#METABOLOMICS WORKBENCH Jung_DNLI_20250623_151403 DATATRACK_ID:6083 STUDY_ID:ST004058 ANALYSIS_ID:AN006708 PROJECT_ID:PR002548
VERSION             	1
CREATED_ON             	July 22, 2025, 11:13 am
#PROJECT
PR:PROJECT_TITLE                 	Lysosomal polyamine storage upon ATP13A2 loss impairs β-glucocerebrosidase via
PR:PROJECT_TITLE                 	altered lysosomal pH and electrostatic hydrolase-lipid interactions
PR:PROJECT_TYPE                  	Preclinical Mouse and cellular studies
PR:PROJECT_SUMMARY               	ATP13A2 is an endolysosomal polyamine transporter mutated in several
PR:PROJECT_SUMMARY               	neurodegenerative conditions involving lysosomal defects, including
PR:PROJECT_SUMMARY               	Parkinson’s disease (PD). While polyamines are polybasic and polycationic
PR:PROJECT_SUMMARY               	molecules that play pleiotropic cellular roles, their specific impact on
PR:PROJECT_SUMMARY               	lysosomal health is unknown. Here, we demonstrate lysosomal polyamine
PR:PROJECT_SUMMARY               	accumulation in ATP13A2 knockout (KO) cell lines. Primary polyamine storage
PR:PROJECT_SUMMARY               	caused secondary storage of lysosomal anionic phospholipid
PR:PROJECT_SUMMARY               	bis(monoacylglycero)phosphate (BMP) and age-dependent increase in the
PR:PROJECT_SUMMARY               	β-glucocerebrosidase (GCase) substrate, glucosylsphingosine, in Atp13a2 KO
PR:PROJECT_SUMMARY               	brains. Polyamine accumulation inhibited lysosomal GCase activity in cells and
PR:PROJECT_SUMMARY               	this was reversed by lysosome reacidification or BMP supplementation. A
PR:PROJECT_SUMMARY               	liposome-based GCase assay utilizing physiological substrates demonstrated
PR:PROJECT_SUMMARY               	dose-dependent inhibition of BMP-stimulated GCase activity by polyamines, in
PR:PROJECT_SUMMARY               	part via a pH-independent, electrostatics-based mechanism. Therefore, excess
PR:PROJECT_SUMMARY               	polyamine compromises lysosomes by disrupting pH and electrostatic interactions
PR:PROJECT_SUMMARY               	between GCase and BMP enabling efficient substrate hydrolysis, potentially
PR:PROJECT_SUMMARY               	clarifying their pathogenic mechanisms, and suggesting convergence on
PR:PROJECT_SUMMARY               	PD-relevant pathways.
PR:INSTITUTE                     	Denali Therapeutics
PR:LAST_NAME                     	Suh
PR:FIRST_NAME                    	Jung
PR:ADDRESS                       	161 Oyster Point Blvd, South San Francisco, California, 94080, USA
PR:EMAIL                         	suh@dnli.com
PR:PHONE                         	+1 6507973837
#STUDY
ST:STUDY_TITLE                   	Targeted Lipid and Metabolite Profiling in ATP13A2 knockout (KO) in HAP1 cells
ST:STUDY_SUMMARY                 	Targeted profiling of lipids and metabolites was performed in ATP13A2 knockout
ST:STUDY_SUMMARY                 	(KO) HAP1 cells with and without polyamine (Spermine) and lipid (DOPC or PG
ST:STUDY_SUMMARY                 	22:6) treatments.
ST:INSTITUTE                     	Denali Therapeutics
ST:LAST_NAME                     	Suh
ST:FIRST_NAME                    	Jung
ST:ADDRESS                       	161 Oyster Point Blvd
ST:EMAIL                         	suh@dnli.com
ST:PHONE                         	+1 6507973837
#SUBJECT
SU:SUBJECT_TYPE                  	Cultured cells
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
#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           	Pool_001	HSA-000043722	Genotype:NA | Treatment:NA | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=-; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000956_HALO_Pos_002.mzML
SUBJECT_SAMPLE_FACTORS           	KO_b	HSA-000043633	Genotype:ATP13A2 KO | Treatment:none | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=-; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000956_HALO_Pos_003.mzML
SUBJECT_SAMPLE_FACTORS           	WT_b	HSA-000043625	Genotype:WT | Treatment:none | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=-; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000956_HALO_Pos_007.mzML
SUBJECT_SAMPLE_FACTORS           	WT_a	HSA-000043624	Genotype:WT | Treatment:none | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=-; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000956_HALO_Pos_009.mzML
SUBJECT_SAMPLE_FACTORS           	WT_c	HSA-000043626	Genotype:WT | Treatment:none | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=-; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000956_HALO_Pos_010.mzML
SUBJECT_SAMPLE_FACTORS           	Pool_002	HSA-000043812	Genotype:NA | Treatment:NA | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=-; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000956_HALO_Pos_011.mzML
SUBJECT_SAMPLE_FACTORS           	WT_d	HSA-000043627	Genotype:WT | Treatment:none | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=-; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000956_HALO_Pos_014.mzML
SUBJECT_SAMPLE_FACTORS           	KO_a	HSA-000043632	Genotype:ATP13A2 KO | Treatment:none | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=-; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000956_HALO_Pos_015.mzML
SUBJECT_SAMPLE_FACTORS           	KO_c	HSA-000043634	Genotype:ATP13A2 KO | Treatment:none | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=-; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000956_HALO_Pos_016.mzML
SUBJECT_SAMPLE_FACTORS           	KO_d	HSA-000043635	Genotype:ATP13A2 KO | Treatment:none | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=-; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000956_HALO_Pos_018.mzML
SUBJECT_SAMPLE_FACTORS           	Pool_003	HSA-000043813	Genotype:NA | Treatment:NA | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=-; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000956_HALO_Pos_020.mzML
SUBJECT_SAMPLE_FACTORS           	Pool1_001	HSA-000043814	Genotype:NA | Treatment:NA | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=20250124_MS_HEX-000957_Lipid_Neg_002.mzML; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000957_HALO_Pos_002.mzML
SUBJECT_SAMPLE_FACTORS           	pH_KO_c	HSA-000043739	Genotype:ATP13A2 KO | Treatment:PBS | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=20250124_MS_HEX-000957_Lipid_Neg_003.mzML; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000957_HALO_Pos_003.mzML
SUBJECT_SAMPLE_FACTORS           	pH_WT_b	HSA-000043726	Genotype:WT | Treatment:PBS | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=20250124_MS_HEX-000957_Lipid_Neg_004.mzML; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000957_HALO_Pos_004.mzML
SUBJECT_SAMPLE_FACTORS           	pH_WT_SPM_b	HSA-000043729	Genotype:WT | Treatment:SPM | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=20250124_MS_HEX-000957_Lipid_Neg_005.mzML; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000957_HALO_Pos_005.mzML
SUBJECT_SAMPLE_FACTORS           	pH_KO_Rim_a	HSA-000043743	Genotype:ATP13A2 KO | Treatment:Rim | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=20250124_MS_HEX-000957_Lipid_Neg_006.mzML; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000957_HALO_Pos_006.mzML
SUBJECT_SAMPLE_FACTORS           	pH_WT_SPM_Rim_c	HSA-000043736	Genotype:WT | Treatment:SPM + Rim | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=20250124_MS_HEX-000957_Lipid_Neg_007.mzML; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000957_HALO_Pos_007.mzML
SUBJECT_SAMPLE_FACTORS           	pH_KO_SPM_Rim_b	HSA-000043747	Genotype:ATP13A2 KO | Treatment:SPM + Rim | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=20250124_MS_HEX-000957_Lipid_Neg_008.mzML; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000957_HALO_Pos_008.mzML
SUBJECT_SAMPLE_FACTORS           	pH_WT_Rim_a	HSA-000043731	Genotype:WT | Treatment:Rim | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=20250124_MS_HEX-000957_Lipid_Neg_009.mzML; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000957_HALO_Pos_009.mzML
SUBJECT_SAMPLE_FACTORS           	pH_WT_Rim_b	HSA-000043732	Genotype:WT | Treatment:Rim | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=20250124_MS_HEX-000957_Lipid_Neg_010.mzML; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000957_HALO_Pos_010.mzML
SUBJECT_SAMPLE_FACTORS           	pH_WT_SPM_Rim_b	HSA-000043735	Genotype:WT | Treatment:SPM + Rim | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=20250124_MS_HEX-000957_Lipid_Neg_011.mzML; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000957_HALO_Pos_011.mzML
SUBJECT_SAMPLE_FACTORS           	pH_KO_SPM_c	HSA-000043742	Genotype:ATP13A2 KO | Treatment:SPM | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=20250124_MS_HEX-000957_Lipid_Neg_012.mzML; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000957_HALO_Pos_012.mzML
SUBJECT_SAMPLE_FACTORS           	pH_KO_SPM_Rim_a	HSA-000043746	Genotype:ATP13A2 KO | Treatment:SPM + Rim | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=20250124_MS_HEX-000957_Lipid_Neg_013.mzML; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000957_HALO_Pos_013.mzML
