FlavonoidSearch system

FlavonoidSearch is a system for flavonoid annotation using mass spectral data retrieved from tandem mass (MS/MS) or multi-stage mass analysis (MSⁿ) of mass spectrometers. The system consists of a probable mass fragment database constructed manually for known flavonoids (FsDatabase)and a command line tool (FsTool) to search the database.

Publication

Akimoto N, Ara T, Nakajima D, Suda K, Ikeda C, Takahashi S, Muneto R, Yamada M, Suzuki H, Shibata D and Sakurai N (2017) FlavonoidSearch: A system for comprehensive flavonoid annotation by mass spectrometry, Scientific Reports 7: 1243 (2017)
[Journal website]

Data

Binary raw data, peak list, and MSn data acquired in the paper are available here.

Sample	Sample Info. (Metaboloonte)	Raw File (MassBase)	Peak table and MSn list
Parsley (green house grown)	SE61_S11_M014	MDLC1_47222	download (zip 12.3MB)
Parsley (cultivation shelf grown)	SE61_S21_M015	MDLC1_47225	download (zip 594KB)
Apple (fruit)	SE62_S01_M5	MDLC1_47226	download (zip 89KB)
Broccoli (edible part)	SE62_S02_M5	MDLC1_47227	download (zip 168KB)
Carrot (root)	SE62_S03_M5	MDLC1_47228	download (zip 26KB)
Purple carrot (root)	SE62_S04_M5	MDLC1_47229	download (zip 213KB)
Chinese cabbage (shoot)	SE62_S05_M5	MDLC1_47230	download (zip 32KB)
Eggplant (fruit)	SE62_S06_M5	MDLC1_47231	download (zip 230KB)
Grape (flesh)	SE62_S07_M5	MDLC1_47232	download (zip 149KB)
Green pepper (fruit)	SE62_S08_M5	MDLC1_47233	download (zip 138KB)
Paprika (fruit)	SE62_S09_M5	MDLC1_47234	download (zip 115KB)
Mandarin orange (peeled fruit)	SE62_S10_M5	MDLC1_47235	download (zip 319KB)
Orange (peeled fruit)	SE62_S11_M5	MDLC1_47236	download (zip 378KB)
Onion (edible part)	SE62_S12_M5	MDLC1_47237	download (zip 231KB)
Spinach (shoot)	SE62_S13_M5	MDLC1_47238	download (zip 256KB)
Squash (fruit)	SE62_S14_M5	MDLC1_47239	download (zip 51KB)
Strawberry (fruit)	SE62_S15_M5	MDLC1_47240	download (zip 416KB)

FsTool

This is a tool to search flavonoid aglycones in FsDatabase match to the query spectra. FsTool can be used both as an easy-to-use graphical user interface (GUI) tool and a command line tool for high-throughput calculations on servers.

Computer Requirements

Java Runtime Environment (1.6.0 or newer, Oracle Corporation) is required in your PC. See Oracle's website for installation of Java.

We tested the tool using following PCs:
Windows 10, MacOSX, CentOS 7.2 Linux

Download

FlavonoidSearch_FsTool ver.1.2.0 (3.53 MB)

Tutorial

FsTool_tutorial_en.pdf (English, 841 KB)

FsTool_tutorial_ja.pdf (Japanese, 1.09 MB)

User Manual

FsTool_manual_en.pdf (English, 555 KB)

FsTool_manual_ja.pdf (Japanese, 685 KB)

License

FlavonoidSearch is available free of charge for academic purposes. This software "FlavonoidSearchTool.jar" includes an open source software "flavonoidsearch.jar" which is licensed under the GNU Lesser General Public License, Version 2.1 (LGPL 2.1). The source codes of "flavonoidsearch.jar" is included in the jar file.