Source Name Characteristics[organism] Characteristics[taxonomy_id] Characteristics[biological_replicate] Characteristics[cultivar] Characteristics[tissue] Characteristics[treatment] Comment[BioSample] Comment[sample_title] Protocol REF Sample Name Protocol REF Parameter Value[Post extraction] Parameter Value[Derivatization] Extract Name Protocol REF Parameter Value[Chromatography instrument] Parameter Value[Autosampler model] Parameter Value[Column model] Parameter Value[Column type] Parameter Value[Guard column] Parameter Value[Detector] Parameter Value[Signal range] Parameter Value[Resolution] Labeled Extract Name Label Protocol REF Parameter Value[Scan polarity] Parameter Value[Scan m/z range] Parameter Value[Instrument] Parameter Value[Ion source] Parameter Value[Mass analyzer] Assay Name Comment[technical_replicate] Raw Data File Raw Data File Protocol REF Processed Data File Protocol REF Metabolite Assignment File Comment[maf_value_unit] Unlabeled Medicago truncatula Jemalong A17 shoot Medicago truncatula 3880 1 Jemalong A17 shoot Unlabeled SAMD00519850 Unlabeled Medicago truncatula Jemalong A17 shoot S01 Sample collection 1 S01 Extraction S01 Chromatography Agilent 1200 HPLC (Agilent Technologies) TSKgel ODS-100V (4.6 x 250mm, 5 micrometre; TOSOH) reverse phase 190-950 nm 2 nm Mass spectrometry positive 100.0-1500.0 LTQ-Orbitrap XL (Thermo Fisher Scientific) ESI LTQ-Orbitrap S01_M01 raw/MDLC1_43514.RAW raw/MDLC1_43514.mzXML Data processing Metabolite identification Unlabeled Medicago truncatula Jemalong A17 shoot Medicago truncatula 3880 2 Jemalong A17 shoot Unlabeled SAMD00519851 Unlabeled Medicago truncatula Jemalong A17 shoot S02 Sample collection 1 S02 Extraction S02 Chromatography Agilent 1200 HPLC (Agilent Technologies) TSKgel ODS-100V (4.6 x 250mm, 5 micrometre; TOSOH) reverse phase 190-950 nm 2 nm Mass spectrometry positive 100.0-1500.0 LTQ-Orbitrap XL (Thermo Fisher Scientific) ESI LTQ-Orbitrap S02_M01 raw/MDLC1_43515.RAW raw/MDLC1_43515.mzXML Data processing Metabolite identification Unlabeled Medicago truncatula Jemalong A17 shoot Medicago truncatula 3880 3 Jemalong A17 shoot Unlabeled SAMD00519852 Unlabeled Medicago truncatula Jemalong A17 shoot S03 Sample collection 1 S03 Extraction S03 Chromatography Agilent 1200 HPLC (Agilent Technologies) TSKgel ODS-100V (4.6 x 250mm, 5 micrometre; TOSOH) reverse phase 190-950 nm 2 nm Mass spectrometry positive 100.0-1500.0 LTQ-Orbitrap XL (Thermo Fisher Scientific) ESI LTQ-Orbitrap S03_M01 raw/MDLC1_43516.RAW raw/MDLC1_43516.mzXML Data processing Metabolite identification 13C-labeled Medicago truncatula Jemalong A17 shoot Medicago truncatula 3880 1 Jemalong A17 shoot 13C-labeled SAMD00519853 13C-labeled Medicago truncatula Jemalong A17 shoot S04 Sample collection 2 S04 Extraction S04 Chromatography Agilent 1200 HPLC (Agilent Technologies) TSKgel ODS-100V (4.6 x 250mm, 5 micrometre; TOSOH) reverse phase 190-950 nm 2 nm Mass spectrometry positive 100.0-1500.0 LTQ-Orbitrap XL (Thermo Fisher Scientific) ESI LTQ-Orbitrap S04_M01 raw/MDLC1_43502.RAW raw/MDLC1_43502.mzXML Data processing Metabolite identification 13C-labeled Medicago truncatula Jemalong A17 shoot Medicago truncatula 3880 2 Jemalong A17 shoot 13C-labeled SAMD00519854 13C-labeled Medicago truncatula Jemalong A17 shoot S05 Sample collection 2 S05 Extraction S05 Chromatography Agilent 1200 HPLC (Agilent Technologies) TSKgel ODS-100V (4.6 x 250mm, 5 micrometre; TOSOH) reverse