#METABOLOMICS WORKBENCH tsimaom_20250425_071730 DATATRACK_ID:5862 STUDY_ID:ST003882 ANALYSIS_ID:AN006376 PROJECT_ID:PR002435
VERSION                          	1
CREATED_ON                       	05-06-2025
#PROJECT
PR:PROJECT_TITLE                 	Lipidomic alterations after a single session with ayahuasca in health and
PR:PROJECT_TITLE                 	depression: a randomized placebo-controlled trial
PR:PROJECT_TYPE                  	MS untargeted analysis
PR:PROJECT_SUMMARY               	Major depressive disorder (MDD) affects 3.8 % of the world population and there
PR:PROJECT_SUMMARY               	is an estimative that at least 30 % of patients have partial or no response to
PR:PROJECT_SUMMARY               	treatments, which is a relevant healthcare concern. Ayahuasca is an indigenous
PR:PROJECT_SUMMARY               	psychedelic beverage, usually prepared from Banisteriopsis caapi and Psychotria
PR:PROJECT_SUMMARY               	viridis, which has been described in the scientific literature as presenting
PR:PROJECT_SUMMARY               	antidepressant effects. In order to investigate the mechanisms behind MDD and
PR:PROJECT_SUMMARY               	ayahuasca treatment at a molecular level, untargeted lipidomic analyses were
PR:PROJECT_SUMMARY               	carried out on blood serum samples from patients diagnosed with
PR:PROJECT_SUMMARY               	treatment-resistant depression (TRD) and control subjects given ayahuasca or
PR:PROJECT_SUMMARY               	placebo in a double-blind design. Results indicated the participation mainly of
PR:PROJECT_SUMMARY               	the immune system in TRD pathophysiology and in the antidepressant effects of
PR:PROJECT_SUMMARY               	ayahuasca, as well as the involvement of hypothalamic-pituitary-adrenal (HPA)
PR:PROJECT_SUMMARY               	axis and microbiota.
PR:INSTITUTE                     	University of Campinas
PR:DEPARTMENT                    	Chemistry's Institute
PR:LABORATORY                    	Laboratory of Bioanalytics and Integrated Omics
PR:LAST_NAME                     	Matos
PR:FIRST_NAME                    	Taynara
PR:ADDRESS                       	Rua Josué de Castro, s/n – Cidade Universitária, 13083-970, Campinas – SP,
PR:ADDRESS                       	Brazil
PR:EMAIL                         	t262827@dac.unicamp.br
PR:PHONE                         	(85)996154192
PR:DOI                           	http://dx.doi.org/10.21228/M8WG2J
#STUDY
ST:STUDY_TITLE                   	Lipidomic alterations after a single session with ayahuasca in health and
ST:STUDY_TITLE                   	depression: a randomized placebo-controlled trial
ST:STUDY_SUMMARY                 	Major depressive disorder (MDD) affects 3.8 % of the world population and there
ST:STUDY_SUMMARY                 	is an estimative that at least 30 % of patients have partial or no response to
ST:STUDY_SUMMARY                 	treatments, which is a relevant healthcare concern. Ayahuasca is an indigenous
ST:STUDY_SUMMARY                 	psychedelic beverage, usually prepared from Banisteriopsis caapi and Psychotria
ST:STUDY_SUMMARY                 	viridis, which has been described in the scientific literature as presenting
ST:STUDY_SUMMARY                 	antidepressant effects. In order to investigate the mechanisms behind MDD and
ST:STUDY_SUMMARY                 	ayahuasca treatment at a molecular level, untargeted lipidomic analyses were
ST:STUDY_SUMMARY                 	carried out on blood serum samples from patients diagnosed with
ST:STUDY_SUMMARY                 	treatment-resistant depression (TRD) and control subjects given ayahuasca or
ST:STUDY_SUMMARY                 	placebo in a double-blind design. Results indicated the participation mainly of
ST:STUDY_SUMMARY                 	the immune system in TRD pathophysiology and in the antidepressant effects of
ST:STUDY_SUMMARY                 	ayahuasca, as well as the involvement of hypothalamic-pituitary-adrenal (HPA)
ST:STUDY_SUMMARY                 	axis and microbiota.
