (2009) Plant J 57: 555–577.

PubMed