SUBJECT_SAMPLE_FACTORS           	pH_KO_a	HSA-000043737	Genotype:ATP13A2 KO | Treatment:PBS | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=20250124_MS_HEX-000957_Lipid_Neg_014.mzML; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000957_HALO_Pos_014.mzML
SUBJECT_SAMPLE_FACTORS           	Pool1_002	HSA-000043815	Genotype:NA | Treatment:NA | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=20250124_MS_HEX-000957_Lipid_Neg_015.mzML; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000957_HALO_Pos_015.mzML
SUBJECT_SAMPLE_FACTORS           	pH_WT_Rim_c	HSA-000043733	Genotype:WT | Treatment:Rim | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=20250124_MS_HEX-000957_Lipid_Neg_016.mzML; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000957_HALO_Pos_016.mzML
SUBJECT_SAMPLE_FACTORS           	pH_KO_SPM_a	HSA-000043740	Genotype:ATP13A2 KO | Treatment:SPM | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=20250124_MS_HEX-000957_Lipid_Neg_017.mzML; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000957_HALO_Pos_017.mzML
SUBJECT_SAMPLE_FACTORS           	pH_WT_SPM_a	HSA-000043728	Genotype:WT | Treatment:SPM | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=20250124_MS_HEX-000957_Lipid_Neg_018.mzML; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000957_HALO_Pos_018.mzML
SUBJECT_SAMPLE_FACTORS           	pH_WT_SPM_c	HSA-000043730	Genotype:WT | Treatment:SPM | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=20250124_MS_HEX-000957_Lipid_Neg_019.mzML; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000957_HALO_Pos_019.mzML
SUBJECT_SAMPLE_FACTORS           	pH_KO_SPM_Rim_c	HSA-000043748	Genotype:ATP13A2 KO | Treatment:SPM + Rim | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=20250124_MS_HEX-000957_Lipid_Neg_020.mzML; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000957_HALO_Pos_020.mzML
SUBJECT_SAMPLE_FACTORS           	pH_KO_Rim_b	HSA-000043744	Genotype:ATP13A2 KO | Treatment:Rim | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=20250124_MS_HEX-000957_Lipid_Neg_021.mzML; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000957_HALO_Pos_021.mzML
SUBJECT_SAMPLE_FACTORS           	pH_WT_a	HSA-000043725	Genotype:WT | Treatment:PBS | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=20250124_MS_HEX-000957_Lipid_Neg_022.mzML; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000957_HALO_Pos_022.mzML
SUBJECT_SAMPLE_FACTORS           	pH_WT_c	HSA-000043727	Genotype:WT | Treatment:PBS | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=20250124_MS_HEX-000957_Lipid_Neg_023.mzML; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000957_HALO_Pos_023.mzML
SUBJECT_SAMPLE_FACTORS           	pH_WT_SPM_Rim_a	HSA-000043734	Genotype:WT | Treatment:SPM + Rim | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=20250124_MS_HEX-000957_Lipid_Neg_024.mzML; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000957_HALO_Pos_024.mzML
SUBJECT_SAMPLE_FACTORS           	pH_KO_SPM_b	HSA-000043741	Genotype:ATP13A2 KO | Treatment:SPM | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=20250124_MS_HEX-000957_Lipid_Neg_025.mzML; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000957_HALO_Pos_025.mzML
SUBJECT_SAMPLE_FACTORS           	pH_KO_Rim_c	HSA-000043745	Genotype:ATP13A2 KO | Treatment:Rim | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=20250124_MS_HEX-000957_Lipid_Neg_026.mzML; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000957_HALO_Pos_026.mzML
SUBJECT_SAMPLE_FACTORS           	pH_KO_b	HSA-000043738	Genotype:ATP13A2 KO | Treatment:PBS | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=20250124_MS_HEX-000957_Lipid_Neg_027.mzML; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000957_HALO_Pos_027.mzML
SUBJECT_SAMPLE_FACTORS           	Pool1_003	HSA-000043816	Genotype:NA | Treatment:NA | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=20250124_MS_HEX-000957_Lipid_Neg_028.mzML; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000957_HALO_Pos_028.mzML
SUBJECT_SAMPLE_FACTORS           	Pool2_001	HSA-000043817	Genotype:NA | Treatment:NA | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=20250124_MS_HEX-000957_Lipid_Neg_030.mzML; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000957_HALO_Pos_030.mzML
SUBJECT_SAMPLE_FACTORS           	PG_WT_c	HSA-000043754	Genotype:WT | Treatment:PBS | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=20250124_MS_HEX-000957_Lipid_Neg_031.mzML; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000957_HALO_Pos_031.mzML
SUBJECT_SAMPLE_FACTORS           	PG_WT_SPM_DOPC_b	HSA-000043759	Genotype:WT | Treatment:SPM + DOPC | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=20250124_MS_HEX-000957_Lipid_Neg_033.mzML; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000957_HALO_Pos_033.mzML
SUBJECT_SAMPLE_FACTORS           	PG_KO_22 6 PG_b	HSA-000043798	Genotype:ATP13A2 KO | Treatment:22 6 PG | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=20250124_MS_HEX-000957_Lipid_Neg_034.mzML; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000957_HALO_Pos_034.mzML
SUBJECT_SAMPLE_FACTORS           	PG_WT_DOPC_c	HSA-000043769	Genotype:WT | Treatment:DOPC | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=20250124_MS_HEX-000957_Lipid_Neg_035.mzML; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000957_HALO_Pos_035.mzML
SUBJECT_SAMPLE_FACTORS           	PG_KO_c	HSA-000043778	Genotype:ATP13A2 KO | Treatment:PBS | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=20250124_MS_HEX-000957_Lipid_Neg_036.mzML; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000957_HALO_Pos_036.mzML
SUBJECT_SAMPLE_FACTORS           	PG_KO_22 6 PG_a	HSA-000043797	Genotype:ATP13A2 KO | Treatment:22 6 PG | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=20250124_MS_HEX-000957_Lipid_Neg_037.mzML; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000957_HALO_Pos_037.mzML
SUBJECT_SAMPLE_FACTORS           	PG_KO_SPM_22 6 PG_b	HSA-000043789	Genotype:ATP13A2 KO | Treatment:SPM + 22 6 PG | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=20250124_MS_HEX-000957_Lipid_Neg_038.mzML; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000957_HALO_Pos_038.mzML
SUBJECT_SAMPLE_FACTORS           	PG_WT_SPM_c	HSA-000043757	Genotype:WT | Treatment:SPM | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=20250124_MS_HEX-000957_Lipid_Neg_039.mzML; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000957_HALO_Pos_039.mzML
SUBJECT_SAMPLE_FACTORS           	PG_WT_SPM_DOPC_c	HSA-000043760	Genotype:WT | Treatment:SPM + DOPC | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=20250124_MS_HEX-000957_Lipid_Neg_040.mzML; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000957_HALO_Pos_040.mzML
SUBJECT_SAMPLE_FACTORS           	PG_KO_a	HSA-000043776	Genotype:ATP13A2 KO | Treatment:PBS | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=20250124_MS_HEX-000957_Lipid_Neg_041.mzML; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000957_HALO_Pos_041.mzML
SUBJECT_SAMPLE_FACTORS           	PG_WT_22 6 PG_c	HSA-000043775	Genotype:WT | Treatment:22 6 PG | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=20250124_MS_HEX-000957_Lipid_Neg_042.mzML; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000957_HALO_Pos_042.mzML
SUBJECT_SAMPLE_FACTORS           	PG_WT_SPM_a	HSA-000043755	Genotype:WT | Treatment:SPM | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=20250124_MS_HEX-000957_Lipid_Neg_043.mzML; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000957_HALO_Pos_043.mzML
SUBJECT_SAMPLE_FACTORS           	PG_WT_b	HSA-000043753	Genotype:WT | Treatment:PBS | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=20250124_MS_HEX-000957_Lipid_Neg_044.mzML; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000957_HALO_Pos_044.mzML
SUBJECT_SAMPLE_FACTORS           	PG_KO_22 6 PG_c	HSA-000043799	Genotype:ATP13A2 KO | Treatment:22 6 PG | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=20250124_MS_HEX-000957_Lipid_Neg_045.mzML; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000957_HALO_Pos_045.mzML
SUBJECT_SAMPLE_FACTORS           	PG_KO_SPM_DOPC_a	HSA-000043782	Genotype:ATP13A2 KO | Treatment:SPM + DOPC | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=20250124_MS_HEX-000957_Lipid_Neg_046.mzML; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000957_HALO_Pos_046.mzML
SUBJECT_SAMPLE_FACTORS           	PG_WT_DOPC_b	HSA-000043768	Genotype:WT | Treatment:DOPC | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=20250124_MS_HEX-000957_Lipid_Neg_049.mzML; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000957_HALO_Pos_049.mzML
SUBJECT_SAMPLE_FACTORS           	PG_WT_SPM_22 6 PG_c	HSA-000043766	Genotype:WT | Treatment:SPM + 22 6 PG | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=20250124_MS_HEX-000957_Lipid_Neg_051.mzML; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000957_HALO_Pos_051.mzML