ST:INSTITUTE                     	University of Campinas
ST:DEPARTMENT                    	Chemistry's Institute
ST:LABORATORY                    	Laboratory of Bioanalytics and Integrated Omics
ST:LAST_NAME                     	Matos
ST:FIRST_NAME                    	Taynara
ST:ADDRESS                       	Rua Josué de Castro, s/n – Cidade Universitária, 13083-970, Campinas – SP,
ST:ADDRESS                       	Brazil
ST:EMAIL                         	t262827@dac.unicamp.br
ST:PHONE                         	(85)996154192
ST:SUBMIT_DATE                   	2025-04-25
#SUBJECT
SU:SUBJECT_TYPE                  	Human
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
SU:GENDER                        	Male and female
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	Sample	ORG100_NEG	Treatment:CA | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG100_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG109_NEG	Treatment:CA | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG109_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG121_NEG	Treatment:CA | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG121_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG1_NEG	Treatment:CA | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG1_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG22_NEG	Treatment:CA | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG22_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG38_NEG	Treatment:CA | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG38_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG4_NEG	Treatment:CA | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG4_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG54_NEG	Treatment:CA | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG54_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG56_NEG	Treatment:CA | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG56_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG5_NEG	Treatment:CA | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG5_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG76_NEG	Treatment:CA | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG76_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG92_NEG	Treatment:CA | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG92_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG98_NEG	Treatment:CA | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG98_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG102_NEG	Treatment:CP | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG102_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG106_NEG	Treatment:CP | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG106_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG110_NEG	Treatment:CP | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG110_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG113_NEG	Treatment:CP | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG113_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG118_NEG	Treatment:CP | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG118_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG12_NEG	Treatment:CP | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG12_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG14_NEG	Treatment:CP | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG14_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG16_NEG	Treatment:CP | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG16_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG33_NEG	Treatment:CP | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG33_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG41_NEG	Treatment:CP | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG41_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG43_NEG	Treatment:CP | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG43_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG47_NEG	Treatment:CP | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG47_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG66_NEG	Treatment:CP | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG66_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG72_NEG	Treatment:CP | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG72_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG74_NEG	Treatment:CP | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG74_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG81_NEG	Treatment:CP | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG81_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG108_NEG	Treatment:C | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG108_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG111_NEG	Treatment:C | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG111_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG112_NEG	Treatment:C | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG112_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG13_NEG	Treatment:C | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG13_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG19_NEG	Treatment:C | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG19_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG26_NEG	Treatment:C | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG26_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG31_NEG	Treatment:C | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG31_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG45_NEG	Treatment:C | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG45_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG46_NEG	Treatment:C | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG46_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG49_NEG	Treatment:C | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG49_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG51_NEG	Treatment:C | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG51_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG59_NEG	Treatment:C | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG59_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG60_NEG	Treatment:C | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG60_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG64_NEG	Treatment:C | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG64_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG73_NEG	Treatment:C | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG73_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG78_NEG	Treatment:C | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG78_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG79_NEG	Treatment:C | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG79_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG80_NEG	Treatment:C | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG80_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG83_NEG	Treatment:C | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG83_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG85_NEG	Treatment:C | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG85_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG93_NEG	Treatment:C | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG93_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG95_NEG	Treatment:C | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG95_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG96_NEG	Treatment:C | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG96_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG9_NEG	Treatment:C | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG9_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG03_NEG	Treatment:DA | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG03_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG107_NEG	Treatment:DA | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG107_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG117_NEG	Treatment:DA | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG117_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG20_NEG	Treatment:DA | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG20_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG24_NEG	Treatment:DA | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG24_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG37_NEG	Treatment:DA | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG37_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG91_NEG	Treatment:DA | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG91_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG104_NEG	Treatment:DP | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG104_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG114_NEG	Treatment:DP | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG114_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG25_NEG	Treatment:DP | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG25_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG40_NEG	Treatment:DP | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG40_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG42_NEG	Treatment:DP | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG42_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG52_NEG	Treatment:DP | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG52_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG82_NEG	Treatment:DP | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG82_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG97_NEG	Treatment:DP | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG97_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG101_NEG	Treatment:D | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG101_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG10_NEG	Treatment:D | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG10_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG119_NEG	Treatment:D | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG119_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG11_NEG	Treatment:D | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG11_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG120_NEG	Treatment:D | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG120_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG21_NEG	Treatment:D | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG21_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG30_NEG	Treatment:D | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG30_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG34_NEG	Treatment:D | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG34_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG36_NEG	Treatment:D | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG36_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG65_NEG	Treatment:D | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG65_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG6_NEG	Treatment:D | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG6_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG70_NEG	Treatment:D | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG70_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Sample	ORG8_NEG	Treatment:D | Sample source:Blood serum	RAW_FILE_NAME(Raw_file_name)=ORG8_NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Blank	Blank1_1NEG	Treatment:Not applicable | Sample source:Not applicable	RAW_FILE_NAME(Raw_file_name)=Blank1_1NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Blank	Blank1_2NEG	Treatment:Not applicable | Sample source:Not applicable	RAW_FILE_NAME(Raw_file_name)=Blank1_2NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Blank	Blank1_3NEG	Treatment:Not applicable | Sample source:Not applicable	RAW_FILE_NAME(Raw_file_name)=Blank1_3NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Blank	Blank1_4NEG	Treatment:Not applicable | Sample source:Not applicable	RAW_FILE_NAME(Raw_file_name)=Blank1_4NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Blank	Blank1_5NEG	Treatment:Not applicable | Sample source:Not applicable	RAW_FILE_NAME(Raw_file_name)=Blank1_5NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Blank	Blank1_6NEG	Treatment:Not applicable | Sample source:Not applicable	RAW_FILE_NAME(Raw_file_name)=Blank1_6NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Blank	Blank1_7NEG	Treatment:Not applicable | Sample source:Not applicable	RAW_FILE_NAME(Raw_file_name)=Blank1_7NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Blank	Blank2_2NEG	Treatment:Not applicable | Sample source:Not applicable	RAW_FILE_NAME(Raw_file_name)=Blank2_2NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Blank	Blank2_3NEG	Treatment:Not applicable | Sample source:Not applicable	RAW_FILE_NAME(Raw_file_name)=Blank2_3NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Blank	Blank2_4NEG	Treatment:Not applicable | Sample source:Not applicable	RAW_FILE_NAME(Raw_file_name)=Blank2_4NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Blank	Blank2_5NEG	Treatment:Not applicable | Sample source:Not applicable	RAW_FILE_NAME(Raw_file_name)=Blank2_5NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Blank	MeOH1	Treatment:Not applicable | Sample source:Not applicable	RAW_FILE_NAME(Raw_file_name)=MeOH1.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	Blank	MeOH2NEG	Treatment:Not applicable | Sample source:Not applicable	RAW_FILE_NAME(Raw_file_name)=MeOH2NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	QC	QC1_1NEG	Treatment:Not applicable | Sample source:Not applicable	RAW_FILE_NAME(Raw_file_name)=QC1_1NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	QC	QC1_2NEG	Treatment:Not applicable | Sample source:Not applicable	RAW_FILE_NAME(Raw_file_name)=QC1_2NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	QC	QC1_3NEG	Treatment:Not applicable | Sample source:Not applicable	RAW_FILE_NAME(Raw_file_name)=QC1_3NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	QC	QC1_4NEG	Treatment:Not applicable | Sample source:Not applicable	RAW_FILE_NAME(Raw_file_name)=QC1_4NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	QC	QC2_1NEG	Treatment:Not applicable | Sample source:Not applicable	RAW_FILE_NAME(Raw_file_name)=QC2_1NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	QC	QC2_2NEG	Treatment:Not applicable | Sample source:Not applicable	RAW_FILE_NAME(Raw_file_name)=QC2_2NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	QC	QC2_3NEG	Treatment:Not applicable | Sample source:Not applicable	RAW_FILE_NAME(Raw_file_name)=QC2_3NEG.mzML; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	QC	QC3_2NEG	Treatment:Not applicable | Sample source:Not applicable	RAW_FILE_NAME(Raw_file_name)=QC3_2NEG.mzML; Ionization mode=Negative
#COLLECTION
CO:COLLECTION_SUMMARY            	Blood serum from treatment-resistant depression patients and healthy controls
CO:COLLECTION_SUMMARY            	were obtained at the Onofre Lopes University Hospital of the Federal University
CO:COLLECTION_SUMMARY            	of Rio Grande do Norte (UFRN, Natal, Brazil) and analyzed at the Institute of
CO:COLLECTION_SUMMARY            	Chemistry of the University of Campinas (UNICAMP, Campinas, Brazil). Samples
CO:COLLECTION_SUMMARY            	were stored at -80°C until analysis.
