List of MS2T libraries

7/4/2009
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.

List of MS2T libraries

Library ID1 Precursor selection2 Spieces Accession Tissue Growth condition Number of records State
ATH01p Narrow Arabidopsis thaliana Col-0 Shoot 4-week-old 6491 Downloadable
ATH02p Narrow Arabidopsis thaliana Col-0 Influorescence 5-week-old 3703 Downloadable
ATH03p Narrow Arabidopsis thaliana Col-0 Rosette leaves (10th-15th) 4-week-old 3008 Downloadable
ATH04p Narrow Arabidopsis thaliana Col-0 Cauline leaves (1st and 2nd) 4-week-old 3393 Downloadable
ATH05p Narrow Arabidopsis thaliana Col-0 Internodes (1st and 2nd) 4-week-old 2861 Downloadable
ATH06p Narrow Arabidopsis thaliana Col-0 Buds 4-week-old 10477 Downloadable
ATH07p Narrow Arabidopsis thaliana Col-0 Cauline leaves 4-week-old 9274 Downloadable
ATH08p Narrow Arabidopsis thaliana Col-0 Flowers 4-week-old 10879 Downloadable
ATH09p Narrow Arabidopsis thaliana Col-0 Rosette leaves (1st-5th) 4-week-old 9867 Downloadable
ATH10p Narrow Arabidopsis thaliana Col-0 Rosette leaves (5th-10th) 3-week-old 7506 Downloadable
ATH11p Narrow Arabidopsis thaliana Col-0 Silique 4-week-old 9938 Downloadable
ATH12p Narrow Arabidopsis thaliana Col-0 Internodes (1st and 2nd) 4-week-old 9305 Downloadable
ATH13p Narrow Arabidopsis thaliana Col-0 Seeds 4-week-old 12395 Downloadable
ATH14p Narrow Arabidopsis thaliana Col-0 Roots 4-week-old 10439 Downloadable
ATH15p Narrow Arabidopsis thaliana Mixture of various ecotypes group I Rosette leaves 3-week-old 9495 Downloadable
ATH16p Narrow Arabidopsis thaliana Mixture of various ecotypes group II Rosette leaves 3-week-old 8555 Downloadable
ATH17p Narrow Arabidopsis thaliana Mixture of various ecotypes group III Rosette leaves 3-week-old 9756 Downloadable
ATH18p Narrow Arabidopsis thaliana Mixture of various ecotypes group IV Rosette leaves 3-week-old 8032 Downloadable
ATH19p Narrow Arabidopsis thaliana Nossen (mixture of AcDs taglines) Seedling AcDs 10-day-old 10620 Downloadable
ATH20p Narrow Arabidopsis thaliana - Dry seed 8-week-old 44030 Downloadable
ATH21p Narrow Arabidopsis thaliana Col-0 shoot 3-week-old & 8-week-old mixture 4112 Downloadable
ATH56p Wide Arabidopsis thaliana Col-0 Buds 4-week-old 15153 Downloadable
ATH57p Wide Arabidopsis thaliana Col-0 Cauline leaves 4-week-old 13472 Downloadable
ATH58p Wide Arabidopsis thaliana Col-0 Flowers 4-week-old 15350 Downloadable
ATH59p Wide Arabidopsis thaliana Col-0 Rosette leaves (1st-5th) 4-week-old 12242 Downloadable
ATH60p Wide Arabidopsis thaliana Col-0 Rosette leaves (5th-10th) 3-week-old 13659 Downloadable
ATH61p Wide Arabidopsis thaliana Col-0 Silique 4-week-old 14683 Downloadable
ATH62p Wide Arabidopsis thaliana Col-0 Internodes (1st and 2nd) 4-week-old 13133 Downloadable
ATH63p Wide Arabidopsis thaliana Col-0 Seeds 4-week-old 17986 Downloadable
ATH64p Wide Arabidopsis thaliana Col-0 Roots 4-week-old 14513 Downloadable
ATH65p Wide Arabidopsis thaliana Mixture of various ecotypes group I Rosette leaves 3-week-old 16017 Downloadable
ATH66p Wide Arabidopsis thaliana Mixture of various ecotypes group II Rosette leaves 3-week-old 15482 Downloadable
ATH67p Wide Arabidopsis thaliana Mixture of various ecotypes group III Rosette leaves 3-week-old 13839 Downloadable
ATH68p Wide Arabidopsis thaliana Mixture of various ecotypes group IV Rosette leaves 3-week-old 13886 Downloadable
