#METABOLOMICS WORKBENCH ChristosTheo_20250822_055221 DATATRACK_ID:6324 STUDY_ID:ST004151 ANALYSIS_ID:AN006887 PROJECT_ID:PR002615
VERSION             	1
CREATED_ON             	August 27, 2025, 12:22 pm
#PROJECT
PR:PROJECT_TITLE                 	Development of plant extracts as substrates for untargeted transporter substrate
PR:PROJECT_TITLE                 	identification in Xenopus oocytes
PR:PROJECT_TYPE                  	Research article
PR:PROJECT_SUMMARY               	Amongst the thousands of transport proteins constituting approximately 10% of
PR:PROJECT_SUMMARY               	coding sequences in a genome, only few have an assigned function. Heterologous
PR:PROJECT_SUMMARY               	expression of transporters in combination with the use of plant extracts as
PR:PROJECT_SUMMARY               	complex mixtures of substrates can be a powerful tool for untargeted
PR:PROJECT_SUMMARY               	identification of plant transporter functionality. In this study, we developed
PR:PROJECT_SUMMARY               	and evaluated four extraction protocols to generate Arabidopsis thaliana
PR:PROJECT_SUMMARY               	seedling extracts for use as substrate mixtures in high-throughput screening of
PR:PROJECT_SUMMARY               	transporters expressed in Xenopus laevis oocytes, a well-established system for
PR:PROJECT_SUMMARY               	transporter studies. Our study highlights the importance of developing
PR:PROJECT_SUMMARY               	metabolically diverse yet low-toxicity plant extracts as a critical step toward
PR:PROJECT_SUMMARY               	advancing plant transporter substrate screening. The optimized extraction
PR:PROJECT_SUMMARY               	protocol in combination with X. laevis oocyte assays provide a robust platform
PR:PROJECT_SUMMARY               	for the functional characterization of plant transporters, paving the way for
PR:PROJECT_SUMMARY               	deeper insights into plant physiology and metabolism.
PR:INSTITUTE                     	University of Copenhagen
PR:DEPARTMENT                    	Plant Molecular Biology
PR:LAST_NAME                     	Theodorou
PR:FIRST_NAME                    	Christos
PR:ADDRESS                       	Thorvaldsensvej 40, Copenhagen, Frederiksberg C, 1871, Denmark
PR:EMAIL                         	ctheodot@plen.ku.dk
PR:PHONE                         	52630800
PR:FUNDING_SOURCE                	The present work was supported by The Villum Foundation (#37798) grant awarded
PR:FUNDING_SOURCE                	to Villum Investigator Professor Barbara Ann Halkier.
#STUDY
ST:STUDY_TITLE                   	Development of plant extracts as substrates for untargeted transporter substrate
ST:STUDY_TITLE                   	identification in Xenopus oocytes
ST:STUDY_SUMMARY                 	To expand chemical space of plant extracts for transporter assay, we prepared
ST:STUDY_SUMMARY                 	Arabidopsis seedlings extracts from liquid culture-grown plants subjected to
ST:STUDY_SUMMARY                 	biotic stress (flagellin 22 and chitin treatments to mimic bacterial and fungal
ST:STUDY_SUMMARY                 	infections) and abiotic stress (phosphorus and nitrogen starvation). Extracts
ST:STUDY_SUMMARY                 	from these treatments were characterized and subsequently combined into a single
ST:STUDY_SUMMARY                 	metabolic mixture to capture treatment-specific metabolites and expand the
ST:STUDY_SUMMARY                 	metabolic space. Toxicity testing of the pooled extract against X. laevis
ST:STUDY_SUMMARY                 	oocytes revealed that a liquid-liquid extraction protocol, facilitating
ST:STUDY_SUMMARY                 	lipophilic compound removal, outperformed single solvent extractions in terms of
ST:STUDY_SUMMARY                 	metabolite repeatability and reduced membrane permeation. Metabolite profiling
ST:STUDY_SUMMARY                 	of the final extract using pure standards, structural databases, and in-silico
ST:STUDY_SUMMARY                 	tools identified over 200 metabolites. Our study highlights the importance of
ST:STUDY_SUMMARY                 	developing metabolically diverse yet low-toxicity plant extracts as a critical
ST:STUDY_SUMMARY                 	step toward advancing plant transporter substrate screening. The optimized
ST:STUDY_SUMMARY                 	extraction protocol in combination with X. laevis oocyte assays, provide a
ST:STUDY_SUMMARY                 	robust platform for the functional characterization of plant transporters,
ST:STUDY_SUMMARY                 	paving the way for deeper insights into plant physiology and metabolism.
ST:INSTITUTE                     	University of Copenhagen
ST:DEPARTMENT                    	Plant Molecular Biology
ST:LAST_NAME                     	Theodorou
ST:FIRST_NAME                    	Christos
ST:ADDRESS                       	Thorvaldsensvej 40, Frederiksberg C
ST:EMAIL                         	ctheodot@plen.ku.dk
ST:PHONE                         	+4552630800
#SUBJECT
SU:SUBJECT_TYPE                  	Plant
SU:SUBJECT_SPECIES               	Arabidopsis thaliana
SU:GENDER                        	Not applicable
SU:SPECIES_GROUP                 	Treated and untreated plants
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data
SUBJECT_SAMPLE_FACTORS           	Sample	01-CT240125-EA-REP1 pos_RB1_01_44073_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:1 | Extraction Protocol:A	RAW_FILE_NAME(Raw file name)=01-CT240125-EA-REP1 pos_RB1_01_44073.d; Modified File Name=01-CT240125-EA-REP1 pos_RB1_01_44073_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	01-CT240125-EA-REP1 pos_RB1_01_44483_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:2 | Extraction Protocol:A	RAW_FILE_NAME(Raw file name)=01-CT240125-EA-REP1 pos_RB1_01_44483.d; Modified File Name=01-CT240125-EA-REP1 pos_RB1_01_44483_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	01-CT240503-EA-REP1 pos_RB1_01_46288_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:3 | Extraction Protocol:A	RAW_FILE_NAME(Raw file name)=01-CT240503-EA-REP1 pos_RB1_01_46288.d; Modified File Name=01-CT240503-EA-REP1 pos_RB1_01_46288_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	02-CT240125-EA-REP2 pos_RB2_01_44072_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:1 | Extraction Protocol:A	RAW_FILE_NAME(Raw file name)=02-CT240125-EA-REP2 pos_RB2_01_44072.d; Modified File Name=02-CT240125-EA-REP2 pos_RB2_01_44072_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	02-CT240125-EA-REP2 pos_RB2_01_44482_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:2 | Extraction Protocol:A	RAW_FILE_NAME(Raw file name)=02-CT240125-EA-REP2 pos_RB2_01_44482.d; Modified File Name=02-CT240125-EA-REP2 pos_RB2_01_44482_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	02-CT240503-EA-REP2 pos_RB2_01_46272_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:3 | Extraction Protocol:A	RAW_FILE_NAME(Raw file name)=02-CT240503-EA-REP2 pos_RB2_01_46272.d; Modified File Name=02-CT240503-EA-REP2 pos_RB2_01_46272_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	03-CT240125-EA-REP3 pos_RB3_01_44071_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:1 | Extraction Protocol:A	RAW_FILE_NAME(Raw file name)=03-CT240125-EA-REP3 pos_RB3_01_44071.d; Modified File Name=03-CT240125-EA-REP3 pos_RB3_01_44071_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	03-CT240125-EA-REP3 pos_RB3_01_44481_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:2 | Extraction Protocol:A	RAW_FILE_NAME(Raw file name)=03-CT240125-EA-REP3 pos_RB3_01_44481.d; Modified File Name=03-CT240125-EA-REP3 pos_RB3_01_44481_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	03-CT240503-EA-REP3 pos_RB3_01_46270_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:3 | Extraction Protocol:A	RAW_FILE_NAME(Raw file name)=03-CT240503-EA-REP3 pos_RB3_01_46270.d; Modified File Name=03-CT240503-EA-REP3 pos_RB3_01_46270_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	04-CT240125-EA-REP4 pos_RB4_01_44063_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:1 | Extraction Protocol:A	RAW_FILE_NAME(Raw file name)=04-CT240125-EA-REP4 pos_RB4_01_44063.d; Modified File Name=04-CT240125-EA-REP4 pos_RB4_01_44063_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	04-CT240125-EA-REP4 pos_RB4_01_44473_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:2 | Extraction Protocol:A	RAW_FILE_NAME(Raw file name)=04-CT240125-EA-REP4 pos_RB4_01_44473.d; Modified File Name=04-CT240125-EA-REP4 pos_RB4_01_44473_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	04-CT240503-EA-REP4 pos_RB4_01_46282_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:3 | Extraction Protocol:A	RAW_FILE_NAME(Raw file name)=04-CT240503-EA-REP4 pos_RB4_01_46282.d; Modified File Name=04-CT240503-EA-REP4 pos_RB4_01_46282_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	05-CT240125-EA-REP5 pos_RB5_01_44057_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:1 | Extraction Protocol:A	RAW_FILE_NAME(Raw file name)=05-CT240125-EA-REP5 pos_RB5_01_44057.d; Modified File Name=05-CT240125-EA-REP5 pos_RB5_01_44057_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	05-CT240125-EA-REP5 pos_RB5_01_44467_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:2 | Extraction Protocol:A	