#METABOLOMICS WORKBENCH Jung_DNLI_20250707_104749 DATATRACK_ID:6141 STUDY_ID:ST004059 ANALYSIS_ID:AN006713 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 06507973837
#STUDY
ST:STUDY_TITLE                   	Targeted Lipid and Metabolite Profiling in Brains of ATP13A2 Knockout Mice
ST:STUDY_SUMMARY                 	Comprehensive targeted profiling of lipids and metabolites was conducted in
ST:STUDY_SUMMARY                 	brain tissues from ATP13A2 knockout mice at 4.5 and 15 months of age to assess
ST:STUDY_SUMMARY                 	ATP13A2 deletion and its association with lysosomal dysfunction.
ST:INSTITUTE                     	Denali Therapeutics
ST:LAST_NAME                     	Suh
ST:FIRST_NAME                    	Jung
ST:ADDRESS                       	161 Oyster Point Blvd, South San Francisco, California, 94080, USA
ST:EMAIL                         	suh@dnli.com
ST:PHONE                         	+1 06507973837
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
#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_Cortex_001	HSA-000038800	genotype:WT | Sample source:brain	sex=NA; age=15; age_unit=month; region=Cortex; RAW_FILE_NAME(Raw Source Name.PITC)=20240607_MS_HEX-000817_PITC_Pos-20240607_MS_HEX-000817_Cortex_PITC_Pos_001.mzML; RAW_FILE_NAME(Raw Source Name.LP)=20240521_MS_HEX-000817_Lipid_Pos_001.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20240524_MS_HEX-000817_Lipid_Neg_001.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20240523_MS_HEX-000817_Met_Pos_001.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20240524_MS_HEX-000817_Met_Neg_001.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20240522_MS_HEX-000817_HALO_Pos_001.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20240528_MS_HEX-000817_GM_Neg_001.mzML
SUBJECT_SAMPLE_FACTORS           	Cortex_13	HSA-000038799	genotype:HOM KO ATP13A2 | Sample source:brain	sex=Male; age=15; age_unit=month; region=Cortex; RAW_FILE_NAME(Raw Source Name.PITC)=20240607_MS_HEX-000817_PITC_Pos-20240607_MS_HEX-000817_Cortex_PITC_Pos_002.mzML; RAW_FILE_NAME(Raw Source Name.LP)=20240521_MS_HEX-000817_Lipid_Pos_002.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20240524_MS_HEX-000817_Lipid_Neg_002.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20240523_MS_HEX-000817_Met_Pos_002.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20240524_MS_HEX-000817_Met_Neg_002.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20240522_MS_HEX-000817_HALO_Pos_002.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20240528_MS_HEX-000817_GM_Neg_002.mzML
SUBJECT_SAMPLE_FACTORS           	Cortex_08	HSA-000038794	genotype:HOM KO ATP13A2 | Sample source:brain	sex=Female; age=15; age_unit=month; region=Cortex; RAW_FILE_NAME(Raw Source Name.PITC)=20240607_MS_HEX-000817_PITC_Pos-20240607_MS_HEX-000817_Cortex_PITC_Pos_003.mzML; RAW_FILE_NAME(Raw Source Name.LP)=20240521_MS_HEX-000817_Lipid_Pos_003.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20240524_MS_HEX-000817_Lipid_Neg_003.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20240523_MS_HEX-000817_Met_Pos_003.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20240524_MS_HEX-000817_Met_Neg_003.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20240522_MS_HEX-000817_HALO_Pos_003.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20240528_MS_HEX-000817_GM_Neg_003.mzML
SUBJECT_SAMPLE_FACTORS           	Cortex_02	HSA-000038788	genotype:WT | Sample source:brain	sex=Male; age=15; age_unit=month; region=Cortex; RAW_FILE_NAME(Raw Source Name.PITC)=20240607_MS_HEX-000817_PITC_Pos-20240607_MS_HEX-000817_Cortex_PITC_Pos_004.mzML; RAW_FILE_NAME(Raw Source Name.LP)=20240521_MS_HEX-000817_Lipid_Pos_004.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20240524_MS_HEX-000817_Lipid_Neg_004.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20240523_MS_HEX-000817_Met_Pos_004.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20240524_MS_HEX-000817_Met_Neg_004.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20240522_MS_HEX-000817_HALO_Pos_004.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20240528_MS_HEX-000817_GM_Neg_004.mzML
SUBJECT_SAMPLE_FACTORS           	Cortex_11	HSA-000038797	genotype:HOM KO ATP13A2 | Sample source:brain	sex=Male; age=15; age_unit=month; region=Cortex; RAW_FILE_NAME(Raw Source Name.PITC)=20240607_MS_HEX-000817_PITC_Pos-20240607_MS_HEX-000817_Cortex_PITC_Pos_005.mzML; RAW_FILE_NAME(Raw Source Name.LP)=20240521_MS_HEX-000817_Lipid_Pos_005.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20240524_MS_HEX-000817_Lipid_Neg_005.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20240523_MS_HEX-000817_Met_Pos_005.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20240524_MS_HEX-000817_Met_Neg_005.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20240522_MS_HEX-000817_HALO_Pos_005.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20240528_MS_HEX-000817_GM_Neg_005.mzML
SUBJECT_SAMPLE_FACTORS           	Cortex_04	HSA-000038790	genotype:HOM KO ATP13A2 | Sample source:brain	sex=Male; age=15; age_unit=month; region=Cortex; RAW_FILE_NAME(Raw Source Name.PITC)=20240607_MS_HEX-000817_PITC_Pos-20240607_MS_HEX-000817_Cortex_PITC_Pos_006.mzML; RAW_FILE_NAME(Raw Source Name.LP)=20240521_MS_HEX-000817_Lipid_Pos_006.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20240524_MS_HEX-000817_Lipid_Neg_006.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20240523_MS_HEX-000817_Met_Pos_006.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20240524_MS_HEX-000817_Met_Neg_006.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20240522_MS_HEX-000817_HALO_Pos_006.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20240528_MS_HEX-000817_GM_Neg_006.mzML
SUBJECT_SAMPLE_FACTORS           	Cortex_12	HSA-000038798	genotype:WT | Sample source:brain	sex=Female; age=15; age_unit=month; region=Cortex; RAW_FILE_NAME(Raw Source Name.PITC)=20240607_MS_HEX-000817_PITC_Pos-20240607_MS_HEX-000817_Cortex_PITC_Pos_007.mzML; RAW_FILE_NAME(Raw Source Name.LP)=20240521_MS_HEX-000817_Lipid_Pos_007.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20240524_MS_HEX-000817_Lipid_Neg_007.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20240523_MS_HEX-000817_Met_Pos_007.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20240524_MS_HEX-000817_Met_Neg_007.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20240522_MS_HEX-000817_HALO_Pos_007.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20240528_MS_HEX-000817_GM_Neg_007.mzML