SUBJECT_SAMPLE_FACTORS           	PG_WT_SPM_DOPC_a	HSA-000043758	Genotype:WT | Treatment:SPM + DOPC | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=20250124_MS_HEX-000957_Lipid_Neg_054.mzML; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000957_HALO_Pos_054.mzML
SUBJECT_SAMPLE_FACTORS           	Pool2_002	HSA-000043818	Genotype:NA | Treatment:NA | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=20250124_MS_HEX-000957_Lipid_Neg_055.mzML; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000957_HALO_Pos_055.mzML
SUBJECT_SAMPLE_FACTORS           	PG_WT_SPM_22 6 PG_a	HSA-000043764	Genotype:WT | Treatment:SPM + 22 6 PG | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=20250124_MS_HEX-000957_Lipid_Neg_057.mzML; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000957_HALO_Pos_057.mzML
SUBJECT_SAMPLE_FACTORS           	PG_KO_SPM_22 6 PG_c	HSA-000043790	Genotype:ATP13A2 KO | Treatment:SPM + 22 6 PG | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=20250124_MS_HEX-000957_Lipid_Neg_059.mzML; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000957_HALO_Pos_059.mzML
SUBJECT_SAMPLE_FACTORS           	PG_KO_SPM_DOPC_c	HSA-000043784	Genotype:ATP13A2 KO | Treatment:SPM + DOPC | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=20250124_MS_HEX-000957_Lipid_Neg_060.mzML; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000957_HALO_Pos_060.mzML
SUBJECT_SAMPLE_FACTORS           	PG_KO_DOPC_c	HSA-000043793	Genotype:ATP13A2 KO | Treatment:DOPC | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=20250124_MS_HEX-000957_Lipid_Neg_062.mzML; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000957_HALO_Pos_062.mzML
SUBJECT_SAMPLE_FACTORS           	PG_WT_SPM_b	HSA-000043756	Genotype:WT | Treatment:SPM | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=20250124_MS_HEX-000957_Lipid_Neg_063.mzML; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000957_HALO_Pos_063.mzML
SUBJECT_SAMPLE_FACTORS           	PG_WT_22 6 PG_a	HSA-000043773	Genotype:WT | Treatment:22 6 PG | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=20250124_MS_HEX-000957_Lipid_Neg_064.mzML; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000957_HALO_Pos_064.mzML
SUBJECT_SAMPLE_FACTORS           	PG_KO_DOPC_b	HSA-000043792	Genotype:ATP13A2 KO | Treatment:DOPC | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=20250124_MS_HEX-000957_Lipid_Neg_065.mzML; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000957_HALO_Pos_065.mzML
SUBJECT_SAMPLE_FACTORS           	PG_KO_DOPC_a	HSA-000043791	Genotype:ATP13A2 KO | Treatment:DOPC | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=20250124_MS_HEX-000957_Lipid_Neg_066.mzML; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000957_HALO_Pos_066.mzML
SUBJECT_SAMPLE_FACTORS           	PG_WT_a	HSA-000043752	Genotype:WT | Treatment:PBS | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=20250124_MS_HEX-000957_Lipid_Neg_067.mzML; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000957_HALO_Pos_067.mzML
SUBJECT_SAMPLE_FACTORS           	PG_KO_b	HSA-000043777	Genotype:ATP13A2 KO | Treatment:PBS | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=20250124_MS_HEX-000957_Lipid_Neg_069.mzML; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000957_HALO_Pos_069.mzML
SUBJECT_SAMPLE_FACTORS           	PG_KO_SPM_DOPC_b	HSA-000043783	Genotype:ATP13A2 KO | Treatment:SPM + DOPC | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=20250124_MS_HEX-000957_Lipid_Neg_070.mzML; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000957_HALO_Pos_070.mzML
SUBJECT_SAMPLE_FACTORS           	PG_KO_SPM_c	HSA-000043781	Genotype:ATP13A2 KO | Treatment:SPM | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=20250124_MS_HEX-000957_Lipid_Neg_071.mzML; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000957_HALO_Pos_071.mzML
SUBJECT_SAMPLE_FACTORS           	PG_WT_DOPC_a	HSA-000043767	Genotype:WT | Treatment:DOPC | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=20250124_MS_HEX-000957_Lipid_Neg_072.mzML; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000957_HALO_Pos_072.mzML
SUBJECT_SAMPLE_FACTORS           	PG_WT_22 6 PG_b	HSA-000043774	Genotype:WT | Treatment:22 6 PG | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=20250124_MS_HEX-000957_Lipid_Neg_075.mzML; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000957_HALO_Pos_075.mzML
SUBJECT_SAMPLE_FACTORS           	PG_WT_SPM_22 6 PG_b	HSA-000043765	Genotype:WT | Treatment:SPM + 22 6 PG | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=20250124_MS_HEX-000957_Lipid_Neg_076.mzML; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000957_HALO_Pos_076.mzML
SUBJECT_SAMPLE_FACTORS           	PG_KO_SPM_a	HSA-000043779	Genotype:ATP13A2 KO | Treatment:SPM | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=20250124_MS_HEX-000957_Lipid_Neg_077.mzML; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000957_HALO_Pos_077.mzML
SUBJECT_SAMPLE_FACTORS           	PG_KO_SPM_b	HSA-000043780	Genotype:ATP13A2 KO | Treatment:SPM | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=20250124_MS_HEX-000957_Lipid_Neg_078.mzML; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000957_HALO_Pos_078.mzML
SUBJECT_SAMPLE_FACTORS           	PG_KO_SPM_22 6 PG_a	HSA-000043788	Genotype:ATP13A2 KO | Treatment:SPM + 22 6 PG | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=20250124_MS_HEX-000957_Lipid_Neg_079.mzML; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000957_HALO_Pos_079.mzML
SUBJECT_SAMPLE_FACTORS           	Pool2_003	HSA-000043819	Genotype:NA | Treatment:NA | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=-; RAW_FILE_NAME(Raw Source Name.LN)=20250124_MS_HEX-000957_Lipid_Neg_080.mzML; RAW_FILE_NAME(Raw Source Name.MP)=-; RAW_FILE_NAME(Raw Source Name.MN)=-; RAW_FILE_NAME(Raw Source Name.HALO)=20250122_MS_HEX-000957_HALO_Pos_080.mzML
SUBJECT_SAMPLE_FACTORS           	Pool_Lyso_001	HSA-000038939	Genotype:NA | Treatment:NA | Sample source:HAP1 | Sample Type:lysosome	RAW_FILE_NAME(Raw Source Name.BZC)=20240905_MS_HEX-000820_PolyA_BzC_Pos_002.mzML; RAW_FILE_NAME(Raw Source Name.LN)=-; RAW_FILE_NAME(Raw Source Name.MP)=20240904_MS_HEX-000820_Met_Pos_002.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20240905_MS_HEX-000820_Met_Neg_002.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=-
SUBJECT_SAMPLE_FACTORS           	WT #1 Lyso	HSA-000038932	Genotype:WT | Treatment:none | Sample source:HAP1 | Sample Type:lysosome	RAW_FILE_NAME(Raw Source Name.BZC)=20240905_MS_HEX-000820_PolyA_BzC_Pos_003.mzML; RAW_FILE_NAME(Raw Source Name.LN)=-; RAW_FILE_NAME(Raw Source Name.MP)=20240904_MS_HEX-000820_Met_Pos_003.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20240905_MS_HEX-000820_Met_Neg_003.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=-
SUBJECT_SAMPLE_FACTORS           	WT #2 Lyso	HSA-000038933	Genotype:WT | Treatment:none | Sample source:HAP1 | Sample Type:lysosome	RAW_FILE_NAME(Raw Source Name.BZC)=20240905_MS_HEX-000820_PolyA_BzC_Pos_007.mzML; RAW_FILE_NAME(Raw Source Name.LN)=-; RAW_FILE_NAME(Raw Source Name.MP)=20240904_MS_HEX-000820_Met_Pos_007.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20240905_MS_HEX-000820_Met_Neg_007.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=-
SUBJECT_SAMPLE_FACTORS           	Pool_Lyso_002	HSA-000040325	Genotype:NA | Treatment:NA | Sample source:HAP1 | Sample Type:lysosome	RAW_FILE_NAME(Raw Source Name.BZC)=20240905_MS_HEX-000820_PolyA_BzC_Pos_008.mzML; RAW_FILE_NAME(Raw Source Name.LN)=-; RAW_FILE_NAME(Raw Source Name.MP)=20240904_MS_HEX-000820_Met_Pos_008.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20240905_MS_HEX-000820_Met_Neg_008.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=-
SUBJECT_SAMPLE_FACTORS           	WT #3 Lyso	HSA-000038934	Genotype:WT | Treatment:none | Sample source:HAP1 | Sample Type:lysosome	RAW_FILE_NAME(Raw Source Name.BZC)=20240905_MS_HEX-000820_PolyA_BzC_Pos_009.mzML; RAW_FILE_NAME(Raw Source Name.LN)=-; RAW_FILE_NAME(Raw Source Name.MP)=20240904_MS_HEX-000820_Met_Pos_009.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20240905_MS_HEX-000820_Met_Neg_009.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=-
SUBJECT_SAMPLE_FACTORS           	KO #2 Lyso	HSA-000038936	Genotype:ATP13A2 KO | Treatment:none | Sample source:HAP1 | Sample Type:lysosome	RAW_FILE_NAME(Raw Source Name.BZC)=20240905_MS_HEX-000820_PolyA_BzC_Pos_011.mzML; RAW_FILE_NAME(Raw Source Name.LN)=-; RAW_FILE_NAME(Raw Source Name.MP)=20240904_MS_HEX-000820_Met_Pos_011.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20240905_MS_HEX-000820_Met_Neg_011.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=-
SUBJECT_SAMPLE_FACTORS           	Pool_Lyso_003	HSA-000040326	Genotype:NA | Treatment:NA | Sample source:HAP1 | Sample Type:lysosome	RAW_FILE_NAME(Raw Source Name.BZC)=20240905_MS_HEX-000820_PolyA_BzC_Pos_016.mzML; RAW_FILE_NAME(Raw Source Name.LN)=-; RAW_FILE_NAME(Raw Source Name.MP)=20240904_MS_HEX-000820_Met_Pos_016.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20240905_MS_HEX-000820_Met_Neg_016.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=-