ATH69p Narrow Arabidopsis thaliana Mixture of various ecotypes Dry seed 8-week-old 49326 Downloadable
ATH70p Narrow Arabidopsis thaliana Mixture of various ecotypes group I Shoot 2-week-old 5431 Downloadable
ATH71p Narrow Arabidopsis thaliana Mixture of various ecotypes group II Shoot 2-week-old 5641 Downloadable
ATH72p Narrow Arabidopsis thaliana Mixture of various ecotypes group III Shoot 2-week-old 5937 Downloadable
ATH73p Narrow Arabidopsis thaliana Mixture of various ecotypes group IV Shoot 2-week-old 6474 Downloadable
ATH01n Narrow Arabidopsis thaliana Col-0 Shoot 4-week-old 4926 Downloadable
ATH02n Narrow Arabidopsis thaliana Col-0 Influorescence 5-week-old 4529 Downloadable
ATH03n Narrow Arabidopsis thaliana Col-0 Rosette leaves (10th-15th) 4-week-old 3470 Downloadable
ATH06n Narrow Arabidopsis thaliana Col-0 Buds 4-week-old 10092 Downloadable
ATH07n Narrow Arabidopsis thaliana Col-0 Cauline leaves 4-week-old 11870 Downloadable
ATH08n Narrow Arabidopsis thaliana Col-0 Flowers 4-week-old 12875 Downloadable
ATH09n Narrow Arabidopsis thaliana Col-0 Rosette leaves (1st-5th) 4-week-old 13038 Downloadable
ATH10n Narrow Arabidopsis thaliana Col-0 Rosette leaves (5th-10th) 3-week-old 10715 Downloadable
ATH11n Narrow Arabidopsis thaliana Col-0 Silique 4-week-old 7022 Downloadable
ATH12n Narrow Arabidopsis thaliana Col-0 Internodes (1st and 2nd) 4-week-old 5836 Downloadable
ATH13n Narrow Arabidopsis thaliana Col-0 Seeds 4-week-old 13255 Downloadable
ATH14n Narrow Arabidopsis thaliana Col-0 Roots 4-week-old 11247 Downloadable
ATH15n Narrow Arabidopsis thaliana Mixture of various ecotypes group I Rosette leaves 3-week-old 10772 Downloadable
ATH16n Narrow Arabidopsis thaliana Mixture of various ecotypes group II Rosette leaves 3-week-old 6885 Downloadable
ATH17n Narrow Arabidopsis thaliana Mixture of various ecotypes group III Rosette leaves 3-week-old 6963 Downloadable
ATH18n Narrow Arabidopsis thaliana Mixture of various ecotypes group IV Rosette leaves 3-week-old 8001 Downloadable
ATH19n Narrow Arabidopsis thaliana Nossen (mixture of AcDs taglines) Seedling AcDs 10-day-old 7272 Downloadable
ATH21n Narrow Arabidopsis thaliana Col-0 shoot 3-week-old & 8-week-old mixture 965 Downloadable
ATH56n Wide Arabidopsis thaliana Col-0 Buds 4-week-old 18775 Downloadable
ATH57n Wide Arabidopsis thaliana Col-0 Cauline leaves 4-week-old 19239 Downloadable
ATH58n Wide Arabidopsis thaliana Col-0 Flowers 4-week-old 19647 Downloadable
ATH59n Wide Arabidopsis thaliana Col-0 Rosette leaves (1st-5th) 4-week-old 17702 Downloadable
ATH60n Wide Arabidopsis thaliana Col-0 Rosette leaves (5th-10th) 3-week-old 17567 Downloadable
ATH61n Wide Arabidopsis thaliana Col-0 Silique 4-week-old 16412 Downloadable
ATH62n Wide Arabidopsis thaliana Col-0 Internodes (1st and 2nd) 4-week-old 15736 Downloadable
ATH63n Wide Arabidopsis thaliana Col-0 Seeds 4-week-old 18979 Downloadable
ATH64n Wide Arabidopsis thaliana Col-0 Roots 4-week-old 15752 Downloadable
ATH65n Wide Arabidopsis thaliana Mixture of various ecotypes group I Rosette leaves 3-week-old 9512 Downloadable
ATH66n Wide Arabidopsis thaliana Mixture of various ecotypes group II Rosette leaves 3-week-old 15063 Downloadable
ATH67n Wide Arabidopsis thaliana Mixture of various ecotypes group III Rosette leaves 3-week-old 14355 Downloadable
ATH68n Wide Arabidopsis thaliana Mixture of various ecotypes group IV Rosette leaves 3-week-old 14894 Downloadable
