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 °C.
MS detection: capillary voltage: +3.0 keV; cone voltage: 22.5 V; source temperature: 120 °C; desolvation temperature: 450 °C; 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
Metabolome analysis research team, LC-MS Branch