SUBJECT_SAMPLE_FACTORS           	Cortex_09	HSA-000038795	genotype:NA | Sample source:brain	sex=Male; age=15; age_unit=month; region=Cortex; RAW_FILE_NAME(Raw Source Name.PITC)=20240607_MS_HEX-000817_PITC_Pos-20240607_MS_HEX-000817_Cortex_PITC_Pos_008.mzML; RAW_FILE_NAME(Raw Source Name.LP)=20240521_MS_HEX-000817_Lipid_Pos_008.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20240524_MS_HEX-000817_Lipid_Neg_008.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20240523_MS_HEX-000817_Met_Pos_008.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20240524_MS_HEX-000817_Met_Neg_008.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20240522_MS_HEX-000817_HALO_Pos_008.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20240528_MS_HEX-000817_GM_Neg_008.mzML
SUBJECT_SAMPLE_FACTORS           	Pool_Cortex_002	HSA-000039091	genotype:HOM KO ATP13A2 | Sample source:brain	sex=NA; age=15; age_unit=month; region=Cortex; RAW_FILE_NAME(Raw Source Name.PITC)=20240607_MS_HEX-000817_PITC_Pos-20240607_MS_HEX-000817_Cortex_PITC_Pos_009.mzML; RAW_FILE_NAME(Raw Source Name.LP)=20240521_MS_HEX-000817_Lipid_Pos_009.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20240524_MS_HEX-000817_Lipid_Neg_009.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20240523_MS_HEX-000817_Met_Pos_009.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20240524_MS_HEX-000817_Met_Neg_009.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20240522_MS_HEX-000817_HALO_Pos_009.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20240528_MS_HEX-000817_GM_Neg_009.mzML
SUBJECT_SAMPLE_FACTORS           	Cortex_10	HSA-000038796	genotype:WT | Sample source:brain	sex=Female; age=15; age_unit=month; region=Cortex; RAW_FILE_NAME(Raw Source Name.PITC)=20240607_MS_HEX-000817_PITC_Pos-20240607_MS_HEX-000817_Cortex_PITC_Pos_010.mzML; RAW_FILE_NAME(Raw Source Name.LP)=20240521_MS_HEX-000817_Lipid_Pos_010.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20240524_MS_HEX-000817_Lipid_Neg_010.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20240523_MS_HEX-000817_Met_Pos_010.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20240524_MS_HEX-000817_Met_Neg_010.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20240522_MS_HEX-000817_HALO_Pos_010.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20240528_MS_HEX-000817_GM_Neg_010.mzML
SUBJECT_SAMPLE_FACTORS           	Cortex_05	HSA-000038791	genotype:WT | Sample source:brain	sex=Female; age=15; age_unit=month; region=Cortex; RAW_FILE_NAME(Raw Source Name.PITC)=20240607_MS_HEX-000817_PITC_Pos-20240607_MS_HEX-000817_Cortex_PITC_Pos_011.mzML; RAW_FILE_NAME(Raw Source Name.LP)=20240521_MS_HEX-000817_Lipid_Pos_011.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20240524_MS_HEX-000817_Lipid_Neg_011.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20240523_MS_HEX-000817_Met_Pos_011.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20240524_MS_HEX-000817_Met_Neg_011.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20240522_MS_HEX-000817_HALO_Pos_011.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20240528_MS_HEX-000817_GM_Neg_011.mzML
SUBJECT_SAMPLE_FACTORS           	Cortex_01	HSA-000038787	genotype:HOM KO ATP13A2 | Sample source:brain	sex=Female; age=15; age_unit=month; region=Cortex; RAW_FILE_NAME(Raw Source Name.PITC)=20240607_MS_HEX-000817_PITC_Pos-20240607_MS_HEX-000817_Cortex_PITC_Pos_012.mzML; RAW_FILE_NAME(Raw Source Name.LP)=20240521_MS_HEX-000817_Lipid_Pos_012.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20240524_MS_HEX-000817_Lipid_Neg_012.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20240523_MS_HEX-000817_Met_Pos_012.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20240524_MS_HEX-000817_Met_Neg_012.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20240522_MS_HEX-000817_HALO_Pos_012.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20240528_MS_HEX-000817_GM_Neg_012.mzML
SUBJECT_SAMPLE_FACTORS           	Cortex_06	HSA-000038792	genotype:WT | Sample source:brain	sex=Male; age=15; age_unit=month; region=Cortex; RAW_FILE_NAME(Raw Source Name.PITC)=20240607_MS_HEX-000817_PITC_Pos-20240607_MS_HEX-000817_Cortex_PITC_Pos_013.mzML; RAW_FILE_NAME(Raw Source Name.LP)=20240521_MS_HEX-000817_Lipid_Pos_013.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20240524_MS_HEX-000817_Lipid_Neg_013.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20240523_MS_HEX-000817_Met_Pos_013.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20240524_MS_HEX-000817_Met_Neg_013.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20240522_MS_HEX-000817_HALO_Pos_013.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20240528_MS_HEX-000817_GM_Neg_013.mzML
SUBJECT_SAMPLE_FACTORS           	Cortex_07	HSA-000038793	genotype:WT | Sample source:brain	sex=Male; age=15; age_unit=month; region=Cortex; RAW_FILE_NAME(Raw Source Name.PITC)=20240607_MS_HEX-000817_PITC_Pos-20240607_MS_HEX-000817_Cortex_PITC_Pos_014.mzML; RAW_FILE_NAME(Raw Source Name.LP)=20240521_MS_HEX-000817_Lipid_Pos_014.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20240524_MS_HEX-000817_Lipid_Neg_014.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20240523_MS_HEX-000817_Met_Pos_014.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20240524_MS_HEX-000817_Met_Neg_014.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20240522_MS_HEX-000817_HALO_Pos_014.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20240528_MS_HEX-000817_GM_Neg_014.mzML
SUBJECT_SAMPLE_FACTORS           	Cortex_03	HSA-000038789	genotype:NA | Sample source:brain	sex=Female; age=15; age_unit=month; region=Cortex; RAW_FILE_NAME(Raw Source Name.PITC)=20240607_MS_HEX-000817_PITC_Pos-20240607_MS_HEX-000817_Cortex_PITC_Pos_015.mzML; RAW_FILE_NAME(Raw Source Name.LP)=20240521_MS_HEX-000817_Lipid_Pos_015.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20240524_MS_HEX-000817_Lipid_Neg_015.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20240523_MS_HEX-000817_Met_Pos_015.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20240524_MS_HEX-000817_Met_Neg_015.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20240522_MS_HEX-000817_HALO_Pos_015.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20240528_MS_HEX-000817_GM_Neg_015.mzML