SUBJECT_SAMPLE_FACTORS           	KO #1 Lyso	HSA-000038935	Genotype:ATP13A2 KO | Treatment:none | Sample source:HAP1 | Sample Type:lysosome	RAW_FILE_NAME(Raw Source Name.BZC)=20240905_MS_HEX-000820_PolyA_BzC_Pos_019.mzML; RAW_FILE_NAME(Raw Source Name.LN)=-; RAW_FILE_NAME(Raw Source Name.MP)=20240904_MS_HEX-000820_Met_Pos_019.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20240905_MS_HEX-000820_Met_Neg_019.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=-
SUBJECT_SAMPLE_FACTORS           	KO #3 Lyso	HSA-000038937	Genotype:ATP13A2 KO | Treatment:none | Sample source:HAP1 | Sample Type:lysosome	RAW_FILE_NAME(Raw Source Name.BZC)=20240905_MS_HEX-000820_PolyA_BzC_Pos_022.mzML; RAW_FILE_NAME(Raw Source Name.LN)=-; RAW_FILE_NAME(Raw Source Name.MP)=20240904_MS_HEX-000820_Met_Pos_022.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20240905_MS_HEX-000820_Met_Neg_022.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=-
SUBJECT_SAMPLE_FACTORS           	Pool_Lyso_004	HSA-000040327	Genotype:NA | Treatment:NA | Sample source:HAP1 | Sample Type:lysosome	RAW_FILE_NAME(Raw Source Name.BZC)=20240905_MS_HEX-000820_PolyA_BzC_Pos_023.mzML; RAW_FILE_NAME(Raw Source Name.LN)=-; RAW_FILE_NAME(Raw Source Name.MP)=20240904_MS_HEX-000820_Met_Pos_023.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20240905_MS_HEX-000820_Met_Neg_023.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=-
SUBJECT_SAMPLE_FACTORS           	Pool_WCL_001	HSA-000038938	Genotype:NA | Treatment:NA | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=20240905_MS_HEX-000820_PolyA_BzC_Pos_024.mzML; RAW_FILE_NAME(Raw Source Name.LN)=-; RAW_FILE_NAME(Raw Source Name.MP)=20240904_MS_HEX-000820_Met_Pos_024.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20240905_MS_HEX-000820_Met_Neg_024.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=-
SUBJECT_SAMPLE_FACTORS           	KO #1 WCL	HSA-000038929	Genotype:ATP13A2 KO | Treatment:none | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=20240905_MS_HEX-000820_PolyA_BzC_Pos_028.mzML; RAW_FILE_NAME(Raw Source Name.LN)=-; RAW_FILE_NAME(Raw Source Name.MP)=20240904_MS_HEX-000820_Met_Pos_028.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20240905_MS_HEX-000820_Met_Neg_028.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=-
SUBJECT_SAMPLE_FACTORS           	KO #2 WCL	HSA-000038930	Genotype:ATP13A2 KO | Treatment:none | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=20240905_MS_HEX-000820_PolyA_BzC_Pos_029.mzML; RAW_FILE_NAME(Raw Source Name.LN)=-; RAW_FILE_NAME(Raw Source Name.MP)=20240904_MS_HEX-000820_Met_Pos_029.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20240905_MS_HEX-000820_Met_Neg_029.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=-
SUBJECT_SAMPLE_FACTORS           	KO #3 WCL	HSA-000038931	Genotype:ATP13A2 KO | Treatment:none | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=20240905_MS_HEX-000820_PolyA_BzC_Pos_030.mzML; RAW_FILE_NAME(Raw Source Name.LN)=-; RAW_FILE_NAME(Raw Source Name.MP)=20240904_MS_HEX-000820_Met_Pos_030.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20240905_MS_HEX-000820_Met_Neg_030.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=-
SUBJECT_SAMPLE_FACTORS           	Pool_WCL_002	HSA-000040322	Genotype:NA | Treatment:NA | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=20240905_MS_HEX-000820_PolyA_BzC_Pos_031.mzML; RAW_FILE_NAME(Raw Source Name.LN)=-; RAW_FILE_NAME(Raw Source Name.MP)=20240904_MS_HEX-000820_Met_Pos_031.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20240905_MS_HEX-000820_Met_Neg_031.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=-
SUBJECT_SAMPLE_FACTORS           	WT #2 WCL	HSA-000038927	Genotype:WT | Treatment:none | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=20240905_MS_HEX-000820_PolyA_BzC_Pos_036.mzML; RAW_FILE_NAME(Raw Source Name.LN)=-; RAW_FILE_NAME(Raw Source Name.MP)=20240904_MS_HEX-000820_Met_Pos_036.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20240905_MS_HEX-000820_Met_Neg_036.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=-
SUBJECT_SAMPLE_FACTORS           	WT #1 WCL	HSA-000038926	Genotype:WT | Treatment:none | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=20240905_MS_HEX-000820_PolyA_BzC_Pos_037.mzML; RAW_FILE_NAME(Raw Source Name.LN)=-; RAW_FILE_NAME(Raw Source Name.MP)=20240904_MS_HEX-000820_Met_Pos_037.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20240905_MS_HEX-000820_Met_Neg_037.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=-
SUBJECT_SAMPLE_FACTORS           	Pool_WCL_003	HSA-000040323	Genotype:NA | Treatment:NA | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=20240905_MS_HEX-000820_PolyA_BzC_Pos_038.mzML; RAW_FILE_NAME(Raw Source Name.LN)=-; RAW_FILE_NAME(Raw Source Name.MP)=20240904_MS_HEX-000820_Met_Pos_038.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20240905_MS_HEX-000820_Met_Neg_038.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=-
SUBJECT_SAMPLE_FACTORS           	WT #3 WCL	HSA-000038928	Genotype:WT | Treatment:none | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=20240905_MS_HEX-000820_PolyA_BzC_Pos_043.mzML; RAW_FILE_NAME(Raw Source Name.LN)=-; RAW_FILE_NAME(Raw Source Name.MP)=20240904_MS_HEX-000820_Met_Pos_043.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20240905_MS_HEX-000820_Met_Neg_043.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=-
SUBJECT_SAMPLE_FACTORS           	Pool_WCL_004	HSA-000040324	Genotype:NA | Treatment:NA | Sample source:HAP1 | Sample Type:whole cell lysate	RAW_FILE_NAME(Raw Source Name.BZC)=20240905_MS_HEX-000820_PolyA_BzC_Pos_045.mzML; RAW_FILE_NAME(Raw Source Name.LN)=-; RAW_FILE_NAME(Raw Source Name.MP)=20240904_MS_HEX-000820_Met_Pos_045.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20240905_MS_HEX-000820_Met_Neg_045.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=-
#COLLECTION
CO:COLLECTION_SUMMARY            	Human HAP1 parental WT and ATP13A2 KO cells (~25,000) were washed 1x with 0.9%
CO:COLLECTION_SUMMARY            	sodium chloride and harvested for metabolite and lipid extraction. Lysosomal
CO:COLLECTION_SUMMARY            	fractions were isolated from HAP1 parental WT and ATP13A2 KO cells following
CO:COLLECTION_SUMMARY            	endocytosis-mediated labeling using superparamagnetic iron oxide nanoparticles
CO:COLLECTION_SUMMARY            	(SPION). HAP1 cells were seeded in 3X 10cm tissue culture dishes and allowed to
CO:COLLECTION_SUMMARY            	grow till ~75% confluency at which time they were treated for 24 h with 10%
CO:COLLECTION_SUMMARY            	(v/v) dextran-magnetite solution (DexoMAG40, Liquids Research Ltd.). The cells
CO:COLLECTION_SUMMARY            	were rinsed with warmed 1X PBS, pH 7.4 (Gibco; # 10010023) to remove residual
CO:COLLECTION_SUMMARY            	extracellular dextran-magnetite and re-supplemented with fresh culture medium
CO:COLLECTION_SUMMARY            	for at least 4 h to allow for specific labeling of lysosomes and late endosomes.
CO:COLLECTION_SUMMARY            	Cells were harvested by scraping with ice cold 1X PBS and centrifugation at 300
CO:COLLECTION_SUMMARY            	x g for 5 min at 4°C; resuspended in isolation buffer (250mM sucrose, 10 mM
CO:COLLECTION_SUMMARY            	HEPES, 1 mM CaCl2, 1 mM MgCl2, 1 mM DTT, cOmplete Protease Inhibitor (Roche;
CO:COLLECTION_SUMMARY            	#04693132001)), and replicates pooled by centrifugation into 1 mL lysis buffer.
CO:COLLECTION_SUMMARY            	Cells were lysed using a 27G needle for 20 strokes, followed by centrifugation
CO:COLLECTION_SUMMARY            	of the cell lysate at 600 x g for 10 min at 4°C. Post-nuclear supernatant (PNS)
CO:COLLECTION_SUMMARY            	was collected, and pellet was resuspended in 1 mL isolation buffer followed by
CO:COLLECTION_SUMMARY            	another round of needle lysis and PNS collection to capture maximum lysosomes.
CO:COLLECTION_SUMMARY            	Pooled supernatants from both rounds of needle lysis were then loaded onto LS
CO:COLLECTION_SUMMARY            	columns (Miltenyi Biotec; #130-042-401), attached to Quadro MACS magnet, that
CO:COLLECTION_SUMMARY            	were already pre equilibrated with chilled isolation buffer. Flowthrough was
CO:COLLECTION_SUMMARY            	collected after passing the PNS through the column by gravity flow and passed
CO:COLLECTION_SUMMARY            	through the column again to increase retention of unbound labeled lysosomes.
CO:COLLECTION_SUMMARY            	Finally, the columns were washed three times with isolation buffer to eliminate
CO:COLLECTION_SUMMARY            	other membrane-bound organelle contaminants, and magnetically bound lysosomes
CO:COLLECTION_SUMMARY            	eluted twice into 0.5 mL isolation buffer. The elutes were diluted with 1 mL 1X
CO:COLLECTION_SUMMARY            	PBS, centrifuged at 21,000 x g for 40 min at 4°C. The lysosomal pellet was
CO:COLLECTION_SUMMARY            	resuspended in 200 µL isolation buffer and harvested for metabolite and lipid
CO:COLLECTION_SUMMARY            	extraction.