phase 190-950 nm 2 nm Mass spectrometry positive 100.0-1500.0 LTQ-Orbitrap XL (Thermo Fisher Scientific) ESI LTQ-Orbitrap S05_M01 raw/MDLC1_43503.RAW raw/MDLC1_43503.mzXML Data processing Metabolite identification 13C-labeled Medicago truncatula Jemalong A17 shoot Medicago truncatula 3880 3 Jemalong A17 shoot 13C-labeled SAMD00519855 13C-labeled Medicago truncatula Jemalong A17 shoot S06 Sample collection 2 S06 Extraction S06 Chromatography Agilent 1200 HPLC (Agilent Technologies) TSKgel ODS-100V (4.6 x 250mm, 5 micrometre; TOSOH) reverse phase 190-950 nm 2 nm Mass spectrometry positive 100.0-1500.0 LTQ-Orbitrap XL (Thermo Fisher Scientific) ESI LTQ-Orbitrap S06_M01 raw/MDLC1_43504.RAW raw/MDLC1_43504.mzXML Data processing Metabolite identification 15N-labeled Medicago truncatula Jemalong A17 shoot Medicago truncatula 3880 1 Jemalong A17 shoot 15N-labeled SAMD00519856 15N-labeled Medicago truncatula Jemalong A17 shoot S07 Sample collection 3 S07 Extraction S07 Chromatography Agilent 1200 HPLC (Agilent Technologies) TSKgel ODS-100V (4.6 x 250mm, 5 micrometre; TOSOH) reverse phase 190-950 nm 2 nm Mass spectrometry positive 100.0-1500.0 LTQ-Orbitrap XL (Thermo Fisher Scientific) ESI LTQ-Orbitrap S07_M01 raw/MDLC1_43505.RAW raw/MDLC1_43505.mzXML Data processing Metabolite identification 15N-labeled Medicago truncatula Jemalong A17 shoot Medicago truncatula 3880 2 Jemalong A17 shoot 15N-labeled SAMD00519857 15N-labeled Medicago truncatula Jemalong A17 shoot S08 Sample collection 3 S08 Extraction S08 Chromatography Agilent 1200 HPLC (Agilent Technologies) TSKgel ODS-100V (4.6 x 250mm, 5 micrometre; TOSOH) reverse phase 190-950 nm 2 nm Mass spectrometry positive 100.0-1500.0 LTQ-Orbitrap XL (Thermo Fisher Scientific) ESI LTQ-Orbitrap S08_M01 raw/MDLC1_43506.RAW raw/MDLC1_43506.mzXML Data processing Metabolite identification 15N-labeled Medicago truncatula Jemalong A17 shoot Medicago truncatula 3880 3 Jemalong A17 shoot 15N-labeled SAMD00519858 15N-labeled Medicago truncatula Jemalong A17 shoot S09 Sample collection 3 S09 Extraction S09 Chromatography Agilent 1200 HPLC (Agilent Technologies) TSKgel ODS-100V (4.6 x 250mm, 5 micrometre; TOSOH) reverse phase 190-950 nm 2 nm Mass spectrometry positive 100.0-1500.0 LTQ-Orbitrap XL (Thermo Fisher Scientific) ESI LTQ-Orbitrap S09_M01 raw/MDLC1_43507.RAW raw/MDLC1_43507.mzXML Data processing Metabolite identification 18O-labeled Medicago truncatula Jemalong A17 shoot Medicago truncatula 3880 1 Jemalong A17 shoot 18O-labeled SAMD00519859 18O-labeled Medicago truncatula Jemalong A17 shoot S10 Sample collection 4 S10 Extraction S10 Chromatography Agilent 1200 HPLC (Agilent Technologies) TSKgel ODS-100V (4.6 x 250mm, 5 micrometre; TOSOH) reverse phase 190-950 nm 2 nm Mass spectrometry positive 100.0-1500.0 LTQ-Orbitrap XL (Thermo Fisher Scientific) ESI LTQ-Orbitrap S10_M01 raw/MDLC1_43508.RAW raw/MDLC1_43508.mzXML Data processing Metabolite identification 18O-labeled Medicago truncatula Jemalong A17 shoot Medicago truncatula 3880 2 Jemalong A17 shoot 18O-labeled SAMD00519860 18O-labeled Medicago truncatula Jemalong A17 shoot S11 Sample collection 4 S11 Extraction S11 Chromatography Agilent 1200 HPLC (Agilent Technologies) TSKgel ODS-100V (4.6 x 250mm, 5 micrometre; TOSOH) reverse phase 190-950 nm 2 nm Mass spectrometry positive 100.0-1500.0 LTQ-Orbitrap XL (Thermo Fisher Scientific) ESI LTQ-Orbitrap S11_M01 raw/MDLC1_43509.RAW raw/MDLC1_43509.mzXML Data processing