SUBJECT_SAMPLE_FACTORS           	Pool_Cortex_003	HSA-000039092	genotype:NA | Sample source:brain	sex=NA; age=15; age_unit=month; region=Cortex; RAW_FILE_NAME(Raw Source Name.PITC)=20240607_MS_HEX-000817_PITC_Pos-20240607_MS_HEX-000817_Cortex_PITC_Pos_016.mzML; RAW_FILE_NAME(Raw Source Name.LP)=20240521_MS_HEX-000817_Lipid_Pos_016.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20240524_MS_HEX-000817_Lipid_Neg_016.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20240523_MS_HEX-000817_Met_Pos_016.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20240524_MS_HEX-000817_Met_Neg_016.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20240522_MS_HEX-000817_HALO_Pos_016.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20240528_MS_HEX-000817_GM_Neg_016.mzML
SUBJECT_SAMPLE_FACTORS           	Pool_Hippo_001	HSA-000038814	genotype:WT | Sample source:brain	sex=NA; age=15; age_unit=month; region=Hippocampus; RAW_FILE_NAME(Raw Source Name.PITC)=20240607_MS_HEX-000817_PITC_Pos-20240607_MS_HEX-000817_HippC_PITC_Pos_002; RAW_FILE_NAME(Raw Source Name.LP)=20240521_MS_HEX-000817_Lipid_Pos_017.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20240524_MS_HEX-000817_Lipid_Neg_017.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20240523_MS_HEX-000817_Met_Pos_017.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20240524_MS_HEX-000817_Met_Neg_017.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20240522_MS_HEX-000817_HALO_Pos_017.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20240528_MS_HEX-000817_GM_Neg_017.mzML
SUBJECT_SAMPLE_FACTORS           	Hipp_13	HSA-000038813	genotype:WT | Sample source:brain	sex=Male; age=15; age_unit=month; region=Hippocampus; RAW_FILE_NAME(Raw Source Name.PITC)=20240607_MS_HEX-000817_PITC_Pos-20240607_MS_HEX-000817_HippC_PITC_Pos_003; RAW_FILE_NAME(Raw Source Name.LP)=20240521_MS_HEX-000817_Lipid_Pos_018.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20240524_MS_HEX-000817_Lipid_Neg_018.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20240523_MS_HEX-000817_Met_Pos_018.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20240524_MS_HEX-000817_Met_Neg_018.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20240522_MS_HEX-000817_HALO_Pos_018.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20240528_MS_HEX-000817_GM_Neg_018.mzML
SUBJECT_SAMPLE_FACTORS           	Hipp_11	HSA-000038811	genotype:HOM KO ATP13A2 | Sample source:brain	sex=Male; age=15; age_unit=month; region=Hippocampus; RAW_FILE_NAME(Raw Source Name.PITC)=20240607_MS_HEX-000817_PITC_Pos-20240607_MS_HEX-000817_HippC_PITC_Pos_004; RAW_FILE_NAME(Raw Source Name.LP)=20240521_MS_HEX-000817_Lipid_Pos_019.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20240524_MS_HEX-000817_Lipid_Neg_019.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20240523_MS_HEX-000817_Met_Pos_019.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20240524_MS_HEX-000817_Met_Neg_019.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20240522_MS_HEX-000817_HALO_Pos_019.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20240528_MS_HEX-000817_GM_Neg_019.mzML
SUBJECT_SAMPLE_FACTORS           	Hipp_04	HSA-000038804	genotype:WT | Sample source:brain	sex=Male; age=15; age_unit=month; region=Hippocampus; RAW_FILE_NAME(Raw Source Name.PITC)=20240607_MS_HEX-000817_PITC_Pos-20240607_MS_HEX-000817_HippC_PITC_Pos_005; RAW_FILE_NAME(Raw Source Name.LP)=20240521_MS_HEX-000817_Lipid_Pos_020.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20240524_MS_HEX-000817_Lipid_Neg_020.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20240523_MS_HEX-000817_Met_Pos_020.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20240524_MS_HEX-000817_Met_Neg_020.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20240522_MS_HEX-000817_HALO_Pos_020.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20240528_MS_HEX-000817_GM_Neg_020.mzML
SUBJECT_SAMPLE_FACTORS           	Hipp_05	HSA-000038805	genotype:WT | Sample source:brain	sex=Female; age=15; age_unit=month; region=Hippocampus; RAW_FILE_NAME(Raw Source Name.PITC)=20240607_MS_HEX-000817_PITC_Pos-20240607_MS_HEX-000817_HippC_PITC_Pos_006; RAW_FILE_NAME(Raw Source Name.LP)=20240521_MS_HEX-000817_Lipid_Pos_021.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20240524_MS_HEX-000817_Lipid_Neg_021.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20240523_MS_HEX-000817_Met_Pos_021.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20240524_MS_HEX-000817_Met_Neg_021.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20240522_MS_HEX-000817_HALO_Pos_021.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20240528_MS_HEX-000817_GM_Neg_021.mzML
SUBJECT_SAMPLE_FACTORS           	Hipp_03	HSA-000038803	genotype:HOM KO ATP13A2 | Sample source:brain	sex=Female; age=15; age_unit=month; region=Hippocampus; RAW_FILE_NAME(Raw Source Name.PITC)=20240607_MS_HEX-000817_PITC_Pos-20240607_MS_HEX-000817_HippC_PITC_Pos_007; RAW_FILE_NAME(Raw Source Name.LP)=20240521_MS_HEX-000817_Lipid_Pos_022.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20240524_MS_HEX-000817_Lipid_Neg_022.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20240523_MS_HEX-000817_Met_Pos_022.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20240524_MS_HEX-000817_Met_Neg_022.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20240522_MS_HEX-000817_HALO_Pos_022.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20240528_MS_HEX-000817_GM_Neg_022.mzML
SUBJECT_SAMPLE_FACTORS           	Hipp_02	HSA-000038802	genotype:WT | Sample source:brain	sex=Male; age=15; age_unit=month; region=Hippocampus; RAW_FILE_NAME(Raw Source Name.PITC)=20240607_MS_HEX-000817_PITC_Pos-20240607_MS_HEX-000817_HippC_PITC_Pos_008; RAW_FILE_NAME(Raw Source Name.LP)=20240521_MS_HEX-000817_Lipid_Pos_023.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20240524_MS_HEX-000817_Lipid_Neg_023.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20240523_MS_HEX-000817_Met_Pos_023.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20240524_MS_HEX-000817_Met_Neg_023.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20240522_MS_HEX-000817_HALO_Pos_023.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20240528_MS_HEX-000817_GM_Neg_023.mzML