CO:SAMPLE_TYPE                   	Blood (serum)
CO:COLLECTION_LOCATION           	Onofre Lopes University Hospital of the Federal University of Rio Grande do
CO:COLLECTION_LOCATION           	Norte (UFRN, Natal, Brazil)
CO:STORAGE_CONDITIONS            	-80℃
#TREATMENT
TR:TREATMENT_SUMMARY             	Blood serum from TRD patients and healthy controls were obtained at the Onofre
TR:TREATMENT_SUMMARY             	Lopes University Hospital (Natal, Brazil) and analyzed at the Institute of
TR:TREATMENT_SUMMARY             	Chemistry of the University of Campinas (UNICAMP, Campinas, Brazil). Samples
TR:TREATMENT_SUMMARY             	were stored at -80°C until analysis.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	After defrosting, serum samples were extracted using a micro-scale liquid-liquid
SP:SAMPLEPREP_SUMMARY            	extraction technique: 30 µL of serum sample were transferred to a 2 mL vial,
SP:SAMPLEPREP_SUMMARY            	followed by the addition of 225 µL of methanol, 750 µL of methyl-tert-butyl
SP:SAMPLEPREP_SUMMARY            	ether, and agitation in a vortex mixer for 20 s. Then, 188 µL of 0.1 % (m/m)
SP:SAMPLEPREP_SUMMARY            	ammonium acetate was added, followed by agitation in vortex for 20 s and
SP:SAMPLEPREP_SUMMARY            	centrifugation at 10000 g at 4°C for 10 minutes (Hettich Zentrifugen Mikro
SP:SAMPLEPREP_SUMMARY            	220R, Tuttlingen, Germany). The organic supernatant was transferred to a 2 mL
SP:SAMPLEPREP_SUMMARY            	vial and solvent content was evaporated in a Speed Vac vacuum concentrator
SP:SAMPLEPREP_SUMMARY            	(Eppendorf AG, Hamburg, Germany), resulting in the isolated lipidome.
SP:SAMPLEPREP_PROTOCOL_FILENAME  	SamplePreparation_LipidomicsNeg.pdf
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Lipidomic analyses were carried out in an ultra-high performance liquid
CH:CHROMATOGRAPHY_SUMMARY        	chromatography (UHPLC) system (UltiMate 3000 RSLCano system, Thermo Scientific,
CH:CHROMATOGRAPHY_SUMMARY        	Waltham, USA) coupled to a mass spectrometer equipped with electrospray
CH:CHROMATOGRAPHY_SUMMARY        	ionization (ESI) and Orbitrap mass analyzer (Orbitrap Q-Exactive, Thermo
CH:CHROMATOGRAPHY_SUMMARY        	Scientific, Waltham, USA). For the chromatographic separation, an ACQUITY UPLC®
CH:CHROMATOGRAPHY_SUMMARY        	BEH C18 column with dimensions of 2,1 x 50 mm and particle size 1,7 μm (Waters,
CH:CHROMATOGRAPHY_SUMMARY        	Milford, USA) and two mobile phases were used. Mobile phase A consisted in
CH:CHROMATOGRAPHY_SUMMARY        	acetonitrile and water (40:60) and mobile phase B consisted of acetonitrile and
CH:CHROMATOGRAPHY_SUMMARY        	isopropanol (10:90), both containing 10 mmol/L ammonium acetate. 5 μL of sample
CH:CHROMATOGRAPHY_SUMMARY        	(resuspended in 400 μL of a solvent mixture containing 40 % mobile phase B and
CH:CHROMATOGRAPHY_SUMMARY        	60 % mobile phase A) were injected and the following gradient was set (expressed
CH:CHROMATOGRAPHY_SUMMARY        	in terms of mobile phase B): 40 % B for 2 min, 50 % B for 3 min, gradual
CH:CHROMATOGRAPHY_SUMMARY        	increase to 70 % B for 2 min, 70 % B for 1 min, gradual increase to 100 % B for
CH:CHROMATOGRAPHY_SUMMARY        	2 min, 100 % B for 1 min, gradual decrease to 40 % B for 1 min and 40 % B for 2
CH:CHROMATOGRAPHY_SUMMARY        	min, resulting in 14 min run time. Sampler temperature was set to 10 °C and
CH:CHROMATOGRAPHY_SUMMARY        	column and oven temperature to 40 °C.
