MAGE-TAB Version	1.1
Comment[MetaboBank accession]	MTBKS86
Study Title	Comparison of leaf metabolits among Glycyrrhiza species
Study Description	Investigation of Glycyrrhiza leaf metabolites. 3 species (G. glabra, G. pallidiflora and G. uralensis ) and 3 replicates data are examined.

Experimental Design	species design
Experimental Factor Name	organism
Experimental Factor Type	organism

Person Last Name	Ara
Person First Name	Takeshi
Person Mid Initials
Person Affiliation	Kazusa DNA Research Institute
Person Roles	submitter

PubMed ID
Publication DOI

Protocol Name	Sample collection	Extraction	Chromatography	Mass spectrometry	Data processing	Metabolite identification
Protocol Type	Sample collection	Extraction	Chromatography	Mass spectrometry	Data processing	Metabolite identification
Protocol Description	Plant materials are grown on pots filled by soil under natural conditions.	Harvested sample is frozen by liquid N2 and resulting powder (100mg) are solved in 300 microL 80% methanol solution. 20 microL sample is injected into HPLC after 0.2 micrometre membrane filter treatment.	Instrument: Agilent 1100 HPLC (Agilent Technologies) HPLC equipped with photodiode array detector; Comment: Elute monitoring by PDA equipped with Agilent1100 HPLC in 2 nm step.; Max wave length for elute monitering: 650.0 nm; Min wave length for elute monitering: 200.0 nm; Column name: TSKgel ODS-100V (4.6 x 250 mm, 5 micrometre; TOSOH); Column temperature: 40.0 degree C; Elute monitor: photodiode array detector; Flow gradient: Gradient: (B);3 to 30% (0.0 to 25.0 min), 30 to 90% (25.1 to 40.0 min), 90% (40.1 to 45.0 min), 95% (45.1 to 50.0 min), 3% (50.1 to 57.0 min); Flow rate: 0.5 ml/min; Solvent: A; 0.1% formic acid aq. B; ACN (addition 0.1% formic acid fc.)	Instrument: LTQ-FT (Thermo Fisher Scientific) Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR MS); MS scan setting: FT-ICR-MS conditions: Filter 1: FTMS + c norm !corona !pi res=100000 o(200.0-1500.0); 2: ITMS + c norm !corona !pi Dep MS/MS Most intense ion from (1); 3: ITMS + c norm !corona !pi Dep MS/MS 2nd most intense ion from (1), Rejected mass=224.1900, 225.1930, 235.1700, 236.1830, 266.2300, 267.2330, 294.2600, 295.2630, 378.0400, 380.0300, 609.4000, 610.2900, 810.4200, 811.4100, 1123.6700, 1124.6830, 1125.6800.; Data processing software: Xcalibur (Thermo Fisher Scientific K.K); Fragmentation method: Collision Induced Dissociation (CID); Ion isolation: ESI; Ion mode: Positive; Mass analyser: FT-ICR; Resolution: 100000; Scan mass range: m/z 200.0-1500.0	data not submitted	data not submitted
Protocol Parameters		Post extraction;Derivatization	Chromatography instrument;Autosampler model;Column model;Column type;Guard column;Detector;Signal range;Resolution	Scan polarity;Scan m/z range;Instrument;Ion source;Mass analyzer
Protocol Hardware			Agilent 1100 HPLC (Agilent Technologies) HPLC equipped with photodiode array detector	LTQ-FT (Thermo Fisher Scientific) Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR MS)
Protocol Software				Xcalibur (Thermo Fisher Scientific K.K)

Public Release Date	2020-10-05

Term Source Name	Metabolonote
Term Source File	http://metabolonote.kazusa.or.jp
Term Source Version

SDRF File	MTBKS86.sdrf.txt

Comment[Study type]	untargeted metabolite profiling
Comment[Experiment type]	liquid chromatography-mass spectrometry	fourier transform ion cyclotron resonance mass spectrometry
Comment[Submission type]	LC-DAD-MS
Comment[BioProject]	PRJDB14174
Comment[Related study]	Metabolonote:SE34
Comment[Contributor]	Hideki Nagasaki, Sachiko Osawa, Hideki Hirakawa, Yukiko Nakamura, Takashi Matsuura, Mitsuo Enomoto, Nozomu Sakurai, Hideyuki Suzuki, Daisuke Shibata (Kazusa DNA Research Institute)
Comment[Submission Date]	2019-10-05
Comment[Last Update Date]	2024-06-14