RAW_FILE_NAME(Raw file name)=05-CT240125-EA-REP5 pos_RB5_01_44467.d; Modified File Name=05-CT240125-EA-REP5 pos_RB5_01_44467_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	05-CT240503-EA-REP5 pos_RB5_01_46267_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:3 | Extraction Protocol:A	RAW_FILE_NAME(Raw file name)=05-CT240503-EA-REP5 pos_RB5_01_46267.d; Modified File Name=05-CT240503-EA-REP5 pos_RB5_01_46267_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	01-CT240125-EA-REP1 neg_RB1_01_44110_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:1 | Extraction Protocol:A	RAW_FILE_NAME(Raw file name)=01-CT240125-EA-REP1 neg_RB1_01_44110.d; Modified File Name=01-CT240125-EA-REP1 neg_RB1_01_44110_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	01-CT240125-EA-REP1 neg_RB1_01_44520_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:2 | Extraction Protocol:A	RAW_FILE_NAME(Raw file name)=01-CT240125-EA-REP1 neg_RB1_01_44520.d; Modified File Name=01-CT240125-EA-REP1 neg_RB1_01_44520_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	01-CT240503-EA-REP1 neg_RB1_01_46322_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:3 | Extraction Protocol:A	RAW_FILE_NAME(Raw file name)=01-CT240503-EA-REP1 neg_RB1_01_46322.d; Modified File Name=01-CT240503-EA-REP1 neg_RB1_01_46322_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	02-CT240125-EA-REP2 neg_RB2_01_44109_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:1 | Extraction Protocol:A	RAW_FILE_NAME(Raw file name)=02-CT240125-EA-REP2 neg_RB2_01_44109.d; Modified File Name=02-CT240125-EA-REP2 neg_RB2_01_44109_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	02-CT240125-EA-REP2 neg_RB2_01_44519_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:2 | Extraction Protocol:A	RAW_FILE_NAME(Raw file name)=02-CT240125-EA-REP2 neg_RB2_01_44519.d; Modified File Name=02-CT240125-EA-REP2 neg_RB2_01_44519_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	02-CT240503-EA-REP2 neg_RB2_01_46312_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:3 | Extraction Protocol:A	RAW_FILE_NAME(Raw file name)=02-CT240503-EA-REP2 neg_RB2_01_46312.d; Modified File Name=02-CT240503-EA-REP2 neg_RB2_01_46312_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	03-CT240125-EA-REP3 neg_RB3_01_44118_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:1 | Extraction Protocol:A	RAW_FILE_NAME(Raw file name)=03-CT240125-EA-REP3 neg_RB3_01_44118.d; Modified File Name=03-CT240125-EA-REP3 neg_RB3_01_44118_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	03-CT240125-EA-REP3 neg_RB3_01_44528_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:2 | Extraction Protocol:A	RAW_FILE_NAME(Raw file name)=03-CT240125-EA-REP3 neg_RB3_01_44528.d; Modified File Name=03-CT240125-EA-REP3 neg_RB3_01_44528_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	03-CT240503-EA-REP3 neg_RB3_01_46333_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:3 | Extraction Protocol:A	RAW_FILE_NAME(Raw file name)=03-CT240503-EA-REP3 neg_RB3_01_46333.d; Modified File Name=03-CT240503-EA-REP3 neg_RB3_01_46333_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	04-CT240125-EA-REP4 neg_RB4_01_44122_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:1 | Extraction Protocol:A	RAW_FILE_NAME(Raw file name)=04-CT240125-EA-REP4 neg_RB4_01_44122.d; Modified File Name=04-CT240125-EA-REP4 neg_RB4_01_44122_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	04-CT240125-EA-REP4 neg_RB4_01_44532_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:2 | Extraction Protocol:A	RAW_FILE_NAME(Raw file name)=04-CT240125-EA-REP4 neg_RB4_01_44532.d; Modified File Name=04-CT240125-EA-REP4 neg_RB4_01_44532_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	04-CT240503-EA-REP4 neg_RB4_01_46332_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:3 | Extraction Protocol:A	RAW_FILE_NAME(Raw file name)=04-CT240503-EA-REP4 neg_RB4_01_46332.d; Modified File Name=04-CT240503-EA-REP4 neg_RB4_01_46332_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	05-CT240125-EA-REP5 neg_RB5_01_44107_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:1 | Extraction Protocol:A	RAW_FILE_NAME(Raw file name)=05-CT240125-EA-REP5 neg_RB5_01_44107.d; Modified File Name=05-CT240125-EA-REP5 neg_RB5_01_44107_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	05-CT240125-EA-REP5 neg_RB5_01_44517_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:2 | Extraction Protocol:A	RAW_FILE_NAME(Raw file name)=05-CT240125-EA-REP5 neg_RB5_01_44517.d; Modified File Name=05-CT240125-EA-REP5 neg_RB5_01_44517_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	05-CT240503-EA-REP5 neg_RB5_01_46319_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:3 | Extraction Protocol:A	RAW_FILE_NAME(Raw file name)=05-CT240503-EA-REP5 neg_RB5_01_46319.d; Modified File Name=05-CT240503-EA-REP5 neg_RB5_01_46319_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	06-CT240125-EB-REP1 pos_RB6_01_44059_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:1 | Extraction Protocol:B	RAW_FILE_NAME(Raw file name)=06-CT240125-EB-REP1 pos_RB6_01_44059.d; Modified File Name=06-CT240125-EB-REP1 pos_RB6_01_44059_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	06-CT240125-EB-REP1 pos_RB6_01_44469_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:2 | Extraction Protocol:B	RAW_FILE_NAME(Raw file name)=06-CT240125-EB-REP1 pos_RB6_01_44469.d; Modified File Name=06-CT240125-EB-REP1 pos_RB6_01_44469_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	06-CT240503-EB-REP1 pos_RB6_01_46277_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:3 | Extraction Protocol:B	RAW_FILE_NAME(Raw file name)=06-CT240503-EB-REP1 pos_RB6_01_46277.d; Modified File Name=06-CT240503-EB-REP1 pos_RB6_01_46277_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	07-CT240125-EB-REP2 pos_RB7_01_44054_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:1 | Extraction Protocol:B	RAW_FILE_NAME(Raw file name)=07-CT240125-EB-REP2 pos_RB7_01_44054.d; Modified File Name=07-CT240125-EB-REP2 pos_RB7_01_44054_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	07-CT240125-EB-REP2re pos_RB7_01_44464_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:2 | Extraction Protocol:B	RAW_FILE_NAME(Raw file name)=07-CT240125-EB-REP2re pos_RB7_01_44464.d; Modified File Name=07-CT240125-EB-REP2re pos_RB7_01_44464_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	07-CT240503-EB-REP2 pos_RB7_01_46275_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:3 | Extraction Protocol:B	RAW_FILE_NAME(Raw file name)=07-CT240503-EB-REP2 pos_RB7_01_46275.d; Modified File Name=07-CT240503-EB-REP2 pos_RB7_01_46275_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	08-CT240125-EB-REP3 pos_RB8_01_44074_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:1 | Extraction Protocol:B	RAW_FILE_NAME(Raw file name)=08-CT240125-EB-REP3 pos_RB8_01_44074.d; Modified File Name=08-CT240125-EB-REP3 pos_RB8_01_44074_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	08-CT240125-EB-REP3 pos_RB8_01_44484_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:2 | Extraction Protocol:B	RAW_FILE_NAME(Raw file name)=08-CT240125-EB-REP3 pos_RB8_01_44484.d; Modified File Name=08-CT240125-EB-REP3 pos_RB8_01_44484_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	08-CT240503-EB-REP3 pos_RB8_01_46281_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:3 | Extraction Protocol:B	RAW_FILE_NAME(Raw file name)=08-CT240503-EB-REP3 pos_RB8_01_46281.d; Modified File Name=08-CT240503-EB-REP3 pos_RB8_01_46281_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	09-CT240125-EB-REP4 pos_RC1_01_44067_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:1 | Extraction Protocol:B	RAW_FILE_NAME(Raw file name)=09-CT240125-EB-REP4 pos_RC1_01_44067.d; Modified File Name=09-CT240125-EB-REP4 pos_RC1_01_44067_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	09-CT240125-EB-REP4 pos_RC1_01_44477_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:2 | Extraction Protocol:B	RAW_FILE_NAME(Raw file name)=09-CT240125-EB-REP4 pos_RC1_01_44477.d; Modified File Name=09-CT240125-EB-REP4 pos_RC1_01_44477_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	09-CT240503-EB-REP4 pos_RC1_01_46274_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:3 | Extraction Protocol:B	RAW_FILE_NAME(Raw file name)=09-CT240503-EB-REP4 pos_RC1_01_46274.d; Modified File Name=09-CT240503-EB-REP4 pos_RC1_01_46274_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	10-CT240125-EB-REP5 pos_RC2_01_44055_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:1 | Extraction Protocol:B	RAW_FILE_NAME(Raw file name)=10-CT240125-EB-REP5 pos_RC2_01_44055.d; Modified File Name=10-CT240125-EB-REP5 pos_RC2_01_44055_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	10-CT240125-EB-REP5re pos_RC2_01_44465_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:2 | Extraction Protocol:B	RAW_FILE_NAME(Raw file name)=10-CT240125-EB-REP5re pos_RC2_01_44465.d; Modified File Name=10-CT240125-EB-REP5re pos_RC2_01_44465_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	10-CT240503-EB-REP5 pos_RC2_01_46291_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:3 | Extraction Protocol:B	RAW_FILE_NAME(Raw file name)=10-CT240503-EB-REP5 pos_RC2_01_46291.d; Modified File Name=10-CT240503-EB-REP5 