CH:INSTRUMENT_NAME               	Thermo Scientific UltiMate™ 3000 UHPLC RSLCnano system
CH:COLUMN_NAME                   	Waters ACQUITY UPLC BEH C18 (50 x 2.1 mm, 1.7 µm)
CH:COLUMN_TEMPERATURE            	40
CH:FLOW_GRADIENT                 	250 µL/min: ): 40 % B for 2 min, 50 % B for 3 min, gradual increase to 70 % B
CH:FLOW_GRADIENT                 	for 2 min, 70 % B for 1 min, gradual increase to 100 % B for 2 min, 100 % B for
CH:FLOW_GRADIENT                 	1 min, gradual decrease to 40 % B for 1 min and 40 % B for 2 min
CH:FLOW_RATE                     	250 µL/min
CH:SOLVENT_A                     	40% acetonitrile/60% water; 10 mM ammonium acetate
CH:SOLVENT_B                     	10% acetonitrile/90% isopropanol; 10 mM ammonium acetate
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:ANALYSIS_COMMENTS             	Mass spectrometry analyses were conducted in negative ESI mode from m/z 100 to
AN:ANALYSIS_COMMENTS             	1500 in profile mode and at resolution 70000 (at m/z = 200). Heated-ESI
AN:ANALYSIS_COMMENTS             	parameters were set as spray voltage: - 3.2 kV, capillary temperature: 300 °C,
AN:ANALYSIS_COMMENTS             	sheath gas flow rate: 35 L/min. The samples were analyzed in a randomized batch.
AN:ANALYSIS_COMMENTS             	Quality control (QC) samples, consisting of a pool of equal volumes of the
AN:ANALYSIS_COMMENTS             	samples analyzed in the batch, were analyzed repeatedly and interspersed with
AN:ANALYSIS_COMMENTS             	the clinical samples, to measure equipment fluctuations and ensure data quality.
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:MS_COMMENTS                   	Mass spectrometry analyses were conducted in negative ESI mode from m/z 100 to
MS:MS_COMMENTS                   	1500 in profile mode and at resolution 70000 (at m/z = 200). Heated-ESI
MS:MS_COMMENTS                   	parameters were set as spray voltage: - 3.2 kV, capillary temperature: 300 °C,
MS:MS_COMMENTS                   	sheath gas flow rate: 35 L/min. The samples were analyzed in a randomized batch.
MS:MS_COMMENTS                   	Quality control (QC) samples, consisting of a pool of equal volumes of the
MS:MS_COMMENTS                   	samples analyzed in the batch, were analyzed repeatedly and interspersed with
MS:MS_COMMENTS                   	the clinical samples, to measure equipment fluctuations and ensure data quality.
MS:ION_MODE                      	NEGATIVE
MS:MS_RESULTS_FILE               	ST003882_AN006376_Results.txt	UNITS:Peak area	Has m/z:Yes	Has RT:Yes	RT units:Minutes
#END