Source Name	Characteristics[organism]	Characteristics[taxonomy_id]	Characteristics[strain]	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	Processed Data File	Processed Data File	Metabolite Assignment File	Comment[maf_value_unit]
Synechocystis sp. PCC6803	Synechocystis sp. PCC 6803	1148	PCC 6803	SAMD00519637	Synechocystis sp. PCC6803	Sample collection	S01	Extraction	20 microL of the supernatant (300 microL) is injected into HPLC after 0.2 micrometre membrane filter treatment.		S01	Chromatography	Agilent 1200 HPLC (Agilent Technologies)		TSKgel Amide-80 (4.6 x 250 mm, 5 micrometer; TOSOH)	normal phase			200-600 nm	2 nm			Mass spectrometry	positive	150.0-2000.0	LTQ-Orbitrap XL (Thermo Fisher Scientific)	ESI	LTQ-Orbitrap	S01_M01	1	raw/MDLC1_18903.RAW	raw/MDLC1_18903.mzXML	Data processing	processed/SE6_S01_M01_D02.info.txt	Metabolite identification	processed/SE6_S01_M01_D02.peak-table.txt	processed/SE6_S01_M01_D02.msn-list.txt		
Synechocystis sp. PCC6803	Synechocystis sp. PCC 6803	1148	PCC 6803	SAMD00519637	Synechocystis sp. PCC6803	Sample collection	S01	Extraction	20 microL of the supernatant (300 microL) is injected into HPLC after 0.2 micrometre membrane filter treatment.		S01	Chromatography	Agilent 1200 HPLC (Agilent Technologies)		TSKgel Amide-80 (4.6 x 250 mm, 5 micrometer; TOSOH)	normal phase			200-600 nm	2 nm			Mass spectrometry	positive	150.0-2000.0	LTQ-Orbitrap XL (Thermo Fisher Scientific)	ESI	LTQ-Orbitrap	S01_M02	2	raw/MDLC1_18904.RAW	raw/MDLC1_18904.mzXML	Data processing	processed/SE6_S01_M02_D02.info.txt	Metabolite identification	processed/SE6_S01_M02_D02.peak-table.txt	processed/SE6_S01_M02_D02.msn-list.txt		
Synechocystis sp. PCC6803	Synechocystis sp. PCC 6803	1148	PCC 6803	SAMD00519637	Synechocystis sp. PCC6803	Sample collection	S01	Extraction	20 microL of the supernatant (300 microL) is injected into HPLC after 0.2 micrometre membrane filter treatment.		S01	Chromatography	Agilent 1200 HPLC (Agilent Technologies)		TSKgel Amide-80 (4.6 x 250 mm, 5 micrometer; TOSOH)	normal phase			200-600 nm	2 nm			Mass spectrometry	positive	150.0-2000.0	LTQ-Orbitrap XL (Thermo Fisher Scientific)	ESI	LTQ-Orbitrap	S01_M03	3	raw/MDLC1_18905.RAW	raw/MDLC1_18905.mzXML	Data processing	processed/SE6_S01_M03_D02.info.txt	Metabolite identification	processed/SE6_S01_M03_D02.peak-table.txt	processed/SE6_S01_M03_D02.msn-list.txt		