pos_RC2_01_46291_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	06-CT240125-EB-REP1 neg_RB6_01_44124_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:1 | Extraction Protocol:B	RAW_FILE_NAME(Raw file name)=06-CT240125-EB-REP1 neg_RB6_01_44124.d; Modified File Name=06-CT240125-EB-REP1 neg_RB6_01_44124_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	06-CT240125-EB-REP1 neg_RB6_01_44534_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:2 | Extraction Protocol:B	RAW_FILE_NAME(Raw file name)=06-CT240125-EB-REP1 neg_RB6_01_44534.d; Modified File Name=06-CT240125-EB-REP1 neg_RB6_01_44534_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	06-CT240503-EB-REP1 neg_RB6_01_46324_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:3 | Extraction Protocol:B	RAW_FILE_NAME(Raw file name)=06-CT240503-EB-REP1 neg_RB6_01_46324.d; Modified File Name=06-CT240503-EB-REP1 neg_RB6_01_46324_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	07-CT240125-EB-REP2 neg_RB7_01_44111_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:1 | Extraction Protocol:B	RAW_FILE_NAME(Raw file name)=07-CT240125-EB-REP2 neg_RB7_01_44111.d; Modified File Name=07-CT240125-EB-REP2 neg_RB7_01_44111_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	07-CT240125-EB-REP2 neg_RB7_01_44521_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:2 | Extraction Protocol:B	RAW_FILE_NAME(Raw file name)=07-CT240125-EB-REP2 neg_RB7_01_44521.d; Modified File Name=07-CT240125-EB-REP2 neg_RB7_01_44521_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	07-CT240503-EB-REP2 neg_RB7_01_46329_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:3 | Extraction Protocol:B	RAW_FILE_NAME(Raw file name)=07-CT240503-EB-REP2 neg_RB7_01_46329.d; Modified File Name=07-CT240503-EB-REP2 neg_RB7_01_46329_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	08-CT240125-EB-REP3 neg_RB8_01_44120_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:1 | Extraction Protocol:B	RAW_FILE_NAME(Raw file name)=08-CT240125-EB-REP3 neg_RB8_01_44120.d; Modified File Name=08-CT240125-EB-REP3 neg_RB8_01_44120_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	08-CT240125-EB-REP3 neg_RB8_01_44530_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:2 | Extraction Protocol:B	RAW_FILE_NAME(Raw file name)=08-CT240125-EB-REP3 neg_RB8_01_44530.d; Modified File Name=08-CT240125-EB-REP3 neg_RB8_01_44530_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	08-CT240503-EB-REP3 neg_RB8_01_46316_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:3 | Extraction Protocol:B	RAW_FILE_NAME(Raw file name)=08-CT240503-EB-REP3 neg_RB8_01_46316.d; Modified File Name=08-CT240503-EB-REP3 neg_RB8_01_46316_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	09-CT240125-EB-REP4 neg_RC1_01_44123_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:1 | Extraction Protocol:B	RAW_FILE_NAME(Raw file name)=09-CT240125-EB-REP4 neg_RC1_01_44123.d; Modified File Name=09-CT240125-EB-REP4 neg_RC1_01_44123_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	09-CT240125-EB-REP4 neg_RC1_01_44533_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:2 | Extraction Protocol:B	RAW_FILE_NAME(Raw file name)=09-CT240125-EB-REP4 neg_RC1_01_44533.d; Modified File Name=09-CT240125-EB-REP4 neg_RC1_01_44533_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	09-CT240503-EB-REP4 neg_RC1_01_46308_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:3 | Extraction Protocol:B	RAW_FILE_NAME(Raw file name)=09-CT240503-EB-REP4 neg_RC1_01_46308.d; Modified File Name=09-CT240503-EB-REP4 neg_RC1_01_46308_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	10-CT240125-EB-REP5 neg_RC2_01_44114_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:1 | Extraction Protocol:B	RAW_FILE_NAME(Raw file name)=10-CT240125-EB-REP5 neg_RC2_01_44114.d; Modified File Name=10-CT240125-EB-REP5 neg_RC2_01_44114_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	10-CT240125-EB-REP5 neg_RC2_01_44524_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:2 | Extraction Protocol:B	RAW_FILE_NAME(Raw file name)=10-CT240125-EB-REP5 neg_RC2_01_44524.d; Modified File Name=10-CT240125-EB-REP5 neg_RC2_01_44524_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	10-CT240503-EB-REP5 neg_RC2_01_46326_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:3 | Extraction Protocol:B	RAW_FILE_NAME(Raw file name)=10-CT240503-EB-REP5 neg_RC2_01_46326.d; Modified File Name=10-CT240503-EB-REP5 neg_RC2_01_46326_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	11-CT240125-EC-REP1 pos_RC3_01_44053_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:1 | Extraction Protocol:C	RAW_FILE_NAME(Raw file name)=11-CT240125-EC-REP1 pos_RC3_01_44053.d; Modified File Name=11-CT240125-EC-REP1 pos_RC3_01_44053_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	11-CT240125-EC-REP1re pos_RC3_01_44463_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:2 | Extraction Protocol:C	RAW_FILE_NAME(Raw file name)=11-CT240125-EC-REP1re pos_RC3_01_44463.d; Modified File Name=11-CT240125-EC-REP1re pos_RC3_01_44463_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	11-CT240503-EC-REP1 pos_RC3_01_46284_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:3 | Extraction Protocol:C	RAW_FILE_NAME(Raw file name)=11-CT240503-EC-REP1 pos_RC3_01_46284.d; Modified File Name=11-CT240503-EC-REP1 pos_RC3_01_46284_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	12-CT240125-EC-REP2 pos_RC4_01_44062_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:1 | Extraction Protocol:C	RAW_FILE_NAME(Raw file name)=12-CT240125-EC-REP2 pos_RC4_01_44062.d; Modified File Name=12-CT240125-EC-REP2 pos_RC4_01_44062_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	12-CT240125-EC-REP2 pos_RC4_01_44472_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:2 | Extraction Protocol:C	RAW_FILE_NAME(Raw file name)=12-CT240125-EC-REP2 pos_RC4_01_44472.d; Modified File Name=12-CT240125-EC-REP2 pos_RC4_01_44472_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	12-CT240503-EC-REP2 pos_RC4_01_46286_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:3 | Extraction Protocol:C	RAW_FILE_NAME(Raw file name)=12-CT240503-EC-REP2 pos_RC4_01_46286.d; Modified File Name=12-CT240503-EC-REP2 pos_RC4_01_46286_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	13-CT240125-EC-REP3 pos_RC5_01_44060_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:1 | Extraction Protocol:C	RAW_FILE_NAME(Raw file name)=13-CT240125-EC-REP3 pos_RC5_01_44060.d; Modified File Name=13-CT240125-EC-REP3 pos_RC5_01_44060_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	13-CT240125-EC-REP3 pos_RC5_01_44470_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:2 | Extraction Protocol:C	RAW_FILE_NAME(Raw file name)=13-CT240125-EC-REP3 pos_RC5_01_44470.d; Modified File Name=13-CT240125-EC-REP3 pos_RC5_01_44470_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	13-CT240503-EC-REP3 pos_RC5_01_46279_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:3 | Extraction Protocol:C	RAW_FILE_NAME(Raw file name)=13-CT240503-EC-REP3 pos_RC5_01_46279.d; Modified File Name=13-CT240503-EC-REP3 pos_RC5_01_46279_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	14-CT240125-EC-REP4 pos_RC6_01_44056_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:1 | Extraction Protocol:C	RAW_FILE_NAME(Raw file name)=14-CT240125-EC-REP4 pos_RC6_01_44056.d; Modified File Name=14-CT240125-EC-REP4 pos_RC6_01_44056_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	14-CT240125-EC-REP4 pos_RC6_01_44466_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:2 | Extraction Protocol:C	RAW_FILE_NAME(Raw file name)=14-CT240125-EC-REP4 pos_RC6_01_44466.d; Modified File Name=14-CT240125-EC-REP4 pos_RC6_01_44466_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	14-CT240503-EC-REP4 pos_RC6_01_46285_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:3 | Extraction Protocol:C	RAW_FILE_NAME(Raw file name)=14-CT240503-EC-REP4 pos_RC6_01_46285.d; Modified File Name=14-CT240503-EC-REP4 pos_RC6_01_46285_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	15-CT240125-EC-REP5 pos_RC7_01_44070_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:1 | Extraction Protocol:C	RAW_FILE_NAME(Raw file name)=15-CT240125-EC-REP5 pos_RC7_01_44070.d; Modified File Name=15-CT240125-EC-REP5 pos_RC7_01_44070_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	15-CT240125-EC-REP5 pos_RC7_01_44480_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:2 | Extraction Protocol:C	RAW_FILE_NAME(Raw file name)=15-CT240125-EC-REP5 pos_RC7_01_44480.d; Modified File Name=15-CT240125-EC-REP5 pos_RC7_01_44480_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	15-CT240503-EC-REP5 pos_RC7_01_46269_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:3 | Extraction Protocol:C	RAW_FILE_NAME(Raw file name)=15-CT240503-EC-REP5 pos_RC7_01_46269.d; Modified File Name=15-CT240503-EC-REP5 pos_RC7_01_46269_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	11-CT240125-EC-REP1 neg_RC3_01_44127_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:1 | Extraction Protocol:C	RAW_FILE_NAME(Raw file name)=11-CT240125-EC-REP1 neg_RC3_01_44127.d; Modified File Name=11-CT240125-EC-REP1 neg_RC3_01_44127_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	11-CT240125-EC-REP1 neg_RC3_01_44537_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:2 | Extraction Protocol:C	RAW_FILE_NAME(Raw file name)=11-CT240125-EC-REP1 neg_RC3_01_44537.d; Modified File Name=11-CT240125-EC-REP1 neg_RC3_01_44537_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	11-CT240503-EC-REP1 neg_RC3_01_46311_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:3 | Extraction Protocol:C	RAW_FILE_NAME(Raw file name)=11-CT240503-EC-REP1 neg_RC3_01_46311.d; Modified File Name=11-CT240503-EC-REP1 neg_RC3_01_46311_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	12-CT240125-EC-REP2 neg_RC4_01_44112_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:1 | Extraction Protocol:C	RAW_FILE_NAME(Raw file name)=12-CT240125-EC-REP2 neg_RC4_01_44112.d; Modified File Name=12-CT240125-EC-REP2 neg_RC4_01_44112_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	12-CT240125-EC-REP2 neg_RC4_01_44522_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:2 | Extraction Protocol:C	RAW_FILE_NAME(Raw file name)=12-CT240125-EC-REP2 neg_RC4_01_44522.d; Modified File Name=12-CT240125-EC-REP2 neg_RC4_01_44522_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	12-CT240503-EC-REP2 neg_RC4_01_46331_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:3 | Extraction Protocol:C	RAW_FILE_NAME(Raw file name)=12-CT240503-EC-REP2 neg_RC4_01_46331.d; Modified File Name=12-CT240503-EC-REP2 neg_RC4_01_46331_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	13-CT240125-EC-REP3 neg_RC5_01_44125_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:1 | Extraction Protocol:C	RAW_FILE_NAME(Raw file name)=13-CT240125-EC-REP3 neg_RC5_01_44125.d; Modified File Name=13-CT240125-EC-REP3 neg_RC5_01_44125_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	13-CT240125-EC-REP3 neg_RC5_01_44535_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:2 | Extraction Protocol:C	RAW_FILE_NAME(Raw file name)=13-CT240125-EC-REP3 neg_RC5_01_44535.d; Modified File Name=13-CT240125-EC-REP3 neg_RC5_01_44535_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	13-CT240503-EC-REP3 neg_RC5_01_46323_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:3 | Extraction Protocol:C	RAW_FILE_NAME(Raw file name)=13-CT240503-EC-REP3 neg_RC5_01_46323.d; Modified File Name=13-CT240503-EC-REP3 neg_RC5_01_46323_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	14-CT240125-EC-REP4 neg_RC6_01_44119_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:1 | Extraction Protocol:C	RAW_FILE_NAME(Raw file name)=14-CT240125-EC-REP4 neg_RC6_01_44119.d; Modified File Name=14-CT240125-EC-REP4 neg_RC6_01_44119_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	14-CT240125-EC-REP4 neg_RC6_01_44529_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:2 | Extraction Protocol:C	RAW_FILE_NAME(Raw file name)=14-CT240125-EC-REP4 neg_RC6_01_44529.d; Modified File Name=14-CT240125-EC-REP4 neg_RC6_01_44529_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	14-CT240503-EC-REP4 neg_RC6_01_46313_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:3 | Extraction Protocol:C	RAW_FILE_NAME(Raw file name)=14-CT240503-EC-REP4 neg_RC6_01_46313.d; Modified File Name=14-CT240503-EC-REP4 neg_RC6_01_46313_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	15-CT240125-EC-REP5 neg_RC7_01_44106_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:1 | Extraction Protocol:C	RAW_FILE_NAME(Raw file name)=15-CT240125-EC-REP5 neg_RC7_01_44106.d; Modified File Name=15-CT240125-EC-REP5 neg_RC7_01_44106_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	15-CT240125-EC-REP5 neg_RC7_01_44516_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:2 | Extraction Protocol:C	RAW_FILE_NAME(Raw file name)=15-CT240125-EC-REP5 neg_RC7_01_44516.d; Modified File Name=15-CT240125-EC-REP5 neg_RC7_01_44516_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	15-CT240503-EC-REP5 neg_RC7_01_46327_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:3 | Extraction Protocol:C	RAW_FILE_NAME(Raw file name)=15-CT240503-EC-REP5 neg_RC7_01_46327.d; Modified File Name=15-CT240503-EC-REP5 neg_RC7_01_46327_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	16-CT240125-ED-REP1 pos_RC8_01_44068_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:1 | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=16-CT240125-ED-REP1 pos_RC8_01_44068.d; Modified File Name=16-CT240125-ED-REP1 pos_RC8_01_44068_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	16-CT240125-ED-REP1 pos_RC8_01_44478_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:2 | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=16-CT240125-ED-REP1 pos_RC8_01_44478.d; Modified File Name=16-CT240125-ED-REP1 pos_RC8_01_44478_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	16-CT240503-ED-REP1 pos_RC8_01_46268_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:3 | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=16-CT240503-ED-REP1 pos_RC8_01_46268.d; Modified File Name=16-CT240503-ED-REP1 pos_RC8_01_46268_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	17-CT240125-ED-REP2 pos_RD1_01_44065_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:1 | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=17-CT240125-ED-REP2 pos_RD1_01_44065.d; Modified File Name=17-CT240125-ED-REP2 pos_RD1_01_44065_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	17-CT240125-ED-REP2 pos_RD1_01_44475_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:2 | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=17-CT240125-ED-REP2 pos_RD1_01_44475.d; Modified File Name=17-CT240125-ED-REP2 pos_RD1_01_44475_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	17-CT240503-ED-REP2 pos_RD1_01_46290_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:3 | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=17-CT240503-ED-REP2 pos_RD1_01_46290.d; Modified File Name=17-CT240503-ED-REP2 pos_RD1_01_46290_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	18-CT240125-ED-REP3 pos_RD2_01_44066_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:1 | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=18-CT240125-ED-REP3 pos_RD2_01_44066.d; Modified File Name=18-CT240125-ED-REP3 pos_RD2_01_44066_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	18-CT240125-ED-REP3 pos_RD2_01_44476_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:2 | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=18-CT240125-ED-REP3 pos_RD2_01_44476.d; Modified File Name=18-CT240125-ED-REP3 pos_RD2_01_44476_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	18-CT240503-ED-REP3 pos_RD2_01_46283_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:3 | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=18-CT240503-ED-REP3 pos_RD2_01_46283.d; Modified File Name=18-CT240503-ED-REP3 pos_RD2_01_46283_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	19-CT240125-ED-REP4 pos_RD3_01_44058_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:1 | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=19-CT240125-ED-REP4 pos_RD3_01_44058.d; Modified File Name=19-CT240125-ED-REP4 pos_RD3_01_44058_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	19-CT240125-ED-REP4 pos_RD3_01_44468_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:2 | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=19-CT240125-ED-REP4 pos_RD3_01_44468.d; Modified File Name=19-CT240125-ED-REP4 pos_RD3_01_44468_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	19-CT240503-ED-REP4 pos_RD3_01_46276_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:3 | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=19-CT240503-ED-REP4 pos_RD3_01_46276.d; Modified File Name=19-CT240503-ED-REP4 pos_RD3_01_46276_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	20-CT240125-ED-REP5 pos_RD4_01_44064_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:1 | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=20-CT240125-ED-REP5 pos_RD4_01_44064.d; Modified File Name=20-CT240125-ED-REP5 pos_RD4_01_44064_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	20-CT240125-ED-REP5 pos_RD4_01_44474_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:2 | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=20-CT240125-ED-REP5 pos_RD4_01_44474.d; Modified File Name=20-CT240125-ED-REP5 pos_RD4_01_44474_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	20-CT240503-ED-REP5 pos_RD4_01_46271_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:3 | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=20-CT240503-ED-REP5 pos_RD4_01_46271.d; Modified File Name=20-CT240503-ED-REP5 pos_RD4_01_46271_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	16-CT240125-ED-REP1 neg_RC8_01_44115_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:1 | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=16-CT240125-ED-REP1 neg_RC8_01_44115.d; Modified File Name=16-CT240125-ED-REP1 neg_RC8_01_44115_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	16-CT240125-ED-REP1 neg_RC8_01_44525_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:2 | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=16-CT240125-ED-REP1 neg_RC8_01_44525.d; Modified File Name=16-CT240125-ED-REP1 neg_RC8_01_44525_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	16-CT240503-ED-REP1 neg_RC8_01_46315_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:3 | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=16-CT240503-ED-REP1 