Metabolite identification 18O-labeled Medicago truncatula Jemalong A17 shoot Medicago truncatula 3880 3 Jemalong A17 shoot 18O-labeled SAMD00519861 18O-labeled Medicago truncatula Jemalong A17 shoot S12 Sample collection 4 S12 Extraction S12 Chromatography Agilent 1200 HPLC (Agilent Technologies) TSKgel ODS-100V (4.6 x 250mm, 5 micrometre; TOSOH) reverse phase 190-950 nm 2 nm Mass spectrometry positive 100.0-1500.0 LTQ-Orbitrap XL (Thermo Fisher Scientific) ESI LTQ-Orbitrap S12_M01 raw/MDLC1_43510.RAW raw/MDLC1_43510.mzXML Data processing Metabolite identification 34S-labeled Medicago truncatula Jemalong A17 shoot Medicago truncatula 3880 1 Jemalong A17 shoot 34S-labeled SAMD00519862 34S-labeled Medicago truncatula Jemalong A17 shoot S13 Sample collection 5 S13 Extraction S13 Chromatography Agilent 1200 HPLC (Agilent Technologies) TSKgel ODS-100V (4.6 x 250mm, 5 micrometre; TOSOH) reverse phase 190-950 nm 2 nm Mass spectrometry positive 100.0-1500.0 LTQ-Orbitrap XL (Thermo Fisher Scientific) ESI LTQ-Orbitrap S13_M01 raw/MDLC1_43511.RAW raw/MDLC1_43511.mzXML Data processing Metabolite identification 34S-labeled Medicago truncatula Jemalong A17 shoot Medicago truncatula 3880 2 Jemalong A17 shoot 34S-labeled SAMD00519863 34S-labeled Medicago truncatula Jemalong A17 shoot S14 Sample collection 5 S14 Extraction S14 Chromatography Agilent 1200 HPLC (Agilent Technologies) TSKgel ODS-100V (4.6 x 250mm, 5 micrometre; TOSOH) reverse phase 190-950 nm 2 nm Mass spectrometry positive 100.0-1500.0 LTQ-Orbitrap XL (Thermo Fisher Scientific) ESI LTQ-Orbitrap S14_M01 raw/MDLC1_43512.RAW raw/MDLC1_43512.mzXML Data processing Metabolite identification 34S-labeled Medicago truncatula Jemalong A17 shoot Medicago truncatula 3880 3 Jemalong A17 shoot 34S-labeled SAMD00519864 34S-labeled Medicago truncatula Jemalong A17 shoot S15 Sample collection 5 S15 Extraction S15 Chromatography Agilent 1200 HPLC (Agilent Technologies) TSKgel ODS-100V (4.6 x 250mm, 5 micrometre; TOSOH) reverse phase 190-950 nm 2 nm Mass spectrometry positive 100.0-1500.0 LTQ-Orbitrap XL (Thermo Fisher Scientific) ESI LTQ-Orbitrap S15_M01 raw/MDLC1_43513.RAW raw/MDLC1_43513.mzXML Data processing Metabolite identification Blank blank sample 2582415 SAMD00519865 Blank Sample collection 6 S16 Extraction S16 Chromatography Agilent 1200 HPLC (Agilent Technologies) TSKgel ODS-100V (4.6 x 250mm, 5 micrometre; TOSOH) reverse phase 190-950 nm 2 nm Mass spectrometry positive 100.0-1500.0 LTQ-Orbitrap XL (Thermo Fisher Scientific) ESI LTQ-Orbitrap S16_M01 1 raw/MDLC1_43484.RAW raw/MDLC1_43484.mzXML Data processing Metabolite identification Blank blank sample 2582415 SAMD00519865 Blank Sample collection 6 S16 Extraction S16 Chromatography Agilent 1200 HPLC (Agilent Technologies) TSKgel ODS-100V (4.6 x 250mm, 5 micrometre; TOSOH) reverse phase 190-950 nm 2 nm Mass spectrometry positive 100.0-1500.0 LTQ-Orbitrap XL (Thermo Fisher Scientific) ESI LTQ-Orbitrap S16_M02 2 raw/MDLC1_43485.RAW raw/MDLC1_43485.mzXML Data processing Metabolite identification Blank blank sample 2582415 SAMD00519865 Blank Sample collection 6 S16 Extraction S16 Chromatography Agilent 1200 HPLC (Agilent Technologies) TSKgel ODS-100V (4.6 x 250mm, 5 micrometre; TOSOH) reverse phase 190-950 nm 2 nm Mass spectrometry positive 100.0-1500.0 LTQ-Orbitrap XL (Thermo Fisher Scientific) ESI LTQ-Orbitrap S16_M03 3 raw/MDLC1_43486.RAW raw/MDLC1_43486.mzXML Data processing Metabolite identification