SUBJECT_SAMPLE_FACTORS           	Hipp_07	HSA-000038807	genotype:NA | Sample source:brain	sex=Male; age=15; age_unit=month; region=Hippocampus; RAW_FILE_NAME(Raw Source Name.PITC)=20240607_MS_HEX-000817_PITC_Pos-20240607_MS_HEX-000817_HippC_PITC_Pos_009; RAW_FILE_NAME(Raw Source Name.LP)=20240521_MS_HEX-000817_Lipid_Pos_024.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20240524_MS_HEX-000817_Lipid_Neg_024.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20240523_MS_HEX-000817_Met_Pos_024.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20240524_MS_HEX-000817_Met_Neg_024.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20240522_MS_HEX-000817_HALO_Pos_024.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20240528_MS_HEX-000817_GM_Neg_024.mzML
SUBJECT_SAMPLE_FACTORS           	Pool_Hippo_002	HSA-000039093	genotype:WT | Sample source:brain	sex=NA; age=15; age_unit=month; region=Hippocampus; RAW_FILE_NAME(Raw Source Name.PITC)=20240607_MS_HEX-000817_PITC_Pos-20240607_MS_HEX-000817_HippC_PITC_Pos_010; RAW_FILE_NAME(Raw Source Name.LP)=20240521_MS_HEX-000817_Lipid_Pos_025.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20240524_MS_HEX-000817_Lipid_Neg_025.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20240523_MS_HEX-000817_Met_Pos_025.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20240524_MS_HEX-000817_Met_Neg_025.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20240522_MS_HEX-000817_HALO_Pos_025.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20240528_MS_HEX-000817_GM_Neg_025.mzML
SUBJECT_SAMPLE_FACTORS           	Hipp_09	HSA-000038809	genotype:HOM KO ATP13A2 | Sample source:brain	sex=Male; age=15; age_unit=month; region=Hippocampus; RAW_FILE_NAME(Raw Source Name.PITC)=20240607_MS_HEX-000817_PITC_Pos-20240607_MS_HEX-000817_HippC_PITC_Pos_011; RAW_FILE_NAME(Raw Source Name.LP)=20240521_MS_HEX-000817_Lipid_Pos_026.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20240524_MS_HEX-000817_Lipid_Neg_026.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20240523_MS_HEX-000817_Met_Pos_026.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20240524_MS_HEX-000817_Met_Neg_026.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20240522_MS_HEX-000817_HALO_Pos_026.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20240528_MS_HEX-000817_GM_Neg_026.mzML
SUBJECT_SAMPLE_FACTORS           	Hipp_12	HSA-000038812	genotype:HOM KO ATP13A2 | Sample source:brain	sex=Female; age=15; age_unit=month; region=Hippocampus; RAW_FILE_NAME(Raw Source Name.PITC)=20240607_MS_HEX-000817_PITC_Pos-20240607_MS_HEX-000817_HippC_PITC_Pos_012; RAW_FILE_NAME(Raw Source Name.LP)=20240521_MS_HEX-000817_Lipid_Pos_027.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20240524_MS_HEX-000817_Lipid_Neg_027.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20240523_MS_HEX-000817_Met_Pos_027.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20240524_MS_HEX-000817_Met_Neg_027.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20240522_MS_HEX-000817_HALO_Pos_027.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20240528_MS_HEX-000817_GM_Neg_027.mzML
SUBJECT_SAMPLE_FACTORS           	Hipp_06	HSA-000038806	genotype:WT | Sample source:brain	sex=Male; age=15; age_unit=month; region=Hippocampus; RAW_FILE_NAME(Raw Source Name.PITC)=20240607_MS_HEX-000817_PITC_Pos-20240607_MS_HEX-000817_HippC_PITC_Pos_013; RAW_FILE_NAME(Raw Source Name.LP)=20240521_MS_HEX-000817_Lipid_Pos_028.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20240524_MS_HEX-000817_Lipid_Neg_028.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20240523_MS_HEX-000817_Met_Pos_028.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20240524_MS_HEX-000817_Met_Neg_028.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20240522_MS_HEX-000817_HALO_Pos_028.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20240528_MS_HEX-000817_GM_Neg_028.mzML
SUBJECT_SAMPLE_FACTORS           	Hipp_01	HSA-000038801	genotype:HOM KO ATP13A2 | Sample source:brain	sex=Female; age=15; age_unit=month; region=Hippocampus; RAW_FILE_NAME(Raw Source Name.PITC)=20240607_MS_HEX-000817_PITC_Pos-20240607_MS_HEX-000817_HippC_PITC_Pos_014; RAW_FILE_NAME(Raw Source Name.LP)=20240521_MS_HEX-000817_Lipid_Pos_029.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20240524_MS_HEX-000817_Lipid_Neg_029.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20240523_MS_HEX-000817_Met_Pos_029.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20240524_MS_HEX-000817_Met_Neg_029.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20240522_MS_HEX-000817_HALO_Pos_029.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20240528_MS_HEX-000817_GM_Neg_029.mzML
SUBJECT_SAMPLE_FACTORS           	Hipp_10	HSA-000038810	genotype:HOM KO ATP13A2 | Sample source:brain	sex=Female; age=15; age_unit=month; region=Hippocampus; RAW_FILE_NAME(Raw Source Name.PITC)=20240607_MS_HEX-000817_PITC_Pos-20240607_MS_HEX-000817_HippC_PITC_Pos_015; RAW_FILE_NAME(Raw Source Name.LP)=20240521_MS_HEX-000817_Lipid_Pos_030.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20240524_MS_HEX-000817_Lipid_Neg_030.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20240523_MS_HEX-000817_Met_Pos_030.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20240524_MS_HEX-000817_Met_Neg_030.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20240522_MS_HEX-000817_HALO_Pos_030.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20240528_MS_HEX-000817_GM_Neg_030.mzML
SUBJECT_SAMPLE_FACTORS           	Hipp_08	HSA-000038808	genotype:NA | Sample source:brain	sex=Female; age=15; age_unit=month; region=Hippocampus; RAW_FILE_NAME(Raw Source Name.PITC)=20240607_MS_HEX-000817_PITC_Pos-20240607_MS_HEX-000817_HippC_PITC_Pos_016; RAW_FILE_NAME(Raw Source Name.LP)=20240521_MS_HEX-000817_Lipid_Pos_031.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20240524_MS_HEX-000817_Lipid_Neg_031.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20240523_MS_HEX-000817_Met_Pos_031.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20240524_MS_HEX-000817_Met_Neg_031.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20240522_MS_HEX-000817_HALO_Pos_031.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20240528_MS_HEX-000817_GM_Neg_031.mzML