neg_RC8_01_46315.d; Modified File Name=16-CT240503-ED-REP1 neg_RC8_01_46315_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	17-CT240125-ED-REP2 neg_RD1_01_44117_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:1 | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=17-CT240125-ED-REP2 neg_RD1_01_44117.d; Modified File Name=17-CT240125-ED-REP2 neg_RD1_01_44117_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	17-CT240125-ED-REP2 neg_RD1_01_44527_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:2 | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=17-CT240125-ED-REP2 neg_RD1_01_44527.d; Modified File Name=17-CT240125-ED-REP2 neg_RD1_01_44527_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	17-CT240503-ED-REP2 neg_RD1_01_46317_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:3 | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=17-CT240503-ED-REP2 neg_RD1_01_46317.d; Modified File Name=17-CT240503-ED-REP2 neg_RD1_01_46317_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	18-CT240125-ED-REP3 neg_RD2_01_44116_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:1 | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=18-CT240125-ED-REP3 neg_RD2_01_44116.d; Modified File Name=18-CT240125-ED-REP3 neg_RD2_01_44116_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	18-CT240125-ED-REP3 neg_RD2_01_44526_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:2 | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=18-CT240125-ED-REP3 neg_RD2_01_44526.d; Modified File Name=18-CT240125-ED-REP3 neg_RD2_01_44526_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	18-CT240503-ED-REP3 neg_RD2_01_46310_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:3 | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=18-CT240503-ED-REP3 neg_RD2_01_46310.d; Modified File Name=18-CT240503-ED-REP3 neg_RD2_01_46310_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	19-CT240125-ED-REP4 neg_RD3_01_44108_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:1 | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=19-CT240125-ED-REP4 neg_RD3_01_44108.d; Modified File Name=19-CT240125-ED-REP4 neg_RD3_01_44108_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	19-CT240125-ED-REP4 neg_RD3_01_44518_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:2 | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=19-CT240125-ED-REP4 neg_RD3_01_44518.d; Modified File Name=19-CT240125-ED-REP4 neg_RD3_01_44518_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	19-CT240503-ED-REP4 neg_RD3_01_46334_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:3 | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=19-CT240503-ED-REP4 neg_RD3_01_46334.d; Modified File Name=19-CT240503-ED-REP4 neg_RD3_01_46334_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	20-CT240125-ED-REP5 neg_RD4_01_44126_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:1 | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=20-CT240125-ED-REP5 neg_RD4_01_44126.d; Modified File Name=20-CT240125-ED-REP5 neg_RD4_01_44126_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	20-CT240125-ED-REP5 neg_RD4_01_44536_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:2 | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=20-CT240125-ED-REP5 neg_RD4_01_44536.d; Modified File Name=20-CT240125-ED-REP5 neg_RD4_01_44536_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	20-CT240503-ED-REP5 neg_RD4_01_46330_modified	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:3 | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=20-CT240503-ED-REP5 neg_RD4_01_46330.d; Modified File Name=20-CT240503-ED-REP5 neg_RD4_01_46330_modified.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	01_FDDAp	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:Non relevant | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=01_FDDAp.raw; Modified File Name=01_FDDAp.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	02_FDDAp	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:Non relevant | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=02_FDDAp.raw; Modified File Name=02_FDDAp.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	03_FDDAp	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:Non relevant | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=03_FDDAp.raw; Modified File Name=03_FDDAp.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	04_FDDAp	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:Non relevant | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=04_FDDAp.raw; Modified File Name=04_FDDAp.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	05_FDDAp	Sample source:Arabidopsis Thaliana | Treatment:P-starvation | Day:Non relevant | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=05_FDDAp.raw; Modified File Name=05_FDDAp.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	06_FDDAp	Sample source:Arabidopsis Thaliana | Treatment:P-starvation | Day:Non relevant | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=06_FDDAp.raw; Modified File Name=06_FDDAp.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	07_FDDAp	Sample source:Arabidopsis Thaliana | Treatment:P-starvation | Day:Non relevant | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=07_FDDAp.raw; Modified File Name=07_FDDAp.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	08_FDDAp	Sample source:Arabidopsis Thaliana | Treatment:P-starvation | Day:Non relevant | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=08_FDDAp.raw; Modified File Name=08_FDDAp.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	09_FDDAp	Sample source:Arabidopsis Thaliana | Treatment:N-starvation | Day:Non relevant | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=09_FDDAp.raw; Modified File Name=09_FDDAp.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	10_FDDAp	Sample source:Arabidopsis Thaliana | Treatment:N-starvation | Day:Non relevant | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=10_FDDAp.raw; Modified File Name=10_FDDAp.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	11_FDDAp	Sample source:Arabidopsis Thaliana | Treatment:N-starvation | Day:Non relevant | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=11_FDDAp.raw; Modified File Name=11_FDDAp.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	12_FDDAp	Sample source:Arabidopsis Thaliana | Treatment:N-starvation | Day:Non relevant | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=12_FDDAp.raw; Modified File Name=12_FDDAp.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	13_FDDAp	Sample source:Arabidopsis Thaliana | Treatment:Flagellin 22 | Day:Non relevant | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=13_FDDAp.raw; Modified File Name=13_FDDAp.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	14_FDDAp	Sample source:Arabidopsis Thaliana | Treatment:Flagellin 22 | Day:Non relevant | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=14_FDDAp.raw; Modified File Name=14_FDDAp.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	15_FDDAp	Sample source:Arabidopsis Thaliana | Treatment:Flagellin 22 | Day:Non relevant | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=15_FDDAp.raw; Modified File Name=15_FDDAp.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	16_FDDAp	Sample source:Arabidopsis Thaliana | Treatment:Flagellin 22 | Day:Non relevant | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=16_FDDAp.raw; Modified File Name=16_FDDAp.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	17_FDDAp	Sample source:Arabidopsis Thaliana | Treatment:Chitin | Day:Non relevant | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=17_FDDAp.raw; Modified File Name=17_FDDAp.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	18_FDDAp	Sample source:Arabidopsis Thaliana | Treatment:Chitin | Day:Non relevant | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=18_FDDAp.raw; Modified File Name=18_FDDAp.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	19_FDDAp	Sample source:Arabidopsis Thaliana | Treatment:Chitin | Day:Non relevant | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=19_FDDAp.raw; Modified File Name=19_FDDAp.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	20_FDDAp	Sample source:Arabidopsis Thaliana | Treatment:Chitin | Day:Non relevant | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=20_FDDAp.raw; Modified File Name=20_FDDAp.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Pooled QC	QC1_FDDAp	Sample source:Arabidopsis Thaliana | Treatment:Pooled | Day:Non relevant | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=QC1_FDDAp.raw; Modified File Name=QC1_FDDAp.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Pooled QC	QC2_FDDAp	Sample source:Arabidopsis Thaliana | Treatment:Pooled | Day:Non relevant | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=QC2_FDDAp.raw; Modified File Name=QC2_FDDAp.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Pooled QC	QC3_FDDAp	Sample source:Arabidopsis Thaliana | Treatment:Pooled | Day:Non relevant | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=QC3_FDDAp.raw; Modified File Name=QC3_FDDAp.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Pooled QC	QC4_FDDAp	Sample source:Arabidopsis Thaliana | Treatment:Pooled | Day:Non relevant | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=QC4_FDDAp.raw; Modified File Name=QC4_FDDAp.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Positive-ESI+