CO:SAMPLE_TYPE                   	HAP1 cells
CO:STORAGE_CONDITIONS            	-80℃
CO:COLLECTION_VIALS              	Lobind 1.5 mL Eppendorf tubes
CO:STORAGE_VIALS                 	Lobind 1.5 mL Eppendorf tubes
#TREATMENT
TR:TREATMENT_SUMMARY             	Human HAP1 parental WT and ATP13A2 KO cells (Horizon Discovery; WT: C631;
TR:TREATMENT_SUMMARY             	ATP13A2 KO: HZGHC003547c002) were cultured in Iscove’s Modified Dulbecco’s
TR:TREATMENT_SUMMARY             	Medium (IMDM, Gibco; #12440053) supplemented with 10% fetal bovine serum (VWR
TR:TREATMENT_SUMMARY             	Seradigm; #97068-085) and 1% Penicillin/Streptomycin (Gibco; #15140122). No
TR:TREATMENT_SUMMARY             	treatment.Cells were treated for 20 hours with PBS, Rimeporide(Rim), Spermine
TR:TREATMENT_SUMMARY             	(SPM), or a combination of Spermine (SPM) + Rimeporide(Rim), followed by
TR:TREATMENT_SUMMARY             	metabolite extraction. Cells were treated for 20 hours with PBS , Spermine
TR:TREATMENT_SUMMARY             	(SPM), 18:1 (Δ9-Cis) PC (DOPC), 22:6 PG, a combination of Spermine(SPM) + DOPC,
TR:TREATMENT_SUMMARY             	or a combination of Spermine (SPM) + 22:6 PG,followed by metabolite extraction.
TR:TREATMENT_SUMMARY             	NOTE: To evaluate whether BMP can rescue spermine-dependent inhibition, WT HAP1
TR:TREATMENT_SUMMARY             	cells were treated with spermine and supplemented with PG(22:6/22:6), a
TR:TREATMENT_SUMMARY             	structural isomer and precursor of BMP(22:6/22:6). PG (22:6/22:6) was
TR:TREATMENT_SUMMARY             	supplemented due to its lower cost and greater availability, relying on its
TR:TREATMENT_SUMMARY             	established rapid conversion to BMP in lysosomes (see
TR:TREATMENT_SUMMARY             	10.1016/j.bbalip.2021.158916).
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Cells (~25,000) and lysosomal fractions (100 µg) were directly lysed and
SP:SAMPLEPREP_SUMMARY            	extracted in 150 µL methanol containing stable-isotope internal standards for
SP:SAMPLEPREP_SUMMARY            	20 min at 4°C with shaking. The supernatant fraction was transferred to a
SP:SAMPLEPREP_SUMMARY            	96-well sample collection plate (Waters; #186005837) following a 14,000 x g spin
SP:SAMPLEPREP_SUMMARY            	at 4°C for 20 min from which the supernatant was distributed for the LC-MS/MS
SP:SAMPLEPREP_SUMMARY            	analyses.
SP:PROCESSING_STORAGE_CONDITIONS 	On ice
SP:EXTRACT_STORAGE               	-20℃
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	HILIC
CH:INSTRUMENT_NAME               	Agilent 1290 Infinity II
CH:COLUMN_NAME                   	Waters ACQUITY UPLC BEH Amide (150 x 2.1mm,1.7um)
CH:SOLVENT_A                     	60% acetonitrile/40% water; with 10 mM ammonium formate; 0.1% formic acid
CH:SOLVENT_B                     	90% isopropyl alcohol/10% acetonitrile; 10 mM ammonium formate; 0.1% formic acid
CH:FLOW_GRADIENT                 	0.0-8.0 min from 45% B to 99% B, 8.0-9.0 min at 99% B, 9.0-9.1 min to 45% B, and
CH:FLOW_GRADIENT                 	9.1-10.0 min at 45% B.
CH:FLOW_RATE                     	0.25 mL/min
CH:COLUMN_TEMPERATURE            	55
CH:SAMPLE_INJECTION              	5
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	ABI Sciex 6500+ QTrap
MS:INSTRUMENT_TYPE               	Triple quadrupole
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	curtain gas at 30 psi; collision gas was set at medium; ion spray voltage at
MS:MS_COMMENTS                   	5,500 V; temperature at 600°C; ion source Gas 1 at 50 psi; ion source Gas 2 at
MS:MS_COMMENTS                   	60 psi
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	normalized peak area
MS_METABOLITE_DATA_START
Samples	HSA-000038939	HSA-000038932	HSA-000038933	HSA-000040325	HSA-000038934	HSA-000038936	HSA-000040326	HSA-000038935	HSA-000038937	HSA-000040327	HSA-000038938	HSA-000038929	HSA-000038930	HSA-000038931	HSA-000040322	HSA-000038927	HSA-000038926	HSA-000040323	HSA-000038928	HSA-000040324
Factors	Genotype:NA | Treatment:NA | Sample source:HAP1 | Sample Type:lysosome	Genotype:WT | Treatment:none | Sample source:HAP1 | Sample Type:lysosome	Genotype:WT | Treatment:none | Sample source:HAP1 | Sample Type:lysosome	Genotype:NA | Treatment:NA | Sample source:HAP1 | Sample Type:lysosome	Genotype:WT | Treatment:none | Sample source:HAP1 | Sample Type:lysosome	Genotype:ATP13A2 KO | Treatment:none | Sample source:HAP1 | Sample Type:lysosome	Genotype:NA | Treatment:NA | Sample source:HAP1 | Sample Type:lysosome	Genotype:ATP13A2 KO | Treatment:none | Sample source:HAP1 | Sample Type:lysosome	Genotype:ATP13A2 KO | Treatment:none | Sample source:HAP1 | Sample Type:lysosome	Genotype:NA | Treatment:NA | Sample source:HAP1 | Sample Type:lysosome	Genotype:NA | Treatment:NA | Sample source:HAP1 | Sample Type:whole cell lysate	Genotype:ATP13A2 KO | Treatment:none | Sample source:HAP1 | Sample Type:whole cell lysate	Genotype:ATP13A2 KO | Treatment:none | Sample source:HAP1 | Sample Type:whole cell lysate	Genotype:ATP13A2 KO | Treatment:none | Sample source:HAP1 | Sample Type:whole cell lysate	Genotype:NA | Treatment:NA | Sample source:HAP1 | Sample Type:whole cell lysate	Genotype:WT | Treatment:none | Sample source:HAP1 | Sample Type:whole cell lysate	Genotype:WT | Treatment:none | Sample source:HAP1 | Sample Type:whole cell lysate	Genotype:NA | Treatment:NA | Sample source:HAP1 | Sample Type:whole cell lysate	Genotype:WT | Treatment:none | Sample source:HAP1 | Sample Type:whole cell lysate	Genotype:NA | Treatment:NA | Sample source:HAP1 | Sample Type:whole cell lysate
1,3-15N2-Uric acid	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
1-Methylhistidine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
1-Methylnicotinamide	4.932	0.361	2.434	5.398	1.392	184.117	3.868	0.872	7.269	4.121	110.105	115.14	834.949	96.964	109.073	67.225	216.356	114.097	75.35	125.697
1-Methylxanthine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
1-Methylxanthosine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
13C10,15N5-Adenosine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
13C3-Thiamine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
13C5-Hypoxanthine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
13C5-Xanthosine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
15N4-Inosine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
2-Aminobenzoic acid	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
3-Hydroxy-N6,N6,N6-Trimethyllysine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	0.005	0.009	0.014	0.01	0.004	0.011	0.01	0.005	0.009	0.005
3-Hydroxybutyric acid	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
3-Hydroxykynurenine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
3-Hydroxytyrosol	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
3-Methoxytyrosine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
3-Methylxanthine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
3-Methylxanthosine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
4-Hydroxyproline	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	0.022	0.033	0.062	0.05	0.022	0.049	0.076	0.022	0.053	0.027
4-Trimethylammoniobutanal	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	0.027	0.043	0.06	0.062	0.031	0.053	0.057	0.035	0.069	0.029
5'-Methylthioadenosine	0.03	0.005	0.021	0.03	0.027	0.243	0.028	0.004	0.131	0.037	0.525	0.502	0.267	0.828	0.682	1.367	2.728	0.395	0.902	0.608
5-Glutamylalanine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
5-Hydroxyindoleacetic acid	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	0.007	0.012	0.024	0.018	0.007	0.015	0.009	0.008	0.014	0.009
5-Hydroxytryptophan	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
6-Aminouracil	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
6C13-Phenylalanine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
6C13-Tyrosine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
7-Methylguanine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
7-Methylguanosine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
7-Methylxanthine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
7-Methylxanthosine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
7-alpha-Hydroxy-3-oxo-4-cholestenoate	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