SUBJECT_SAMPLE_FACTORS           	Pool_Hippo_003	HSA-000039094	genotype:NA | Sample source:brain	sex=NA; age=15; age_unit=month; region=Hippocampus; RAW_FILE_NAME(Raw Source Name.PITC)=20240607_MS_HEX-000817_PITC_Pos-20240607_MS_HEX-000817_HippC_PITC_Pos_017; RAW_FILE_NAME(Raw Source Name.LP)=20240521_MS_HEX-000817_Lipid_Pos_032.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20240524_MS_HEX-000817_Lipid_Neg_032.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20240523_MS_HEX-000817_Met_Pos_032.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20240524_MS_HEX-000817_Met_Neg_032.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20240522_MS_HEX-000817_HALO_Pos_032.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20240528_MS_HEX-000817_GM_Neg_032.mzML
SUBJECT_SAMPLE_FACTORS           	Cortex_pool-1	HSA-000034484	genotype:NA | Sample source:brain	sex=NA; age=4.5; age_unit=month; region=Cortex; RAW_FILE_NAME(Raw Source Name.PITC)=20231013_MS_HEX-000681_PITC_Pos-20231013_MS_HEX-000681_Cortex_PITC_Pos_001.mzML; RAW_FILE_NAME(Raw Source Name.LP)=20231006_MS_HEX-000681_Lipid_Pos-20231006_MS_HEX-000681_Cortex_Lipid_Pos_001.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20231008_MS_HEX-000681_Lipid_Neg-20231008_MS_HEX-000681_Cortex_Lipid_Neg_001.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20231007_MS_HEX-000681_Met_Pos-20231007_MS_HEX-000681_Cortex_Met_Pos_001.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20231008_MS_HEX-000681_Met_Neg-20231008_MS_HEX-000681_Cortex_Met_Neg_001.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20231007_MS_HEX-000681_HALO_Pos-20231007_MS_HEX-000681_Cortex_HALO_Pos_001.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20231010_MS_HEX-000681_GM_Neg-20231010_MS_HEX-000681_Cortex_GM_Neg_001.mzML
SUBJECT_SAMPLE_FACTORS           	Cortex_09	HSA-000034472	genotype:HET KO ATP13A2 | Sample source:brain	sex=Male; age=4.5; age_unit=month; region=Cortex; RAW_FILE_NAME(Raw Source Name.PITC)=20231013_MS_HEX-000681_PITC_Pos-20231013_MS_HEX-000681_Cortex_PITC_Pos_002.mzML; RAW_FILE_NAME(Raw Source Name.LP)=20231006_MS_HEX-000681_Lipid_Pos-20231006_MS_HEX-000681_Cortex_Lipid_Pos_002.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20231008_MS_HEX-000681_Lipid_Neg-20231008_MS_HEX-000681_Cortex_Lipid_Neg_002.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20231007_MS_HEX-000681_Met_Pos-20231007_MS_HEX-000681_Cortex_Met_Pos_002.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20231008_MS_HEX-000681_Met_Neg-20231008_MS_HEX-000681_Cortex_Met_Neg_002.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20231007_MS_HEX-000681_HALO_Pos-20231007_MS_HEX-000681_Cortex_HALO_Pos_002.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20231010_MS_HEX-000681_GM_Neg-20231010_MS_HEX-000681_Cortex_GM_Neg_002.mzML
SUBJECT_SAMPLE_FACTORS           	Cortex_07	HSA-000034470	genotype:WT | Sample source:brain	sex=Male; age=4.5; age_unit=month; region=Cortex; RAW_FILE_NAME(Raw Source Name.PITC)=20231013_MS_HEX-000681_PITC_Pos-20231013_MS_HEX-000681_Cortex_PITC_Pos_003.mzML; RAW_FILE_NAME(Raw Source Name.LP)=20231006_MS_HEX-000681_Lipid_Pos-20231006_MS_HEX-000681_Cortex_Lipid_Pos_003.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20231008_MS_HEX-000681_Lipid_Neg-20231008_MS_HEX-000681_Cortex_Lipid_Neg_003.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20231007_MS_HEX-000681_Met_Pos-20231007_MS_HEX-000681_Cortex_Met_Pos_003.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20231008_MS_HEX-000681_Met_Neg-20231008_MS_HEX-000681_Cortex_Met_Neg_003.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20231007_MS_HEX-000681_HALO_Pos-20231007_MS_HEX-000681_Cortex_HALO_Pos_003.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20231010_MS_HEX-000681_GM_Neg-20231010_MS_HEX-000681_Cortex_GM_Neg_003.mzML
SUBJECT_SAMPLE_FACTORS           	Cortex_16	HSA-000034479	genotype:WT | Sample source:brain	sex=Female; age=4.5; age_unit=month; region=Cortex; RAW_FILE_NAME(Raw Source Name.PITC)=20231013_MS_HEX-000681_PITC_Pos-20231013_MS_HEX-000681_Cortex_PITC_Pos_004.mzML; RAW_FILE_NAME(Raw Source Name.LP)=20231006_MS_HEX-000681_Lipid_Pos-20231006_MS_HEX-000681_Cortex_Lipid_Pos_004.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20231008_MS_HEX-000681_Lipid_Neg-20231008_MS_HEX-000681_Cortex_Lipid_Neg_004.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20231007_MS_HEX-000681_Met_Pos-20231007_MS_HEX-000681_Cortex_Met_Pos_004.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20231008_MS_HEX-000681_Met_Neg-20231008_MS_HEX-000681_Cortex_Met_Neg_004.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20231007_MS_HEX-000681_HALO_Pos-20231007_MS_HEX-000681_Cortex_HALO_Pos_004.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20231010_MS_HEX-000681_GM_Neg-20231010_MS_HEX-000681_Cortex_GM_Neg_004.mzML
SUBJECT_SAMPLE_FACTORS           	Cortex_04	HSA-000034467	genotype:WT | Sample source:brain	sex=Female; age=4.5; age_unit=month; region=Cortex; RAW_FILE_NAME(Raw Source Name.PITC)=20231013_MS_HEX-000681_PITC_Pos-20231013_MS_HEX-000681_Cortex_PITC_Pos_005.mzML; RAW_FILE_NAME(Raw Source Name.LP)=20231006_MS_HEX-000681_Lipid_Pos-20231006_MS_HEX-000681_Cortex_Lipid_Pos_005.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20231008_MS_HEX-000681_Lipid_Neg-20231008_MS_HEX-000681_Cortex_Lipid_Neg_005.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20231007_MS_HEX-000681_Met_Pos-20231007_MS_HEX-000681_Cortex_Met_Pos_005.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20231008_MS_HEX-000681_Met_Neg-20231008_MS_HEX-000681_Cortex_Met_Neg_005.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20231007_MS_HEX-000681_HALO_Pos-20231007_MS_HEX-000681_Cortex_HALO_Pos_005.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20231010_MS_HEX-000681_GM_Neg-20231010_MS_HEX-000681_Cortex_GM_Neg_005.mzML
SUBJECT_SAMPLE_FACTORS           	Cortex_20	HSA-000034483	genotype:HOM KO ATP13A2 | Sample source:brain	sex=Female; age=4.5; age_unit=month; region=Cortex; RAW_FILE_NAME(Raw Source Name.PITC)=20231013_MS_HEX-000681_PITC_Pos-20231013_MS_HEX-000681_Cortex_PITC_Pos_006.mzML; RAW_FILE_NAME(Raw Source Name.LP)=20231006_MS_HEX-000681_Lipid_Pos-20231006_MS_HEX-000681_Cortex_Lipid_Pos_006.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20231008_MS_HEX-000681_Lipid_Neg-20231008_MS_HEX-000681_Cortex_Lipid_Neg_006.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20231007_MS_HEX-000681_Met_Pos-20231007_MS_HEX-000681_Cortex_Met_Pos_006.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20231008_MS_HEX-000681_Met_Neg-20231008_MS_HEX-000681_Cortex_Met_Neg_006.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20231007_MS_HEX-000681_HALO_Pos-20231007_MS_HEX-000681_Cortex_HALO_Pos_006.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20231010_MS_HEX-000681_GM_Neg-20231010_MS_HEX-000681_Cortex_GM_Neg_006.mzML