SUBJECT_SAMPLE_FACTORS           	Sample	01_FDDAn	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:Non relevant | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=01_FDDAn.raw; Modified File Name=01_FDDAn.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	02_FDDAn	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:Non relevant | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=02_FDDAn.raw; Modified File Name=02_FDDAn.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	03_FDDAn	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:Non relevant | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=03_FDDAn.raw; Modified File Name=03_FDDAn.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	04_FDDAn	Sample source:Arabidopsis Thaliana | Treatment:Untreated | Day:Non relevant | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=04_FDDAn.raw; Modified File Name=04_FDDAn.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	05_FDDAn	Sample source:Arabidopsis Thaliana | Treatment:P-starvation | Day:Non relevant | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=05_FDDAn.raw; Modified File Name=05_FDDAn.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	06_FDDAn	Sample source:Arabidopsis Thaliana | Treatment:P-starvation | Day:Non relevant | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=06_FDDAn.raw; Modified File Name=06_FDDAn.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	07_FDDAn	Sample source:Arabidopsis Thaliana | Treatment:P-starvation | Day:Non relevant | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=07_FDDAn.raw; Modified File Name=07_FDDAn.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	08_FDDAn	Sample source:Arabidopsis Thaliana | Treatment:P-starvation | Day:Non relevant | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=08_FDDAn.raw; Modified File Name=08_FDDAn.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	10_FDDAn	Sample source:Arabidopsis Thaliana | Treatment:N-starvation | Day:Non relevant | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=10_FDDAn.raw; Modified File Name=10_FDDAn.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	11_FDDAn	Sample source:Arabidopsis Thaliana | Treatment:N-starvation | Day:Non relevant | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=11_FDDAn.raw; Modified File Name=11_FDDAn.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	12_FDDAn	Sample source:Arabidopsis Thaliana | Treatment:N-starvation | Day:Non relevant | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=12_FDDAn.raw; Modified File Name=12_FDDAn.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	13_FDDAn	Sample source:Arabidopsis Thaliana | Treatment:Flagellin 22 | Day:Non relevant | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=13_FDDAn.raw; Modified File Name=13_FDDAn.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	14_FDDAn	Sample source:Arabidopsis Thaliana | Treatment:Flagellin 22 | Day:Non relevant | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=14_FDDAn.raw; Modified File Name=14_FDDAn.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	15_FDDAn	Sample source:Arabidopsis Thaliana | Treatment:Flagellin 22 | Day:Non relevant | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=15_FDDAn.raw; Modified File Name=15_FDDAn.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	16_FDDAn	Sample source:Arabidopsis Thaliana | Treatment:Flagellin 22 | Day:Non relevant | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=16_FDDAn.raw; Modified File Name=16_FDDAn.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	17_FDDAn	Sample source:Arabidopsis Thaliana | Treatment:Chitin | Day:Non relevant | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=17_FDDAn.raw; Modified File Name=17_FDDAn.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	18_FDDAn	Sample source:Arabidopsis Thaliana | Treatment:Chitin | Day:Non relevant | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=18_FDDAn.raw; Modified File Name=18_FDDAn.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	19_FDDAn	Sample source:Arabidopsis Thaliana | Treatment:Chitin | Day:Non relevant | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=19_FDDAn.raw; Modified File Name=19_FDDAn.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Sample	20_FDDAn	Sample source:Arabidopsis Thaliana | Treatment:Chitin | Day:Non relevant | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=20_FDDAn.raw; Modified File Name=20_FDDAn.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Pooled QC	QC1_FDDAn	Sample source:Arabidopsis Thaliana | Treatment:Pooled | Day:Non relevant | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=QC1_FDDAn.raw; Modified File Name=QC1_FDDAn.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Pooled QC	QC2_FDDAn	Sample source:Arabidopsis Thaliana | Treatment:Pooled | Day:Non relevant | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=QC2_FDDAn.raw; Modified File Name=QC2_FDDAn.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Pooled QC	QC3_FDDAn	Sample source:Arabidopsis Thaliana | Treatment:Pooled | Day:Non relevant | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=QC3_FDDAn.raw; Modified File Name=QC3_FDDAn.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
SUBJECT_SAMPLE_FACTORS           	Pooled QC	QC4_FDDAn	Sample source:Arabidopsis Thaliana | Treatment:Pooled | Day:Non relevant | Extraction Protocol:D	RAW_FILE_NAME(Raw file name)=QC4_FDDAn.raw; Modified File Name=QC4_FDDAn.mzML; Organism part=Whole seedling; Variant=Col-0; Ionization Mode=Negative-ESI-
#COLLECTION
CO:COLLECTION_SUMMARY            	Seeds from wild-type Arabidopsis thaliana ecotype Colombia 0 (Col-0) were used
CO:COLLECTION_SUMMARY            	for plant growing under no treatment and with biotic and abiotic stresses. 20 mg
CO:COLLECTION_SUMMARY            	of seeds were sterilized with 1mL 70% ethanol containing 0.01 % Triton X-100 for
CO:COLLECTION_SUMMARY            	10 minutes. After incubation the solution was removed, and seeds were washed
CO:COLLECTION_SUMMARY            	with 96% EtOH and left to dry in sterile conditions. 1 mL of sterile Milli-Q
CO:COLLECTION_SUMMARY            	water was added to the tubes containing the seeds and left for stratification at
CO:COLLECTION_SUMMARY            	4°C for 4 days. A. thaliana wild-type Col-0 seeds (20 mg) were grown in 200 mL
CO:COLLECTION_SUMMARY            	of sterile liquid Murashige-Skoog (MS) media in a 1-liter Erlenmeyer glass flask
CO:COLLECTION_SUMMARY            	on orbital shakers with constant light (120 µE) and temperature (21°C) for a
CO:COLLECTION_SUMMARY            	total of 16 days. The shaker speed was kept low (50 rpm) and was gradually
CO:COLLECTION_SUMMARY            	increased to 80 rpm after three days, and to 100 rpm after seven days of growth.
CO:COLLECTION_SUMMARY            	After 7 days, 50 mL of fresh MS medium was added to the seedlings. On day 14,
CO:COLLECTION_SUMMARY            	the media were discarded, and seedlings were washed with 200 mL fresh media
CO:COLLECTION_SUMMARY            	(either normal MS media or MS with nutrient deficiency).
CO:SAMPLE_TYPE                   	Seedlings
CO:STORAGE_CONDITIONS            	-80℃
#TREATMENT
TR:TREATMENT_SUMMARY             	The macronutrient deprivation and biotic treatments took place as described
TR:TREATMENT_SUMMARY             	previously with some modifications, and lasted for 2 days. In short:• For the
TR:TREATMENT_SUMMARY             	untreated plants, 300 mL of fresh MS media were added. The MS media composition
TR:TREATMENT_SUMMARY             	was the following: NH4NO3; 1650 mg/L, H3BO3; 6.2 mg/L, CaCl2; 332.2 mg/L,
TR:TREATMENT_SUMMARY             	CoCl2*6H2O; 0.025 mg/L, CuSO4*5H2O; 0.025 mg/L, Na2-EDTA; 37.26 mg/L,
TR:TREATMENT_SUMMARY             	FeSO4*7H2O; 27.8 mg/L, MgSO4; 180.7 mg/L, MnSO4*H2O; 16.9 mg/L, Na2MoO4*2H2O;
TR:TREATMENT_SUMMARY             	0.25 mg/L, KI; 0.83 mg/L, ZnSO4*7H2O; 8.6 mg/L, KNO3; 1900 mg/L, KH2PO4; 170
TR:TREATMENT_SUMMARY             	mg/L. • For the inorganic Nitrogen starvation, normal MS media were replaced
TR:TREATMENT_SUMMARY             	by 300 mL inorganic Nitrogen (- N) deficient media with the following
TR:TREATMENT_SUMMARY             	composition: H3BO3; 6.2 mg/L, CaCl2; 332.2 mg/L, CoCl2*6H2O; 0.025 mg/L,
TR:TREATMENT_SUMMARY             	CuSO4*5H2O; 0.025 mg/L, Na2-EDTA; 37.26 mg/L, FeSO4*7H2O; 27.8 mg/L, MgSO4;
TR:TREATMENT_SUMMARY             	180.7 mg/L, MnSO4*H2O; 16.9 mg/L, Na2MoO4*2H2O; 0.25 mg/L, KI; 0.83 mg/L,
TR:TREATMENT_SUMMARY             	ZnSO4*7H2O; 8.6 mg/L, KNO3; KH2PO4; 170 mg/L, K2SO4; 3278 mg/L. • For the
TR:TREATMENT_SUMMARY             	inorganic Phosphorus starvation, normal MS media were replaced by 300 mL
TR:TREATMENT_SUMMARY             	inorganic Phosphorus (- P) deficient media with the following composition:
TR:TREATMENT_SUMMARY             	NH4NO3; 1650 mg/L, H3BO3; 6.2 mg/L, CaCl2; 332.2 mg/L, CoCl2*6H2O; 0.025 mg/L,
TR:TREATMENT_SUMMARY             	CuSO4*5H2O; 0.025 mg/L, Na2-EDTA; 37.26 mg/L, FeSO4*7H2O; 27.8 mg/l, MgSO4;
TR:TREATMENT_SUMMARY             	180.7 mg/L, MnSO4*H2O; 16.9 mg/L, Na2MoO4*2H2O; 0.25 mg/l, KI; 0.83 mg/L,