8-Hydroxy-deoxyguanosine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
8-Hydroxyguanosine	0.098	0.094	0.094	0.129	0.09	0.227	0.097	0.083	0.102	0.11	0.09	0.072	0.116	0.061	0.127	0.068	0.338	0.096	0.048	0.088
8-Oxo-deoxyguanosine-13C,15N2	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
9-Hexadecenoylcarnitine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
AICA-riboside	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Acetylcarnitine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	0.371	0.614	0.663	0.704	0.376	0.583	1.231	0.374	0.647	0.372
Acetylcarnitine-d3	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Adenine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	14.81	43.448	38.956	25.421	15.736	60.978	19.463	18.93	47.969	15.038
Adenosine	0.574	0.854	0.737	0.602	0.681	5.312	0.582	0.284	0.825	0.602	6.755	15.362	2.931	4.301	6.85	14.326	11.932	6.852	10.4	7.162
Adenosine diphosphate ribose	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Adenosylcobalamin	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Alanine	0.085	0.062	0.054	0.134	0.078	0.585	0.109	0.049	0.176	0.089	7.166	10.331	15.656	14.804	7.192	15.7	13.967	7.532	15.641	7.326
Alanine-d4	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Arabitol	0.134	0.239	0.095	0.122	0.202	0.354	0.134	0.091	0.53	0.113	4.989	5.381	27.427	6.653	3.621	4.599	5.167	4.122	5.958	3.634
Arginine	0.142	0.081	0.098	0.12	0.137	0.503	0.134	0.068	0.278	0.137	3.034	4.884	6.178	7.172	3.45	5.744	6.072	3.469	8.249	3.437
Arginine-d4C13	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Ascorbate	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Asparagine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	40.049	44.407	134.784	64.005	26.003	59.029	77.144	22.559	62.858	28.773
Aspartic acid	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	28.633	21.69	41.668	22.428	24.382	33.627	74.656	23.073	44.734	19.074
Aspartic acid-d3	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Asymmetric dimethylarginine	6.632	2.798	5.615	4.003	6.395	18.77	4.987	1.93	10.991	5.887	108.708	115.581	362.319	125.614	62.24	212.542	224.127	58.585	238.96	102.923
Betaine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	400.379	592.403	708.73	606.712	359.602	547.69	510.026	385.565	605.239	368.525
Betaine-d11	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Bilirubin	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Butyrobetaine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	0.58	1.146	1.391	1.462	0.598	1.353	0.329	0.603	1.142	0.531
Butyrylcarnitine	0.01	0.004	0.011	0.009	0.016	0.044	0.009	0.002	0.029	0.01	0.617	0.78	1.248	0.991	0.645	1.468	1.503	0.658	1.533	0.595
Butyrylcarnitine-d3	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Cadaverine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Caffeine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Capsaicin	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Carnitine	0.042	0.018	0.028	0.039	0.03	0.456	0.039	0.009	0.092	0.035	2.246	3.633	5.633	4.99	2.337	4.476	3.559	2.217	4.822	2.309
Carnitine-d9	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Choline	0.68	0.123	0.449	0.695	0.306	10.354	0.725	0.111	1.304	0.706	20.07	22.985	66.028	26.393	18.818	37.348	24.326	20.014	27.275	19.348
Citrulline	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	0.139	0.137	0.348	0.406	0.124	0.179	0.204	0.192	0.317	0.164
Citrulline-d2	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Cotinine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Creatine	5.174	0.497	4.074	5.233	2.927	88.952	4.778	0.666	11.492	5.09	775.949	1163.813	1589.58	1143.833	698.916	1521.049	1742.212	810.017	1309.865	821.481
Creatinine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	5.991	10.151	24.694	13.658	5.882	10.158	14.572	6.075	14.161	7.353
Creatinine-d3	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Curcumin	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Cyanocobalamin	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Cystathionine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	0.041	0.072	0.25	0.103	0.029	0.216	0.203	0.049	0.199	0.046
Cysteine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	0.927	1.847	5.507	1.579	0.997	1.613	1.012	1.141	1.583	1.076
Cysteinylglycine	0.019	0.018	0.014	0.016	0.015	0.01	0.013	0.011	0.018	0.015	0.027	0.049	0.049	0.04	0.023	0.05	0.062	0.016	0.068	0.044
Cystine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Cytosine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	0.183	0.375	0.785	0.149	0.162	0.137	0.318	0.198	0.11	0.199
DNL201	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Decanoylcarnitine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Demethoxycurcumin	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Deoxyadenosine	0.417	1.264	0.509	0.347	0.454	0.24	0.452	0.252	N.D.	0.332	0.284	1.397	0.352	0.905	0.154	1.622	0.91	0.438	1.305	0.164
Deoxyguanosine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	0.213	0.131	2.129	0.602	0.21	0.293	0.706	0.273	0.309	0.235
Deoxyinosine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Dimethylethanolamine	0.341	0.113	0.234	0.353	0.173	4.81	0.251	0.123	0.291	0.244	7.8	12.58	60.985	11.826	7.921	16.597	2.582	7.688	13.694	8.299
Dimethylglycine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Dodecanoylcarnitine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Dopa	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Dopamine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	0.315	0.237	1.388	0.324	0.38	0.369	2.161	0.395	0.387	0.387
Dopamine 3-o-sulfate	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Dopamine 4-o-sulfate	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Epinephrine	0.002	N.D.	0.003	0.002	0.002	0.014	0.002	0.001	0.004	0.003	0.042	0.054	0.101	0.124	0.047	0.073	0.047	0.047	0.12	0.045
Ergothioneine	0.017	0.013	0.014	0.01	0.014	0.019	0.026	0.021	0.026	0.014	0.067	0.041	0.088	0.078	0.049	0.073	0.061	0.03	0.066	0.044
Ethanolamine	0.019	0.027	0.031	0.021	0.034	0.084	0.038	0.02	0.049	0.015	0.192	0.335	0.367	0.226	0.13	0.295	0.208	0.168	0.227	0.138
Formylanthranilic acid	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Gamma-Glutamylcysteine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Glucosamine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Glucose	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Glutamic acid	4.392	1.052	3.11	4.911	2.614	68.734	4.395	0.94	9.538	5.401	316.321	367.095	420.027	487.141	362.379	413.163	678.501	327.093	528.699	369.678
Glutamic acid-d3	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Glutamine	0.728	0.531	0.368	0.738	0.442	2.193	0.545	0.185	0.68	0.64	106.279	153.31	180.224	243.73	124.259	88.315	136.969	112.454	218.718	139.053
Glutathione	5.822	0.714	1.851	7.144	3.138	30.609	7.856	0.67	21.107	9.992	992.71	1392.672	1335.85	1572.808	1202.094	1448.163	1356.061	1157.09	1648.812	1448.265
Glutathione disulfide	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Glutathione-(glycine-13C2,15N)	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Glycerophosphocholine	115.066	54.409	130.539	70.958	144.771	1524.48	83.331	29.626	280.766	121.997	1557.313	1811.778	3262.104	1847.461	939.93	2974.337	2143.767	722.212	3682.146	1583.324
Glycine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	5.136	5.497	16.894	7.177	4.334	7.372	7.559	3.505	6.266	3.835
Guanine	0.706	0.215	0.189	0.755	0.335	18.759	0.561	0.155	2.738	0.563	67.206	51.595	610.93	50.365	70.951	47.411	260.263	73.442	56.17	85.499
Guanosine	0.025	0.009	0.009	0.029	0.007	2.122	0.016	0.01	0.054	0.018	0.908	1.415	44.691	0.998	1.028	0.915	5.385	1.109	1.027	0.92
Hexanoylcarnitine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	0.015	0.033	0.038	0.035	0.013	0.02	0.027	0.011	0.02	0.014
Histamine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Histidine	0.046	0.032	0.024	0.025	0.024	0.157	0.022	0.015	0.045	0.023	0.554	0.757	1.296	1.37	0.554	0.924	0.48	0.673	1.827	0.899
Homocysteine	0.435	1.583	0.304	0.401	0.799	0.239	0.39	0.297	1.892	0.376	3.186	3.082	3.26	4.104	2.735	3.562	5.858	2.327	5.999	2.341
Homoserine	2.06	0.802	1.744	1.511	1.466	14.997	1.877	0.693	7.554	2.827	197.692	222.087	526.944	278.726	120.304	260.474	274.855	111.413	294.685	129.499
Hydroxybutyrylcarnitine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	0.209	0.492	0.421	0.578	0.259	0.363	0.33	0.234	0.399	0.222