ATH69n Narrow Arabidopsis thaliana Mixture of various ecotypes Dry seed 8-week-old 36344 Downloadable
ATH70n Narrow Arabidopsis thaliana Mixture of various ecotypes group I Shoot 2-week-old 2495 Downloadable
ATH71n Narrow Arabidopsis thaliana Mixture of various ecotypes group II Shoot 2-week-old 2599 Downloadable
ATH72n Narrow Arabidopsis thaliana Mixture of various ecotypes group III Shoot 2-week-old 2126 Downloadable
ATH73n Narrow Arabidopsis thaliana Mixture of various ecotypes group IV Shoot 2-week-old 1960 Downloadable
OSA02p Narrow Oryza sativa Sasanishiki Dehulled seed Field harvested 2377 Downloadable
OSA02n Narrow Oryza sativa Sasanishiki Dehulled seed Field harvested 2890 Downloadable
OSA03p Narrow Oryza sativa Habataki Dehulled seed Field harvested 2336 Downloadable
OSA03n Narrow Oryza sativa Habataki Dehulled seed Field harvested 2746 Downloadable
OSA04p Narrow Oryza sativa Sasanishiki/Habataki BILs mixture Dehulled seed Field harvested 2315 Downloadable
OSA04n Narrow Oryza sativa Sasanishiki/Habataki BILs mixture Dehulled seed Field harvested 2982 Downloadable
OSA05p Narrow Oryza sativa Sasanishiki Leaf blade 2-week-old, Soil grown 6036 Downloadable
OSA05n Narrow Oryza sativa Sasanishiki Leaf blade 2-week-old, Soil grown 6967 Downloadable
OSA06p Narrow Oryza sativa Habataki Leaf blade 2-week-old, Soil grown 7084 Downloadable
OSA06n Narrow Oryza sativa Habataki Leaf blade 2-week-old, Soil grown 6403 Downloadable
OSA07p Narrow Oryza sativa Sasanishiki/Habataki BILs mixture Leaf blade 2-week-old, Soil grown 6050 Downloadable
OSA07n Narrow Oryza sativa Sasanishiki/Habataki BILs mixture Leaf blade 2-week-old, Soil grown 6570 Downloadable
OSA08p Narrow Oryza sativa Sasanishiki/Habataki BILs mixture Leaf blade 2-week-old, Soil grown 5981 Downloadable
OSA08n Narrow Oryza sativa Sasanishiki/Habataki BILs mixture Leaf blade 2-week-old, Soil grown 4600 Downloadable
OSA09p Narrow Oryza sativa Sasanishiki/Habataki BILs mixture Leaf blade 2-week-old, Soil grown 6110 Downloadable
OSA09n Narrow Oryza sativa Sasanishiki/Habataki BILs mixture Leaf blade 2-week-old, Soil grown 4054 Downloadable
OSA10p Narrow Oryza sativa Sasanishiki/Habataki BILs mixture Leaf blade 2-week-old, Soil grown 6825 Downloadable
OSA10n Narrow Oryza sativa Sasanishiki/Habataki BILs mixture Leaf blade 2-week-old, Soil grown 3362 Downloadable
OSA11p Narrow Oryza sativa Sasanishiki/Habataki BILs mixture Leaf blade 2-week-old, Soil grown 7170 Downloadable
OSA11n Narrow Oryza sativa Sasanishiki/Habataki BILs mixture Leaf blade 2-week-old, Soil grown 3669 Downloadable
OSA12p Narrow Oryza sativa Sasanishiki/Habataki BILs mixture Leaf blade 2-week-old, Soil grown 7017 Downloadable
OSA12n Narrow Oryza sativa Sasanishiki/Habataki BILs mixture Leaf blade 2-week-old, Soil grown 3513 Downloadable
OSA13p Narrow Oryza sativa Sasanishiki/Habataki BILs mixture Leaf blade 2-week-old, Soil grown 6722 Downloadable
OSA13n Narrow Oryza sativa Sasanishiki/Habataki BILs mixture Leaf blade 2-week-old, Soil grown 3962 Downloadable
OSA14p Narrow Oryza sativa Sasanishiki/Habataki BILs mixture Leaf blade 2-week-old, Soil grown 7097 Downloadable
OSA14n Narrow Oryza sativa Sasanishiki/Habataki BILs mixture Leaf blade 2-week-old, Soil grown 3922 Downloadable
OSA15p Narrow Oryza sativa Koshihikari Dehulled seed Field harvested 10569 Downloadable
OSA15n Narrow Oryza sativa Koshihikari Dehulled seed Field harvested 3782 Downloadable