SUBJECT_SAMPLE_FACTORS           	Cortex_18	HSA-000034481	genotype:HET KO ATP13A2 | Sample source:brain	sex=Female; age=4.5; age_unit=month; region=Cortex; RAW_FILE_NAME(Raw Source Name.PITC)=20231013_MS_HEX-000681_PITC_Pos-20231013_MS_HEX-000681_Cortex_PITC_Pos_007.mzML; RAW_FILE_NAME(Raw Source Name.LP)=20231006_MS_HEX-000681_Lipid_Pos-20231006_MS_HEX-000681_Cortex_Lipid_Pos_007.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20231008_MS_HEX-000681_Lipid_Neg-20231008_MS_HEX-000681_Cortex_Lipid_Neg_007.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20231007_MS_HEX-000681_Met_Pos-20231007_MS_HEX-000681_Cortex_Met_Pos_007.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20231008_MS_HEX-000681_Met_Neg-20231008_MS_HEX-000681_Cortex_Met_Neg_007.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20231007_MS_HEX-000681_HALO_Pos-20231007_MS_HEX-000681_Cortex_HALO_Pos_007.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20231010_MS_HEX-000681_GM_Neg-20231010_MS_HEX-000681_Cortex_GM_Neg_007.mzML
SUBJECT_SAMPLE_FACTORS           	Cortex_15	HSA-000034478	genotype:HET KO ATP13A2 | Sample source:brain	sex=Male; age=4.5; age_unit=month; region=Cortex; RAW_FILE_NAME(Raw Source Name.PITC)=20231013_MS_HEX-000681_PITC_Pos-20231013_MS_HEX-000681_Cortex_PITC_Pos_008.mzML; RAW_FILE_NAME(Raw Source Name.LP)=20231006_MS_HEX-000681_Lipid_Pos-20231006_MS_HEX-000681_Cortex_Lipid_Pos_008.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20231008_MS_HEX-000681_Lipid_Neg-20231008_MS_HEX-000681_Cortex_Lipid_Neg_008.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20231007_MS_HEX-000681_Met_Pos-20231007_MS_HEX-000681_Cortex_Met_Pos_008.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20231008_MS_HEX-000681_Met_Neg-20231008_MS_HEX-000681_Cortex_Met_Neg_008.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20231007_MS_HEX-000681_HALO_Pos-20231007_MS_HEX-000681_Cortex_HALO_Pos_008.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20231010_MS_HEX-000681_GM_Neg-20231010_MS_HEX-000681_Cortex_GM_Neg_008.mzML
SUBJECT_SAMPLE_FACTORS           	Cortex_08	HSA-000034471	genotype:HOM KO ATP13A2 | Sample source:brain	sex=Female; age=4.5; age_unit=month; region=Cortex; RAW_FILE_NAME(Raw Source Name.PITC)=20231013_MS_HEX-000681_PITC_Pos-20231013_MS_HEX-000681_Cortex_PITC_Pos_009.mzML; RAW_FILE_NAME(Raw Source Name.LP)=20231006_MS_HEX-000681_Lipid_Pos-20231006_MS_HEX-000681_Cortex_Lipid_Pos_009.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20231008_MS_HEX-000681_Lipid_Neg-20231008_MS_HEX-000681_Cortex_Lipid_Neg_009.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20231007_MS_HEX-000681_Met_Pos-20231007_MS_HEX-000681_Cortex_Met_Pos_009.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20231008_MS_HEX-000681_Met_Neg-20231008_MS_HEX-000681_Cortex_Met_Neg_009.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20231007_MS_HEX-000681_HALO_Pos-20231007_MS_HEX-000681_Cortex_HALO_Pos_009.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20231010_MS_HEX-000681_GM_Neg-20231010_MS_HEX-000681_Cortex_GM_Neg_009.mzML
SUBJECT_SAMPLE_FACTORS           	Cortex_03	HSA-000034466	genotype:HET KO ATP13A2 | Sample source:brain	sex=Male; age=4.5; age_unit=month; region=Cortex; RAW_FILE_NAME(Raw Source Name.PITC)=20231013_MS_HEX-000681_PITC_Pos-20231013_MS_HEX-000681_Cortex_PITC_Pos_010.mzML; RAW_FILE_NAME(Raw Source Name.LP)=20231006_MS_HEX-000681_Lipid_Pos-20231006_MS_HEX-000681_Cortex_Lipid_Pos_010.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20231008_MS_HEX-000681_Lipid_Neg-20231008_MS_HEX-000681_Cortex_Lipid_Neg_010.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20231007_MS_HEX-000681_Met_Pos-20231007_MS_HEX-000681_Cortex_Met_Pos_010.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20231008_MS_HEX-000681_Met_Neg-20231008_MS_HEX-000681_Cortex_Met_Neg_010.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20231007_MS_HEX-000681_HALO_Pos-20231007_MS_HEX-000681_Cortex_HALO_Pos_010.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20231010_MS_HEX-000681_GM_Neg-20231010_MS_HEX-000681_Cortex_GM_Neg_010.mzML
SUBJECT_SAMPLE_FACTORS           	Cortex_14	HSA-000034477	genotype:HOM KO ATP13A2 | Sample source:brain	sex=Female; age=4.5; age_unit=month; region=Cortex; RAW_FILE_NAME(Raw Source Name.PITC)=20231013_MS_HEX-000681_PITC_Pos-20231013_MS_HEX-000681_Cortex_PITC_Pos_011.mzML; RAW_FILE_NAME(Raw Source Name.LP)=20231006_MS_HEX-000681_Lipid_Pos-20231006_MS_HEX-000681_Cortex_Lipid_Pos_011.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20231008_MS_HEX-000681_Lipid_Neg-20231008_MS_HEX-000681_Cortex_Lipid_Neg_011.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20231007_MS_HEX-000681_Met_Pos-20231007_MS_HEX-000681_Cortex_Met_Pos_011.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20231008_MS_HEX-000681_Met_Neg-20231008_MS_HEX-000681_Cortex_Met_Neg_011.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20231007_MS_HEX-000681_HALO_Pos-20231007_MS_HEX-000681_Cortex_HALO_Pos_011.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20231010_MS_HEX-000681_GM_Neg-20231010_MS_HEX-000681_Cortex_GM_Neg_011.mzML
SUBJECT_SAMPLE_FACTORS           	Cortex_pool-2	HSA-000035023	genotype:NA | Sample source:brain	sex=NA; age=4.5; age_unit=month; region=Cortex; RAW_FILE_NAME(Raw Source Name.PITC)=20231013_MS_HEX-000681_PITC_Pos-20231013_MS_HEX-000681_Cortex_PITC_Pos_012.mzML; RAW_FILE_NAME(Raw Source Name.LP)=20231006_MS_HEX-000681_Lipid_Pos-20231006_MS_HEX-000681_Cortex_Lipid_Pos_012.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20231008_MS_HEX-000681_Lipid_Neg-20231008_MS_HEX-000681_Cortex_Lipid_Neg_012.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20231007_MS_HEX-000681_Met_Pos-20231007_MS_HEX-000681_Cortex_Met_Pos_012.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20231008_MS_HEX-000681_Met_Neg-20231008_MS_HEX-000681_Cortex_Met_Neg_012.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20231007_MS_HEX-000681_HALO_Pos-20231007_MS_HEX-000681_Cortex_HALO_Pos_012.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20231010_MS_HEX-000681_GM_Neg-20231010_MS_HEX-000681_Cortex_GM_Neg_012.mzML