Hydroxyhexanoylcarnitine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Hydroxyisovaleroyl carnitine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Hydroxypropionylcarnitine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Hypoxanthine	2.329	0.153	0.712	2.263	0.798	78.019	2.791	0.419	5.163	2.323	85.94	144.266	549.592	149.83	97.959	141.675	166.526	124.67	189.93	101.425
Imidazoleacetic acid	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Indole	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Inosine	2.989	0.338	1.79	3.689	1.187	52.087	2.597	0.751	4.877	3.311	45.308	60.478	312.819	46.714	51.01	34.287	50.965	52.956	37.818	58.892
Isovalerylcarnitine	0.011	0.008	0.016	0.012	0.022	0.064	0.012	0.007	0.031	0.01	0.505	0.716	1.07	0.81	0.521	1.2	1.971	0.475	1.344	0.52
Isovalerylcarnitine-d9	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Kynurenic acid	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Kynurenine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
LPC(18:1(d7))	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Leucine	0.062	0.029	0.055	0.065	0.076	0.316	0.062	0.033	0.125	0.063	1.023	0.971	2.401	2.754	0.977	1.615	1.355	1.042	2.458	1.036
Leucine-d3	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Linoleyl carnitine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Lysine	0.013	0.007	0.01	0.011	0.011	0.053	0.014	0.006	0.027	0.013	0.487	0.836	1.285	1.326	0.573	1.081	0.892	0.804	1.389	0.557
Mannitol	0.299	0.263	0.339	0.299	0.384	0.391	0.247	0.222	0.413	0.242	3.554	3.746	7.589	5.879	2.507	3.662	18.678	3.065	5.244	2.63
Mannose	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Melatonin	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	0.21	0.321	1.042	0.422	0.206	0.562	1.739	0.189	0.743	0.241
Methionine	0.022	0.01	0.032	0.036	0.037	0.186	0.032	0.022	0.064	0.025	0.396	0.357	1.133	1.054	0.396	0.624	0.566	0.393	1.103	0.373
Methionine S-oxide	0.474	0.431	0.521	0.303	0.447	0.767	0.402	0.214	0.773	0.483	2.544	2.431	6.206	3.475	1.293	2.275	1.891	0.75	2.794	0.899
Methionine-d3	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Methylcobalamin	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Myristoylcarnitine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Myristoylcarnitine-d9	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
N,N'-Bis(gamma-glutamyl)cystine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
N-Acetylalanine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
N-Acetylaspartic acid	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
N-Acetylcysteine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
N-Acetylglutamic acid	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
N-Acetylneuraminic acid	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
N-Acetylputrescine	0.015	0.003	0.012	0.015	0.016	0.17	0.012	0.003	0.057	0.016	1.145	2.55	4.789	2.9	1.012	2.585	2.289	0.99	3.147	0.961
N-Acetylserine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
N-Alpha-acetyllysine	0.02	0.03	0.031	0.026	0.051	0.195	0.048	0.019	0.074	0.026	0.277	0.545	0.703	0.711	0.363	0.469	0.407	0.319	0.732	0.275
N1-Acetylspermidine	11.159	1.508	4.478	8.74	4.65	151.33	12.385	4.561	62.302	16.785	690.526	727.027	2521.489	752.035	428.5	957.26	1406.009	383.538	598.874	419.73
N1-Acetylspermidine-d6	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
N1-Acetylspermine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
N1-N12-Diacetylspermine	0.201	N.D.	0.263	0.339	0.126	0.823	0.203	N.D.	0.672	0.423	3.062	2.025	4.216	2.275	1.404	3.473	4.298	1.578	2.451	1.565
N1-N8-Diacetylspermidine	3.842	0.727	3.302	2.866	3.277	42.771	3.628	0.984	14.727	5.094	149.942	154.399	352.844	154.52	86.279	171.493	156.157	81.774	100.405	89.349
N1-N8-Diacetylspermidine-d6	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
N15C13-Glycine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
N6,N6,N6-Trimethyllysine	0.013	0.01	0.007	0.011	0.014	0.051	0.012	0.005	0.024	0.012	0.207	0.331	0.495	0.546	0.199	0.319	0.278	0.277	0.367	0.151
NAD	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	0.029	0.063	0.11	0.051	0.018	0.047	0.093	0.024	0.069	0.027
Niacinamide	0.024	0.003	0.009	0.022	0.009	0.768	0.021	0.004	0.063	0.023	1.367	1.826	5.586	1.97	1.383	2.013	2.332	1.419	2.068	1.395
Niacinamide-d4	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Nicotinamide mononucleotide	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Nicotinamide riboside	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Nicotinic acid	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	0.01	0.017	0.045	0.016	0.011	0.015	0.017	0.011	0.016	0.009
Nitrotyrosine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Nonanoylcarnitine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Norepinephrine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Octanoylcarnitine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Octanoylcarnitine-d3	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Ornithine	0.14	0.125	0.078	0.06	0.141	0.445	0.083	0.049	0.198	0.107	1.691	3.699	7.729	5	2.931	5.093	4.802	2.823	6.234	3.18
Ornithine-d2	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Palmitoylcarnitine	0.007	0.01	0.009	0.006	0.012	0.059	0.007	0.004	0.03	0.01	0.049	0.027	0.04	0.027	0.05	0.057	0.088	0.055	0.043	0.049
Palmitoylcarnitine-d3	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Paraxanthine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Phenylalanine	0.108	0.037	0.086	0.099	0.102	0.803	0.108	0.059	0.205	0.105	2.65	3.112	6.235	7.357	2.517	4.491	3.596	2.727	7.386	2.601
Piperanine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Piperine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Pipernonaline	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Piperyline	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Proline	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	0.621	0.7	1.323	1.284	0.608	1.014	1.41	0.535	0.944	0.511
Propionylcarnitine	0.026	0.014	0.046	0.029	0.064	0.135	0.031	0.01	0.104	0.026	2.625	3.003	4.256	3.123	2.621	6.166	6.651	2.485	5.759	2.589
Propionylcartinine-d3	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Putrescine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Pyridoxamine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	0.395	0.314	0.264	1.024	0.936	0.921	3.81	2.078
Pyroglutamic acid	0.856	0.911	0.892	1.122	0.93	5.047	1.068	0.519	2.63	1.315	44.784	66.866	120.603	59.926	25.613	111.985	72.591	52.031	90.113	53.363
S-Adenosylhomocysteine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	43.17	52.652	144.68	26.807	25.571	69.518	62.3	22.658	73.205	46.539
S-Adenosylmethionine	0.003	0	0.002	0.004	0.003	0.006	0.004	0.001	0.011	0.005	0.135	0.188	0.115	0.31	0.19	0.683	0.737	0.145	0.83	0.246
Sarcosine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	6.822	10.065	14.923	10.605	7.132	14.807	15.944	7.478	13.02	7.33
Serine	3.439	1.669	3.367	2.133	2.449	25.092	2.956	1.651	9.251	3.635	189.257	194.606	548.129	256.607	105.743	217.445	269.572	96.864	241.944	113.442
Serotonin	0.039	0.008	0.022	0.035	0.029	0.282	0.029	0.014	0.034	0.019	0.333	0.506	1.501	1.025	0.445	0.492	0.393	0.478	0.705	0.6
Spermidine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Spermine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Stearoylcarnitine	0	0	0.001	0.001	0.001	0.005	0.001	0.001	0.002	0.001	0.003	0.003	0.003	0.002	0.004	0.003	0.004	0.004	0.002	0.004
Sucrose	67.644	85.258	68.414	67.471	80.631	82.928	70.825	67.863	110.967	64.681	303.329	624.168	683.678	687.499	227.055	496.789	438.457	277.953	530.886	228.428
Taurine	0.081	0.026	0.138	0.085	0.052	0.157	0.099	0.12	0.017	0.099	0.013	0.012	0.014	0.011	0.015	0.012	0.015	0.018	0.008	0.017
Tetrahydrocurcumin	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Theobromine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Theophylline	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Thiamine	0.126	0.027	0.078	0.133	0.113	1.755	0.134	0.028	0.444	0.146	4.272	4.632	9.545	10.501	4.679	6.675	6.619	4.17	10.5	4.35
Threonine	1.803	0.706	1.472	1.268	1.623	12.795	1.277	0.49	7.481	2.221	190.367	207.03	531.446	274.113	108.97	255.703	272.503	111.458	277.502	119.538
Trigonelline	0.312	0.463	0.361	0.397	0.439	0.305	0.418	0.406	0.664	0.369	1.203	1.44	1.729	1.579	0.974	1.768	1.223	1.201	1.732	1.068