OSA16p Narrow Oryza sativa Kasarath Dehulled seed Field harvested 10596 Downloadable
OSA16n Narrow Oryza sativa Kasarath Dehulled seed Field harvested 3053 Downloadable
OSA17p Narrow Oryza sativa Koshihikari/Kasarath BILs mixture Dehulled seed Field harvested 10497 Downloadable
OSA17n Narrow Oryza sativa Koshihikari/Kasarath BILs mixture Dehulled seed Field harvested 4262 Downloadable
OSA18p Narrow Oryza sativa Koshihikari/Kasarath BILs mixture Dehulled seed Field harvested 10614 Downloadable
OSA18n Narrow Oryza sativa Koshihikari/Kasarath BILs mixture Dehulled seed Field harvested 3469 Downloadable
OSA19p Narrow Oryza sativa Koshihikari/Kasarath BILs mixture Dehulled seed Field harvested 10390 Downloadable
OSA19n Narrow Oryza sativa Koshihikari/Kasarath BILs mixture Dehulled seed Field harvested 2938 Downloadable
OSA20p Narrow Oryza sativa Koshihikari/Kasarath BILs mixture Dehulled seed Field harvested 10723 Downloadable
OSA20n Narrow Oryza sativa Koshihikari/Kasarath BILs mixture Dehulled seed Field harvested 3637 Downloadable
OSA21p Narrow Oryza sativa Koshihikari/Kasarath BILs mixture Dehulled seed Field harvested 11005 Downloadable
OSA21n Narrow Oryza sativa Koshihikari/Kasarath BILs mixture Dehulled seed Field harvested 4508 Downloadable
OSA22p Narrow Oryza sativa Koshihikari/Kasarath BILs mixture Dehulled seed Field harvested 10754 Downloadable
OSA22n Narrow Oryza sativa Koshihikari/Kasarath BILs mixture Dehulled seed Field harvested 4077 Downloadable
OSA23p Narrow Oryza sativa Koshihikari/Kasarath BILs mixture Dehulled seed Field harvested 10939 Downloadable
OSA23n Narrow Oryza sativa Koshihikari/Kasarath BILs mixture Dehulled seed Field harvested 4256 Downloadable
OSA24p Narrow Oryza sativa Koshihikari/Kasarath BILs mixture Dehulled seed Field harvested 13562 Downloadable
OSA25p Narrow Oryza sativa Nipponbare Leaf blade 2-week-old, Soil grown 9940 Downloadable
OSA25n Narrow Oryza sativa Nipponbare Leaf blade 2-week-old, Soil grown 7665 Downloadable
OSA26p Narrow Oryza sativa Habataki Leaf blade 2-week-old, Soil grown 11629 Downloadable
OSA26n Narrow Oryza sativa Habataki Leaf blade 2-week-old, Soil grown 5537 Downloadable
OSA27p Narrow Oryza sativa Sasanishiki Leaf blade 2-week-old, Soil grown 10016 Downloadable
OSA27n Narrow Oryza sativa Sasanishiki Leaf blade 2-week-old, Soil grown 6440 Downloadable
OSA28p Narrow Oryza sativa Various cultivar A group Leaf blade 2-week-old, Soil grown 5667 Downloadable
OSA28n Narrow Oryza sativa Various cultivar A group Leaf blade 2-week-old, Soil grown 8360 Downloadable
OSA29p Narrow Oryza sativa Various cultivar B group Leaf blade 2-week-old, Soil grown 6289 Downloadable
OSA29n Narrow Oryza sativa Various cultivar B group Leaf blade 2-week-old, Soil grown 8067 Downloadable
OSA30p Narrow Oryza sativa Various cultivar C group Leaf blade 2-week-old, Soil grown 5540 Downloadable
OSA30n Narrow Oryza sativa Various cultivar C group Leaf blade 2-week-old, Soil grown 3835 Downloadable
OSA31p Narrow Oryza sativa Various cultivar D group Leaf blade 2-week-old, Soil grown 5760 Downloadable
OSA31n Narrow Oryza sativa Various cultivar D group Leaf blade 2-week-old, Soil grown 4119 Downloadable
OSA32p Narrow Oryza sativa Various cultivar E group Leaf blade 2-week-old, Soil grown 5826 Downloadable
OSA32n Narrow Oryza sativa Various cultivar E group Leaf blade 2-week-old, Soil grown 4417 Downloadable
OSA33p Narrow Oryza sativa Various cultivar F group Leaf blade 2-week-old, Soil grown 5450 Downloadable