SUBJECT_SAMPLE_FACTORS           	Cortex_17	HSA-000034480	genotype:HOM KO ATP13A2 | Sample source:brain	sex=Female; age=4.5; age_unit=month; region=Cortex; RAW_FILE_NAME(Raw Source Name.PITC)=20231013_MS_HEX-000681_PITC_Pos-20231013_MS_HEX-000681_Cortex_PITC_Pos_013.mzML; RAW_FILE_NAME(Raw Source Name.LP)=20231006_MS_HEX-000681_Lipid_Pos-20231006_MS_HEX-000681_Cortex_Lipid_Pos_013.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20231008_MS_HEX-000681_Lipid_Neg-20231008_MS_HEX-000681_Cortex_Lipid_Neg_013.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20231007_MS_HEX-000681_Met_Pos-20231007_MS_HEX-000681_Cortex_Met_Pos_013.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20231008_MS_HEX-000681_Met_Neg-20231008_MS_HEX-000681_Cortex_Met_Neg_013.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20231007_MS_HEX-000681_HALO_Pos-20231007_MS_HEX-000681_Cortex_HALO_Pos_013.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20231010_MS_HEX-000681_GM_Neg-20231010_MS_HEX-000681_Cortex_GM_Neg_013.mzML
SUBJECT_SAMPLE_FACTORS           	Cortex_11	HSA-000034474	genotype:HOM KO ATP13A2 | Sample source:brain	sex=Female; age=4.5; age_unit=month; region=Cortex; RAW_FILE_NAME(Raw Source Name.PITC)=20231013_MS_HEX-000681_PITC_Pos-20231013_MS_HEX-000681_Cortex_PITC_Pos_014.mzML; RAW_FILE_NAME(Raw Source Name.LP)=20231006_MS_HEX-000681_Lipid_Pos-20231006_MS_HEX-000681_Cortex_Lipid_Pos_014.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20231008_MS_HEX-000681_Lipid_Neg-20231008_MS_HEX-000681_Cortex_Lipid_Neg_014.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20231007_MS_HEX-000681_Met_Pos-20231007_MS_HEX-000681_Cortex_Met_Pos_014.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20231008_MS_HEX-000681_Met_Neg-20231008_MS_HEX-000681_Cortex_Met_Neg_014.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20231007_MS_HEX-000681_HALO_Pos-20231007_MS_HEX-000681_Cortex_HALO_Pos_014.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20231010_MS_HEX-000681_GM_Neg-20231010_MS_HEX-000681_Cortex_GM_Neg_014.mzML
SUBJECT_SAMPLE_FACTORS           	Cortex_12	HSA-000034475	genotype:HET KO ATP13A2 | Sample source:brain	sex=Male; age=4.5; age_unit=month; region=Cortex; RAW_FILE_NAME(Raw Source Name.PITC)=20231013_MS_HEX-000681_PITC_Pos-20231013_MS_HEX-000681_Cortex_PITC_Pos_015.mzML; RAW_FILE_NAME(Raw Source Name.LP)=20231006_MS_HEX-000681_Lipid_Pos-20231006_MS_HEX-000681_Cortex_Lipid_Pos_015.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20231008_MS_HEX-000681_Lipid_Neg-20231008_MS_HEX-000681_Cortex_Lipid_Neg_015.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20231007_MS_HEX-000681_Met_Pos-20231007_MS_HEX-000681_Cortex_Met_Pos_015.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20231008_MS_HEX-000681_Met_Neg-20231008_MS_HEX-000681_Cortex_Met_Neg_015.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20231007_MS_HEX-000681_HALO_Pos-20231007_MS_HEX-000681_Cortex_HALO_Pos_015.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20231010_MS_HEX-000681_GM_Neg-20231010_MS_HEX-000681_Cortex_GM_Neg_015.mzML
SUBJECT_SAMPLE_FACTORS           	Cortex_01	HSA-000034464	genotype:WT | Sample source:brain	sex=Female; age=4.5; age_unit=month; region=Cortex; RAW_FILE_NAME(Raw Source Name.PITC)=20231013_MS_HEX-000681_PITC_Pos-20231013_MS_HEX-000681_Cortex_PITC_Pos_016.mzML; RAW_FILE_NAME(Raw Source Name.LP)=20231006_MS_HEX-000681_Lipid_Pos-20231006_MS_HEX-000681_Cortex_Lipid_Pos_016.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20231008_MS_HEX-000681_Lipid_Neg-20231008_MS_HEX-000681_Cortex_Lipid_Neg_016.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20231007_MS_HEX-000681_Met_Pos-20231007_MS_HEX-000681_Cortex_Met_Pos_016.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20231008_MS_HEX-000681_Met_Neg-20231008_MS_HEX-000681_Cortex_Met_Neg_016.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20231007_MS_HEX-000681_HALO_Pos-20231007_MS_HEX-000681_Cortex_HALO_Pos_016.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20231010_MS_HEX-000681_GM_Neg-20231010_MS_HEX-000681_Cortex_GM_Neg_016.mzML
SUBJECT_SAMPLE_FACTORS           	Cortex_13	HSA-000034476	genotype:WT | Sample source:brain	sex=Male; age=4.5; age_unit=month; region=Cortex; RAW_FILE_NAME(Raw Source Name.PITC)=20231013_MS_HEX-000681_PITC_Pos-20231013_MS_HEX-000681_Cortex_PITC_Pos_017.mzML; RAW_FILE_NAME(Raw Source Name.LP)=20231006_MS_HEX-000681_Lipid_Pos-20231006_MS_HEX-000681_Cortex_Lipid_Pos_017.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20231008_MS_HEX-000681_Lipid_Neg-20231008_MS_HEX-000681_Cortex_Lipid_Neg_017.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20231007_MS_HEX-000681_Met_Pos-20231007_MS_HEX-000681_Cortex_Met_Pos_017.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20231008_MS_HEX-000681_Met_Neg-20231008_MS_HEX-000681_Cortex_Met_Neg_017.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20231007_MS_HEX-000681_HALO_Pos-20231007_MS_HEX-000681_Cortex_HALO_Pos_017.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20231010_MS_HEX-000681_GM_Neg-20231010_MS_HEX-000681_Cortex_GM_Neg_017.mzML
SUBJECT_SAMPLE_FACTORS           	Cortex_19	HSA-000034482	genotype:WT | Sample source:brain	sex=Female; age=4.5; age_unit=month; region=Cortex; RAW_FILE_NAME(Raw Source Name.PITC)=20231013_MS_HEX-000681_PITC_Pos-20231013_MS_HEX-000681_Cortex_PITC_Pos_018.mzML; RAW_FILE_NAME(Raw Source Name.LP)=20231006_MS_HEX-000681_Lipid_Pos-20231006_MS_HEX-000681_Cortex_Lipid_Pos_018.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20231008_MS_HEX-000681_Lipid_Neg-20231008_MS_HEX-000681_Cortex_Lipid_Neg_018.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20231007_MS_HEX-000681_Met_Pos-20231007_MS_HEX-000681_Cortex_Met_Pos_018.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20231008_MS_HEX-000681_Met_Neg-20231008_MS_HEX-000681_Cortex_Met_Neg_018.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20231007_MS_HEX-000681_HALO_Pos-20231007_MS_HEX-000681_Cortex_HALO_Pos_018.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20231010_MS_HEX-000681_GM_Neg-20231010_MS_HEX-000681_Cortex_GM_Neg_018.mzML