TR:TREATMENT_SUMMARY             	ZnSO4*7H2O; 8.6 mg/L, KNO3; 1900 mg/L. • For the flagellin-related
TR:TREATMENT_SUMMARY             	experiments; normal MS media (recipe above) were replaced with 300 mL MS media
TR:TREATMENT_SUMMARY             	spiked flagellin-22 in a final concentration of 1 µM flg22. The
TR:TREATMENT_SUMMARY             	flagellin-containing media were generated by mixing flagellin 22 (Genscript)
TR:TREATMENT_SUMMARY             	with MilliQ water. • For the chitin-related experiments; normal MS media were
TR:TREATMENT_SUMMARY             	replaced with 300 mL MS media containing chitin in a final concentration of
TR:TREATMENT_SUMMARY             	0,1 mg/mL. The chitin solution was generated by dissolving chitin (Merck,
TR:TREATMENT_SUMMARY             	Darmstadt, Germany) in MilliQ water at 10 mg/mL with gentle shaking together
TR:TREATMENT_SUMMARY             	with metal beads for a few hours at 4°C. The resuspended chitin solution was
TR:TREATMENT_SUMMARY             	autoclaved at 121°C for 20 min. The solution was centrifuged (3000 rpm at 2
TR:TREATMENT_SUMMARY             	min) to obtain a clear supernatant, which was added to the flask to a
TR:TREATMENT_SUMMARY             	concentration of 0.1 mg/mL.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	2.3.1 Extraction Protocol A Freeze-dried plant material (100 mg.) was carefully
SP:SAMPLEPREP_SUMMARY            	weighed into different 5 mL Eppendorf tubes kept in dry ice and pre-filled with
SP:SAMPLEPREP_SUMMARY            	two 3mm diameter metal beads (Bearing Wearhouse). 1.5 mL of
SP:SAMPLEPREP_SUMMARY            	Acetonitrile/Methanol (1:1) spiked with 3 μM of internal standard Ampicillin
SP:SAMPLEPREP_SUMMARY            	(Merck, Darmstadt, Germany) were added to the tube. The samples were vortexed
SP:SAMPLEPREP_SUMMARY            	for 30 seconds and subsequently extracted in a water bath sonicator (Vevor,
SP:SAMPLEPREP_SUMMARY            	Shanghai, China) at room temperature for 20 minutes at 60 Hz. The samples were
SP:SAMPLEPREP_SUMMARY            	then centrifuged at 4°C at 5000 rpm for 20 minutes. After centrifugation, the
SP:SAMPLEPREP_SUMMARY            	supernatant was removed into a 12-mL DURAN glass tube (Hounisen, Skanderborg,
SP:SAMPLEPREP_SUMMARY            	Denmark), and the plant material was re-extracted with 1 mL of
SP:SAMPLEPREP_SUMMARY            	Acetonitrile/Methanol/Water (4:4:2) spiked with 3 μM of Ampicillin using the
SP:SAMPLEPREP_SUMMARY            	same steps. After the second extraction, the supernatant was pooled with the
SP:SAMPLEPREP_SUMMARY            	previous one, and a final extraction using 1 mL of Methanol/Water (8:2) spiked
SP:SAMPLEPREP_SUMMARY            	with internal standard was conducted similarly. The third supernatant was pooled
SP:SAMPLEPREP_SUMMARY            	with the previous two, and the samples were filtered through 0.22 μm PVDF
SP:SAMPLEPREP_SUMMARY            	filter pre-conditioned with 300 μl of 50% methanol. After filtration, samples
SP:SAMPLEPREP_SUMMARY            	were dried overnight under a mild stream of nitrogen. 2.3.2 Extraction Protocol
SP:SAMPLEPREP_SUMMARY            	B Freeze-dried plant material (100 mg.) was carefully weighed into different 5
SP:SAMPLEPREP_SUMMARY            	mL Eppendorf tubes kept in dry-ice and pre-filled with two 3mm diameter metal
SP:SAMPLEPREP_SUMMARY            	beads. 1.5 mL of Ethanol/Methanol (1:1) spiked with 3 μM of internal standard
SP:SAMPLEPREP_SUMMARY            	Ampicillin (Merck, Darmstadt, Germany) were added to the tube. The samples were
SP:SAMPLEPREP_SUMMARY            	vortexed for 30 seconds and subsequently extracted in a water bath sonicator
SP:SAMPLEPREP_SUMMARY            	(Vevor, Shanghai, China) at room temperature for 20 minutes at 60 Hz. The
SP:SAMPLEPREP_SUMMARY            	samples were then centrifuged at 4°C at 5000 rpm for 20 minutes. After
SP:SAMPLEPREP_SUMMARY            	centrifugation, the supernatant was removed into a 12-mL DURAN glass tube
SP:SAMPLEPREP_SUMMARY            	(Hounisen, Skanderborg, Denmark), and the plant material was re-extracted with 1
SP:SAMPLEPREP_SUMMARY            	mL of Ethanol/Methanol/Water (4:4:2) spiked with 3 μM of Ampicillin using the
SP:SAMPLEPREP_SUMMARY            	same steps. After the second extraction, the supernatant was pooled with the
SP:SAMPLEPREP_SUMMARY            	previous one, and a final extraction using 1 mL of Methanol/Water (8:2) spiked
SP:SAMPLEPREP_SUMMARY            	with internal standard was conducted similarly. The third supernatant was pooled
SP:SAMPLEPREP_SUMMARY            	with the previous two and the samples were filtered through 0.22 μm PVDF filter
SP:SAMPLEPREP_SUMMARY            	pre-conditioned with 300 μl of 50% methanol. After filtration, samples were
SP:SAMPLEPREP_SUMMARY            	dried overnight under a mild stream of nitrogen and stored at -80°C. 2.3.3
SP:SAMPLEPREP_SUMMARY            	Extraction Protocol C Freeze-dried plant material (100 mg.) was carefully
SP:SAMPLEPREP_SUMMARY            	weighed into different 5 mL Eppendorf tubes kept in dry-ice and pre-filled with
SP:SAMPLEPREP_SUMMARY            	two 3mm diameter metal beads. 1.5 mL of Methanol/Water (8:2) spiked with 3 μM
SP:SAMPLEPREP_SUMMARY            	of internal standard were added to the tube. The samples were vortexed for 30
SP:SAMPLEPREP_SUMMARY            	seconds and subsequently extracted in a water bath sonicator (Vevor, Shanghai,
SP:SAMPLEPREP_SUMMARY            	China) at room temperature for 20 minutes at 60 Hz. The samples were then
SP:SAMPLEPREP_SUMMARY            	centrifuged at 4°C at 5000 rpm for 20 minutes. After centrifugation, the
SP:SAMPLEPREP_SUMMARY            	supernatant was removed into a 12-mL DURAN glass tube (Hounisen, Skanderborg,
SP:SAMPLEPREP_SUMMARY            	Denmark), and the plant material was re-extracted with 1 mL of the same solvent
SP:SAMPLEPREP_SUMMARY            	using the exact same steps. After the second extraction the supernatant was
SP:SAMPLEPREP_SUMMARY            	pooled with the previous one and a final re-extraction using 1 mL was conducted
SP:SAMPLEPREP_SUMMARY            	similarly. The third supernatant was pooled with the previous two, and the
SP:SAMPLEPREP_SUMMARY            	samples were filtered through 0.22 μm PVDF filter pre-conditioned with 300 μL
SP:SAMPLEPREP_SUMMARY            	of 50% methanol. After filtration, samples were dried overnight under a mild
SP:SAMPLEPREP_SUMMARY            	stream of nitrogen and stored at -80°C. 2.3.4 Extraction Protocol D
SP:SAMPLEPREP_SUMMARY            	Freeze-dried plant material (100 mg.) was carefully weighed into different 5 mL
SP:SAMPLEPREP_SUMMARY            	Eppendorf tubes kept in dry-ice and pre-filled with two 3mm diameter metal
SP:SAMPLEPREP_SUMMARY            	beads. 1.5 mL of Dichloromethane/Methanol (3:1) spiked with 3 μM of internal
SP:SAMPLEPREP_SUMMARY            	standard were added to the tube. The samples were vortexed for 30 seconds and
SP:SAMPLEPREP_SUMMARY            	subsequently extracted in a water bath sonicator (Vevor, Shanghai, China) at
SP:SAMPLEPREP_SUMMARY            	room temperature for 20 minutes at 60 Hz. The samples were then centrifuged at 4
SP:SAMPLEPREP_SUMMARY            	°C at 5000 rpm for 20 minutes. After centrifugation, the supernatant was
SP:SAMPLEPREP_SUMMARY            	removed into a 12-mL DURAN glass tube (Hounisen, Skanderborg, Denmark), and the
SP:SAMPLEPREP_SUMMARY            	plant material was re-extracted with 1 mL of the same solvent using the exact
SP:SAMPLEPREP_SUMMARY            	same steps. After the second extraction the supernatant was pooled with the
SP:SAMPLEPREP_SUMMARY            	previous one and a final re-extraction using 1 mL of Methanol/Water (8:2) spiked
SP:SAMPLEPREP_SUMMARY            	with 3 μM of internal standard was performed. The third supernatant was pooled
SP:SAMPLEPREP_SUMMARY            	with the previous two into the 12 mL glass tubes and the samples were filtered
SP:SAMPLEPREP_SUMMARY            	through 0.22 μm PVDF filter pre-conditioned with 300 μl of 50% methanol
SP:SAMPLEPREP_SUMMARY            	followed by the addition of 1 mL of milliQ water to induce phase separation. The
SP:SAMPLEPREP_SUMMARY            	tube was left to stand in room temperature for 5 minutes and was subsequently
SP:SAMPLEPREP_SUMMARY            	centrifuged at 3000 g at 4°C for 20 minutes. After centrifugation, the upper
SP:SAMPLEPREP_SUMMARY            	MeOH-H2O was removed carefully in a new 12-mL glass tube, while the lower DCM
SP:SAMPLEPREP_SUMMARY            	(Dichloromethane) phase was re-extracted with 1.5 mL of water with the same
SP:SAMPLEPREP_SUMMARY            	procedure as the previous step. After the second phase separation, the upper
SP:SAMPLEPREP_SUMMARY            	phase containing the secondary metabolites was pooled with the previous upper
SP:SAMPLEPREP_SUMMARY            	phase, and samples were dried overnight under a mild stream of nitrogen and
SP:SAMPLEPREP_SUMMARY            	stored at -80°C.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Pellets were resuspended in 2 mL of 50% MeOH. After 20-fold dilution samples
CH:CHROMATOGRAPHY_SUMMARY        	were filtered with 0.22 μm syringe filters (PVDF) and subjected to analysis.