Trimethylamine-N-oxide	0.043	0.044	0.041	0.044	0.036	0.04	0.041	0.04	0.046	0.045	0.076	0.108	0.119	0.145	0.073	0.108	0.1	0.079	0.143	0.075
Trimethylamine-d9 N-oxide	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Tryptophan	0.01	0.004	0.005	0.008	0.009	0.075	0.009	0.004	0.014	0.008	0.185	0.193	0.465	0.423	0.157	0.262	0.236	0.159	0.402	0.155
Tyrosine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Uracil	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Ureidopropionic acid	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Uric acid	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Uridine	0.098	0.044	0.147	0.179	0.117	6.183	0.153	0.056	0.523	0.193	3.757	7.509	22.552	2.762	4.574	5.115	4.541	5.47	6.466	4.515
Valerobetaine	N.D.	N.D.	0.01	0.007	0.011	0.051	0.004	N.D.	0.017	0.007	0.396	0.875	1.005	1.213	0.56	1.004	0.961	0.474	1.027	0.475
Valerobetaine-d9	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Valine	0.001	N.D.	0.001	0	0	0.005	0.001	N.D.	0	0	0.006	0.01	0.021	0.029	0.005	0.011	0.005	0.004	0.026	0.007
Valine-d8	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Xanthine	0.029	0.027	0.024	0.037	0.024	0.078	0.02	0.036	0.031	0.031	0.095	0.277	0.412	0.261	0.107	0.152	0.386	0.093	0.241	0.131
Xanthosine	0.025	0.049	0.015	0.031	0.015	0.3	0.022	0.018	0.074	0.018	0.688	0.645	4.29	1.375	0.616	0.605	2.996	0.759	0.804	0.862
alpha-Tocopherol	0.003	0.003	0.005	0.004	0.005	0.011	0.003	0.002	0.004	0.003	0.027	0.037	0.037	0.026	0.022	0.036	0.011	0.024	0.044	0.018
cADPRibose	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	0.048	0.074	0.094	0.057	0.047	0.056	0.08	0.087	0.058	0.027
gamma-Aminobutyric acid	0.003	0.004	0.002	0.004	0.005	0.004	0.004	0.002	0.009	0.003	0.069	0.106	0.163	0.116	0.046	0.099	0.153	0.062	0.118	0.044
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	Expected RT	MS1_mz	MS2_mz
1-Methylhistidine	6.35	170	124
1-Methylnicotinamide	4.34	137	94
1-Methylxanthine	2.9	167	110
1-Methylxanthosine	2.79	299	167.1
1,3-15N2-Uric acid	5.17	171.1	143
13C10,15N5-Adenosine	3.88	283	146.1
13C3-Thiamine	5.12	268	122.1
13C5-Hypoxanthine	3.74	142.2	124
13C5-Xanthosine	4.56	290	153
15N4-Inosine	4.35	273.1	141
2-Aminobenzoic acid	1.05	138.1	92
3-Hydroxy-N6,N6,N6-Trimethyllysine	6.77	205.2	128.1
3-Hydroxybutyric acid	1.3	105	87
3-Hydroxykynurenine	0.95	225.1	179.1
3-Hydroxytyrosol	3.74	137.1	119
3-Methoxytyrosine	5.32	212.1	166.1
3-Methylxanthine	3.1	167	69
3-Methylxanthosine	2.98	299.1	167.1
4-Hydroxyproline	5.9	132	68.1
4-Trimethylammoniobutanal	6.86	130.1	71.1
5-Glutamylalanine	7	219.1	90.1
5-Hydroxyindoleacetic acid	1.6	192.1	146.1
5-Hydroxytryptophan	4.9	221.1	175
5'-Methylthioadenosine	2.83	298	136
6-Aminouracil	4.3	128	85
6C13-Phenylalanine	4.92	172.1	126.1
6C13-Tyrosine	5.42	188.1	142.1
7-alpha-Hydroxy-3-oxo-4-cholestenoate	1.52	431.3	395.3
7-Methylguanine	4.32	166.1	124.1
7-Methylguanosine	5.48	298	166
7-Methylxanthine	3.3	167.1	69
7-Methylxanthosine	3.2	299.2	167.1
8-Hydroxy-deoxyguanosine	5.18	284.1	140
8-Oxo-deoxyguanosine-13C,15N2	4.8	300	168
8-Hydroxyguanosine	4.76	287.3	171
9-Hexadecenoylcarnitine	3.12	398.3	85
Acetylcarnitine	4.2	204.1	85
Acetylcarnitine-d3	4.24	207.1	85
Adenine	4.05	136.1	119
Adenosine	3.87	268.2	136.1
Adenosine diphosphate ribose	7.33	560.1	136.1
Adenosylcobalamin	6	801.5	676.3
AICA-riboside	4.43	259	110
Alanine	5.87	90.1	44.2
Alanine-d4	5.82	94.1	48.1
alpha-Tocopherol	1	431.4	165.1
Arabitol	4.7	153.1	153.1
Arginine	6.86	175.1	70
Arginine-d4C13	6.85	180.1	75
Ascorbate	3.8	177	95
Asparagine	6.21	133.1	74
Aspartic acid	6.33	134	74
Aspartic acid-d3	6.46	137	75
Asymmetric dimethylarginine	6.44	203.2	70.3
Betaine	5.17	118.1	59.1
Betaine-d11	4.94	129.1	68.1
Bilirubin	1.01	585.3	299.1
Butyrobetaine	4.3	146.1	87
Butyrylcarnitine	3.68	232.2	85
Butyrylcarnitine-d3	3.83	235.2	85
Cadaverine	7.21	102.9	86.1
cADPRibose	7.14	542.1	136.1
Caffeine	1.26	195.1	138
Capsaicin	1.05	306.2	137.1
Carnitine	4.99	162.1	103.1
Carnitine-d9	4.99	171.2	85
Choline	3.97	104	60
Citrulline	6.36	176.1	113.1
Citrulline-d2	6.24	178.1	115.1
Cotinine	1.77	177.1	80
Creatine	5.76	132	90
Creatinine	4.27	114	44.1
Creatinine-d3	4.24	117	86
Curcumin	1.01	369	177
Cyanocobalamin	6.09	678.5	997.5
Cystathionine	7	223.1	134
Cysteine	5.65	122	76
Cysteinylglycine	6.86	179.1	162.2
Cystine	7.25	241	74
Cytosine	4.94	112.1	94.9
Decanoylcarnitine	3.33	316.2	85
Demethoxycurcumin	1.31	339.1	255.2
Deoxyadenosine	3.67	252.1	136
Deoxyguanosine	4.67	268.1	152
Deoxyinosine	3.6	253	137
Dimethylethanolamine	4.25	90	72
Dimethylglycine	5.41	104	58
DNL201	1.08	340.3	313.2
Dodecanoylcarnitine	3.85	343.3	85
Dopa	5.62	198	152
Dopamine	4.54	154	137
Dopamine 3-o-sulfate	3.7	234	137.1
Dopamine 4-o-sulfate	3.9	234.1	137.2
Epinephrine	4.73	166	107
Ergothioneine	5.71	230.1	127
Ethanolamine	5.23	62	44.2
Formylanthranilic acid	1.3	166	120
gamma-Aminobutyric acid	5.08	104.1	87
Gamma-Glutamylcysteine	6.46	251.1	122
Glucosamine	6.45	180	162
Glucose	5.31	202.8	202.8
Glutamic acid-d3	5.97	151	133.1
Glutamic acid	6.07	148.1	84
Glutamine	6.22	147.1	84
Glutathione	6.11	308.1	179.1
Glutathione disulfide	7.48	613.2	355.1
Glutathione-(glycine-13C2,15N)	6.1	311.3	182.1
Glycerophosphocholine	6.24	258.1	104
Glycine	5.92	76	30
Guanine	4.72	152.2	110
Guanosine	5.09	284.1	152
Hexanoylcarnitine	3.46	260.2	85
Histamine	6.5	112.1	95
Histidine	6.93	156.1	110.1
Homocysteine	5.05	136.1	90.1
Homoserine	5.88	120.2	56.2
Hydroxybutyrylcarnitine	4.65	248.2	85
Hydroxyhexanoylcarnitine	4.71	276.2	85
Hydroxyisovaleroyl carnitine	4.3	262.2	85
Hydroxypropionylcarnitine	4.9	234.1	85
Hypoxanthine	3.75	137.2	118.8
Imidazoleacetic acid	5.18	127	81
Indole	1	118	91
Inosine	4.33	269.1	137
Isovalerylcarnitine	3.56	246.2	85
Isovalerylcarnitine-d9	3.55	255.2	85
Kynurenic acid	4.27	190.1	116
Kynurenine	4.81	209	146
Leucine	4.94	132.1	86
Leucine-d3	4.74	135.1	89.1
Linoleyl carnitine	3.05	424.3	85
LPC(18:1(d7))	3.85	529.3	184.1
Lysine	6.93	147.1	84
Mannitol	5.44	183	69
Mannose	5.5	202.8	202.8
Melatonin	3.67	233.1	174.1
Methionine	5.04	150.1	104.1
Methionine S-oxide	6.05	166.1	74
Methionine-d3	5.23	153.1	107
Methylcobalamin	6.04	673	971.5
Myristoylcarnitine	2.9	372	85
Myristoylcarnitine-d9	3.15	381.4	85
N-Acetylalanine	1.8	160.1	72.1
N-Acetylaspartic acid	3.42	176.1	176.1
N-Acetylcysteine	1.3	163	121.2
N-Acetylglutamic acid	3.49	189	130
N-Acetylneuraminic acid	6.69	310.1	274
N-Acetylputrescine	4.89	131.1	114
N-Acetylserine	3.38	148	106
N-Alpha-acetyllysine	5.69	189	84
N,N'-Bis(gamma-glutamyl)cystine	7	499.1	453.1
N1-Acetylspermidine	6.4	188.2	171
N1-Acetylspermidine-d6	6.5	194.3	106.2
N1-Acetylspermine	7.7	245.2	100.1
N1-N12-Diacetylspermine	6.1	287.2	100.1
N1-N8-Diacetylspermidine	4.93	230.5	100.2
N1-N8-Diacetylspermidine-d6	4.93	236.2	103.2
N15C13-Glycine	5.92	78	32
N6,N6,N6-Trimethyllysine	6.62	189.2	84.1
NAD	7.13	664.1	428.2
Niacinamide	1.86	123.1	80
Niacinamide-d4	1.88	127	84
Nicotinamide mononucleotide	6.6	335.2	123.1
Nicotinamide riboside	5.48	255	123
Nicotinic acid	1.87	124.1	78
Nitrotyrosine	4.78	227.1	210
Nonanoylcarnitine	3.3	302.2	85
Norepinephrine	5.1	152	107
Octanoylcarnitine	3.31	288.2	85
Octanoylcarnitine-d3	3.44	291.2	85
Ornithine	6.98	133	70
Ornithine-d2	6.98	135.1	117.2
Palmitoylcarnitine	3	400	85
Palmitoylcarnitine-d3	3.08	403.4	85
Paraxanthine	1.85	181.1	124
Phenylalanine	4.91	166.1	120.1
Piperanine	1.34	288.2	135.2
Piperine	1.04	286.1	201.1
Pipernonaline	1.3	342.1	229.2
Piperyline	1.39	272.2	201.1
Proline	5.27	116	70.1
Propionylcarnitine	3.84	218.1	85
Propionylcartinine-d3	4	221.2	85
Putrescine	6.3	89	72
Pyridoxamine	6.06	169	152
Pyroglutamic acid	3.29	130	84
S-Adenosylhomocysteine	6.23	385.1	136
S-Adenosylmethionine	7.13	399	250
Sarcosine	5.75	90	44.1
Serine	6.14	106	60
Serotonin	4.42	177	160
Spermidine	7.8	146.2	72
Spermine	4.95	203.1	129.1
Stearoylcarnitine	3.02	428.4	85
Sucrose	6	364.8	202.8
Taurine	5.37	126	80.1
Tetrahydrocurcumin	1.38	355	137.1
Theobromine	2.1	181	138.3
Theophylline	1.7	181.1	124
Thiamine	5.11	265	122
Threonine	5.87	120	74
Trigonelline	5.3	138.1	94.1
Trimethylamine-d9 N-oxide	4.17	85	66
Trimethylamine-N-oxide	4.03	76.1	58.1
Tryptophan	4.75	205	146.1
Tyrosine	5.26	182.1	136
Uracil	2.47	113	70
Ureidopropionic acid	3.24	133	115
Uric acid	5.28	169.1	141
Uridine	3.91	245	113
Valerobetaine	4.09	160	101.1
Valerobetaine-d9	4.09	169.1	101.1
Valine	5.18	118.1	55
Valine-d8	5.32	126	80.1
Xanthine	4.05	153	110
Xanthosine	4.71	285	153
METABOLITES_END
#END