OSA33n Narrow Oryza sativa Various cultivar F group Leaf blade 2-week-old, Soil grown 4467 Downloadable
OSA34p Narrow Oryza sativa Various cultivar G group Leaf blade 2-week-old, Soil grown 5545 Downloadable
OSA34n Narrow Oryza sativa Various cultivar G group Leaf blade 2-week-old, Soil grown 2925 Downloadable
OSA35p Narrow Oryza sativa Various cultivar H group Leaf blade 2-week-old, Soil grown 5234 Downloadable
OSA35n Narrow Oryza sativa Various cultivar H group Leaf blade 2-week-old, Soil grown 2897 Downloadable
OSA36p Narrow Oryza sativa Various cultivar I group Leaf blade 2-week-old, Soil grown 5324 Downloadable
OSA36n Narrow Oryza sativa Various cultivar I group Leaf blade 2-week-old, Soil grown 2998 Downloadable
OSA37p Narrow Oryza sativa Various cultivar J group Leaf blade 2-week-old, Soil grown 5891 Downloadable
OSA37n Narrow Oryza sativa Various cultivar J group Leaf blade 2-week-old, Soil grown 5249 Downloadable
OSA38p Narrow Oryza sativa Various cultivar K group Leaf blade 2-week-old, Soil grown 5743 Downloadable
OSA38n Narrow Oryza sativa Various cultivar K group Leaf blade 2-week-old, Soil grown 2760 Downloadable
OSA39p Narrow Oryza sativa Various cultivar L group Leaf blade 2-week-old, Soil grown 4105 Downloadable
OSA39n Narrow Oryza sativa Various cultivar L group Leaf blade 2-week-old, Soil grown 2713 Downloadable
TAE01p Narrow Triticum aestivum Chinese Spring (mixture of WB7 and SH5) Seed Field harvested 3270 Downloadable
TAE02p Wide Triticum aestivum Chinese Spring (mixture of chromosome added lines) Leaf 3-week-old, Soil grown 18434 Downloadable
TAE03p Wide Triticum aestivum WB8 Leaf 3-week-old, Soil grown 16669 Downloadable
TAE04p Wide Triticum aestivum WB9 Leaf 3-week-old, Soil grown 16338 Downloadable
TAE05p Wide Triticum aestivum WB3 and WB7 Leaf 3-week-old, Soil grown 16223 Downloadable
TAE06p Wide Triticum aestivum WB5 Leaf 3-week-old, Soil grown 16023 Downloadable
SLY01p Narrow Solanum lycopersicum - Fruits Green house harvested 12567 Downloadable
SLY02p Narrow Solanum lycopersicum - Fruits Green house harvested 13013 Downloadable
GMA01p Wide Glycine max cv. Enrei Seed Green house harvested 18565 Downloadable
GMA01n Wide Glycine max cv. Enrei Seed Green house harvested 16095 Downloadable
GMA02p Narrow Glycine max Misuzudaizu and Moshidou Gong 503 Seed Green house harvested 7158 Downloadable
GMA02n Narrow Glycine max Misuzudaizu and Moshidou Gong 503 Seed Green house harvested 4899 Downloadable
CHR01p Narrow Chara spp. - Mixture 4-week-old 12648 Downloadable
PCO01p Narrow Pyrus communis La france Fruits Field harvested 8551 Downloadable
PCO01n Narrow Pyrus communis La france Fruits Field harvested 7927 Downloadable
PCO02p Narrow Pyrus communis La france Fruits Field harvested 13284 Downloadable
PCO02n Narrow Pyrus communis La france Fruits Field harvested 8140 Downloadable
LJA01p Narrow Lotus japonicus Miyakojima and Gifu Dry seed Field harvested 43039 Downloadable
LJA01n Narrow Lotus japonicus Miyakojima and Gifu Dry seed Field harvested 37515 Downloadable
ACE01p Narrow Allium cepa - onion bulb 7-month 3660 Downloadable
ACE01n Narrow Allium cepa - onion bulb 7-month 1395 Downloadable
BNA01p Narrow Brassica napus L. B. napus var. Global leaves 2-month-old, Soil grown 5006 Downloadable
BNA01n Narrow Brassica napus L. B. napus var. Global leaves 2-month-old, Soil grown 4623 Downloadable