CH:CHROMATOGRAPHY_SUMMARY        	Separation was achieved on a Dionex UltiMate 3000 Quaternary Rapid Separation
CH:CHROMATOGRAPHY_SUMMARY        	UHPLC+ focused system (Thermo Fisher Scientific, Germering, Germany) equipped
CH:CHROMATOGRAPHY_SUMMARY        	with a ZORBAX Eclipse 1.8 μm XDB-C18 column (100 × 3 mm, 1.8 μm, Agilent).
CH:CHROMATOGRAPHY_SUMMARY        	For eluting 0.05% (v/v) formic acid in H2O and 0.05% (v/v) formic acid in MeCN
CH:CHROMATOGRAPHY_SUMMARY        	were employed as mobile phases A and B, respectively. Gradient conditions were
CH:CHROMATOGRAPHY_SUMMARY        	as follows: 0.0−1.0 min 3% B; 1.0−14.0 min 3−20% B; 14.0−20.0 min
CH:CHROMATOGRAPHY_SUMMARY        	20−45% B, 20.0−24.5 min 45−100% B, 24.5−26.5 min 100% B, 26.5−26.55
CH:CHROMATOGRAPHY_SUMMARY        	min 100−3% B, and 26.55−30.0 min 3% B. The flow rate of the mobile phase was
CH:CHROMATOGRAPHY_SUMMARY        	400 μL/min and injection volume were set at 20 μL. The column temperature was
CH:CHROMATOGRAPHY_SUMMARY        	maintained at 40°C. UV chromatograms were acquired at 229, 260, 310, and 345
CH:CHROMATOGRAPHY_SUMMARY        	nm. The UHPLC was coupled to a Compact micro-TOF-Q mass spectrometer (Bruker,
CH:CHROMATOGRAPHY_SUMMARY        	Bremen, Germany) equipped with an electrospray ion source (ESI) operated in
CH:CHROMATOGRAPHY_SUMMARY        	positive or negative ionization mode. The ion spray voltage was maintained at
CH:CHROMATOGRAPHY_SUMMARY        	3750 in positive and -4000 V in negative ionization mode. The dry temperature
CH:CHROMATOGRAPHY_SUMMARY        	was set to 275 (positive) and 325°C (negative), and the dry gas flow was set to
CH:CHROMATOGRAPHY_SUMMARY        	8 L/min. Nitrogen was used as the dry gas, nebulizing gas, and collision gas.
CH:CHROMATOGRAPHY_SUMMARY        	The nebulizing gas was set to 2.5 bar and collision energy to 15 eV. HRESIMS and
CH:CHROMATOGRAPHY_SUMMARY        	MS/MS spectra were acquired in an m/z range from 50 to 1200 amu at a sampling
CH:CHROMATOGRAPHY_SUMMARY        	rate of 2 Hz. Sodium formate clusters were used for mass calibration. All files
CH:CHROMATOGRAPHY_SUMMARY        	were automatically calibrated by postprocessing. All acquired chromatograms and
CH:CHROMATOGRAPHY_SUMMARY        	spectra were analyzed with Compass DataAnalysis v.4.3.0 (Bruker, Bremen,
CH:CHROMATOGRAPHY_SUMMARY        	Germany).
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Thermo Dionex Ultimate 3000
CH:COLUMN_NAME                   	Agilent ZORBAX Eclipse XDB C-18 (100 × 3 mm, 1.8 μm)
CH:SOLVENT_A                     	100% Water; 0.05% Formic acid
CH:SOLVENT_B                     	100% Acetonitrile; 0.05% Formic acid
CH:FLOW_GRADIENT                 	0.0−1.0 min 3% B; 1.0−14.0 min 3−20% B; 14.0−20.0 min 20−45% B,
CH:FLOW_GRADIENT                 	20.0−24.5 min 45−100% B, 24.5−26.5 min 100% B, 26.5−26.55 min 100−3%
CH:FLOW_GRADIENT                 	B, and 26.55−30.0 min 3% B
CH:FLOW_RATE                     	400 μL/min
CH:COLUMN_TEMPERATURE            	40°C
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Bruker MicrOTOF II
MS:INSTRUMENT_TYPE               	QTOF
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	NEGATIVE
MS:MS_COMMENTS                   	Pellets were resuspended in 2 mL of 50% MeOH. After 20-fold dilution samples
MS:MS_COMMENTS                   	were filtered with 0.22 μm syringe filters (PVDF) and subjected to analysis.
MS:MS_COMMENTS                   	Separation was achieved on a Dionex UltiMate 3000 Quaternary Rapid Separation
MS:MS_COMMENTS                   	UHPLC+ focused system (Thermo Fisher Scientific, Germering, Germany) equipped
MS:MS_COMMENTS                   	with a ZORBAX Eclipse 1.8 μm XDB-C18 column (100 × 3 mm, 1.8 μm, Agilent).
MS:MS_COMMENTS                   	For eluting 0.05% (v/v) formic acid in H2O and 0.05% (v/v) formic acid in MeCN
MS:MS_COMMENTS                   	were employed as mobile phases A and B, respectively. Gradient conditions were
MS:MS_COMMENTS                   	as follows: 0.0−1.0 min 3% B; 1.0−14.0 min 3−20% B; 14.0−20.0 min
MS:MS_COMMENTS                   	20−45% B, 20.0−24.5 min 45−100% B, 24.5−26.5 min 100% B, 26.5−26.55
MS:MS_COMMENTS                   	min 100−3% B, and 26.55−30.0 min 3% B. The flow rate of the mobile phase was
MS:MS_COMMENTS                   	400 μL/min and injection volume were set at 20 μL. The column temperature was
MS:MS_COMMENTS                   	maintained at 40°C. UV chromatograms were acquired at 229, 260, 310, and 345
MS:MS_COMMENTS                   	nm. The UHPLC was coupled to a Compact micro-TOF-Q mass spectrometer (Bruker,
MS:MS_COMMENTS                   	Bremen, Germany) equipped with an electrospray ion source (ESI) operated in
MS:MS_COMMENTS                   	positive or negative ionization mode. The ion spray voltage was maintained at
MS:MS_COMMENTS                   	3750 in positive and -4000 V in negative ionization mode. The dry temperature
MS:MS_COMMENTS                   	was set to 275 (positive) and 325°C (negative), and the dry gas flow was set to
MS:MS_COMMENTS                   	8 L/min. Nitrogen was used as the dry gas, nebulizing gas, and collision gas.
MS:MS_COMMENTS                   	The nebulizing gas was set to 2.5 bar and collision energy to 15 eV. HRESIMS and
MS:MS_COMMENTS                   	MS/MS spectra were acquired in an m/z range from 50 to 1200 amu at a sampling
MS:MS_COMMENTS                   	rate of 2 Hz. Sodium formate clusters were used for mass calibration. All files
MS:MS_COMMENTS                   	were automatically calibrated by postprocessing. All acquired chromatograms and
MS:MS_COMMENTS                   	spectra were analyzed with Compass DataAnalysis v.4.3.0 (Bruker, Bremen,
MS:MS_COMMENTS                   	Germany).
MS:MS_RESULTS_FILE               	ST004151_AN006887_Results.txt	UNITS:dalton	Has m/z:Yes	Has RT:Yes	RT units:Minutes
#END