1. Library ID represents the abbreviation of the plant name, library number, and polarity (positive or negative).

2. Width of percursor ion selection was controlled by the LM parameter of Q-Tof Premier (Waters). For 'narrow' (1.0 Da width) and 'wide' 3.0 Da width modes, LM was set to 4.7 and 15 V, respectively.

Data structure

1 Accession Unique accession of the entry
2 Date Date of data acquisition
3 Time Time of data acquisition
4 Filename Name of raw data file
5 ScanNr Number of Scan
6 Rt Retention time (min)
7 prec m/z of selected precursor in MS spectra
8 int Intensity of precursor ion in MS spectra (cps)
9 prec+1 m/z of single-isotope-labeled precursor in MS spectra
10 int Intensity of single-isotope-labeled precursor in MS spectra (cps)
11 prec+2 m/z of double-isotope-labeled precursor in MS spectra
12 int Intensity of double-isotope-labeled precursor in MS spectra (cps)
13 Base peak int Intensity of base peak ion in MS/MS spectra (cps)
14 Spectra MS/MS spectra (m/z: intensity; m/z: intensity;......).

Data acquisition method

The prepared sample extracts were analyzed using an LC-MS system equipped with an electrospray ionization (ESI) interface (HPLC: Waters Acquity UPLC system; MS: Waters Q-Tof Premier).
Analytical conditions:
HPLC: column: Acquity BEH C18 (pore size: 1.7 μm), Waters, 2.1 by 100 mm; solvent system: acetonitrile (0.1% formic acid):water (0.1% formic acid); gradient program: 1:99, v/v, at 0 min; 1:99, v/v, at 0.3 min; 99.5:0.5 at 46.5 min; 99.5:0.5 at 51.0 min; 1:99, v/v, at 51.3 min; and 1:99 at 60 min; flow rate: 0.1 ml/min; temperature: 38 ℃.
MS detection: capillary voltage: +3.0 keV; cone voltage: 22.5 V; source temperature: 120 ℃; desolvation temperature: 450 ℃; cone gas flow: 50 l/h; desolvation gas flow: 800 l/h;collision energy: 2 V; detection mode: Survey. In this mode, following the acquisition of the MS spectrum (m/z 100–1000; dwell time: 0.45 s, interscan delay: 0.05 s), the MS/MS data of the top three ions were automatically obtained (m/z 50–1000; dwell time: 2.5 s; interscan delay: 0.5 s, data acquisition: centroid mode, collision energy: ramped from 5 to 60 V).
The mass/charge ratio (m/z) was calibrated with the lock-mass spectrometer by using leucine enkephalin. The analyses were repeated 25 times by shifting the m/z ranges of the target ion selection window for the MS/MS analysis (m/z 100–160, 130–190, 160–220,..., m/z 880–940, 940–1000). The data were converted into the ASCII format using DataBridge. The information in each MS/MS spectrum was formatted to the MS2T libraries using in-house Perl scripts. Low-intensity signals of less than 5 cps were discarded in this process. The original retention time values were divided by three to compensate for the difference in the peak elution conditions.

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