SUBJECT_SAMPLE_FACTORS           	Cortex_02	HSA-000034465	genotype:HOM KO ATP13A2 | Sample source:brain	sex=Male; age=4.5; age_unit=month; region=Cortex; RAW_FILE_NAME(Raw Source Name.PITC)=20231013_MS_HEX-000681_PITC_Pos-20231013_MS_HEX-000681_Cortex_PITC_Pos_019.mzML; RAW_FILE_NAME(Raw Source Name.LP)=20231006_MS_HEX-000681_Lipid_Pos-20231006_MS_HEX-000681_Cortex_Lipid_Pos_019.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20231008_MS_HEX-000681_Lipid_Neg-20231008_MS_HEX-000681_Cortex_Lipid_Neg_019.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20231007_MS_HEX-000681_Met_Pos-20231007_MS_HEX-000681_Cortex_Met_Pos_019.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20231008_MS_HEX-000681_Met_Neg-20231008_MS_HEX-000681_Cortex_Met_Neg_019.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20231007_MS_HEX-000681_HALO_Pos-20231007_MS_HEX-000681_Cortex_HALO_Pos_019.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20231010_MS_HEX-000681_GM_Neg-20231010_MS_HEX-000681_Cortex_GM_Neg_019.mzML
SUBJECT_SAMPLE_FACTORS           	Cortex_05	HSA-000034468	genotype:HOM KO ATP13A2 | Sample source:brain	sex=Male; age=4.5; age_unit=month; region=Cortex; RAW_FILE_NAME(Raw Source Name.PITC)=20231013_MS_HEX-000681_PITC_Pos-20231013_MS_HEX-000681_Cortex_PITC_Pos_020.mzML; RAW_FILE_NAME(Raw Source Name.LP)=20231006_MS_HEX-000681_Lipid_Pos-20231006_MS_HEX-000681_Cortex_Lipid_Pos_020.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20231008_MS_HEX-000681_Lipid_Neg-20231008_MS_HEX-000681_Cortex_Lipid_Neg_020.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20231007_MS_HEX-000681_Met_Pos-20231007_MS_HEX-000681_Cortex_Met_Pos_020.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20231008_MS_HEX-000681_Met_Neg-20231008_MS_HEX-000681_Cortex_Met_Neg_020.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20231007_MS_HEX-000681_HALO_Pos-20231007_MS_HEX-000681_Cortex_HALO_Pos_020.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20231010_MS_HEX-000681_GM_Neg-20231010_MS_HEX-000681_Cortex_GM_Neg_020.mzML
SUBJECT_SAMPLE_FACTORS           	Cortex_10	HSA-000034473	genotype:WT | Sample source:brain	sex=Male; age=4.5; age_unit=month; region=Cortex; RAW_FILE_NAME(Raw Source Name.PITC)=20231013_MS_HEX-000681_PITC_Pos-20231013_MS_HEX-000681_Cortex_PITC_Pos_021.mzML; RAW_FILE_NAME(Raw Source Name.LP)=20231006_MS_HEX-000681_Lipid_Pos-20231006_MS_HEX-000681_Cortex_Lipid_Pos_021.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20231008_MS_HEX-000681_Lipid_Neg-20231008_MS_HEX-000681_Cortex_Lipid_Neg_021.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20231007_MS_HEX-000681_Met_Pos-20231007_MS_HEX-000681_Cortex_Met_Pos_021.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20231008_MS_HEX-000681_Met_Neg-20231008_MS_HEX-000681_Cortex_Met_Neg_021.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20231007_MS_HEX-000681_HALO_Pos-20231007_MS_HEX-000681_Cortex_HALO_Pos_021.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20231010_MS_HEX-000681_GM_Neg-20231010_MS_HEX-000681_Cortex_GM_Neg_021.mzML
SUBJECT_SAMPLE_FACTORS           	Cortex_06	HSA-000034469	genotype:HET KO ATP13A2 | Sample source:brain	sex=Male; age=4.5; age_unit=month; region=Cortex; RAW_FILE_NAME(Raw Source Name.PITC)=20231013_MS_HEX-000681_PITC_Pos-20231013_MS_HEX-000681_Cortex_PITC_Pos_022.mzML; RAW_FILE_NAME(Raw Source Name.LP)=20231006_MS_HEX-000681_Lipid_Pos-20231006_MS_HEX-000681_Cortex_Lipid_Pos_022.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20231008_MS_HEX-000681_Lipid_Neg-20231008_MS_HEX-000681_Cortex_Lipid_Neg_022.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20231007_MS_HEX-000681_Met_Pos-20231007_MS_HEX-000681_Cortex_Met_Pos_022.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20231008_MS_HEX-000681_Met_Neg-20231008_MS_HEX-000681_Cortex_Met_Neg_022.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20231007_MS_HEX-000681_HALO_Pos-20231007_MS_HEX-000681_Cortex_HALO_Pos_022.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20231010_MS_HEX-000681_GM_Neg-20231010_MS_HEX-000681_Cortex_GM_Neg_022.mzML
SUBJECT_SAMPLE_FACTORS           	Cortex_pool-3	HSA-000035024	genotype:NA | Sample source:brain	sex=NA; age=4.5; age_unit=month; region=Cortex; RAW_FILE_NAME(Raw Source Name.PITC)=20231013_MS_HEX-000681_PITC_Pos-20231013_MS_HEX-000681_Cortex_PITC_Pos_023.mzML; RAW_FILE_NAME(Raw Source Name.LP)=20231006_MS_HEX-000681_Lipid_Pos-20231006_MS_HEX-000681_Cortex_Lipid_Pos_023.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20231008_MS_HEX-000681_Lipid_Neg-20231008_MS_HEX-000681_Cortex_Lipid_Neg_023.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20231007_MS_HEX-000681_Met_Pos-20231007_MS_HEX-000681_Cortex_Met_Pos_023.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20231008_MS_HEX-000681_Met_Neg-20231008_MS_HEX-000681_Cortex_Met_Neg_023.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20231007_MS_HEX-000681_HALO_Pos-20231007_MS_HEX-000681_Cortex_HALO_Pos_023.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20231010_MS_HEX-000681_GM_Neg-20231010_MS_HEX-000681_Cortex_GM_Neg_023.mzML
SUBJECT_SAMPLE_FACTORS           	Hipp_pool-1	HSA-000034505	genotype:NA | Sample source:brain	sex=NA; age=4.5; age_unit=month; region=Hippocampus; RAW_FILE_NAME(Raw Source Name.PITC)=20231013_MS_HEX-000681_PITC_Pos-20231013_MS_HEX-000681_HC_PITC_Pos_001.mzML; RAW_FILE_NAME(Raw Source Name.LP)=20231006_MS_HEX-000681_Lipid_Pos-20231006_MS_HEX-000681_HC_Lipid_Pos_001.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20231008_MS_HEX-000681_Lipid_Neg-20231008_MS_HEX-000681_HC_Lipid_Neg_001.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20231007_MS_HEX-000681_Met_Pos-20231007_MS_HEX-000681_HC_Met_Pos_001.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20231008_MS_HEX-000681_Met_Neg-20231008_MS_HEX-000681_HC_Met_Neg_001.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20231007_MS_HEX-000681_HALO_Pos-20231007_MS_HEX-000681_HC_HALO_Pos_001.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20231010_MS_HEX-000681_GM_Neg-20231010_MS_HEX-000681_HC_GM_Neg_001.mzML
SUBJECT_SAMPLE_FACTORS           	Hipp_18	HSA-000034502	genotype:HET KO ATP13A2 | Sample source:brain	sex=Female; age=4.5; age_unit=month; region=Hippocampus; RAW_FILE_NAME(Raw Source Name.PITC)=20231013_MS_HEX-000681_PITC_Pos-20231013_MS_HEX-000681_HC_PITC_Pos_002.mzML; RAW_FILE_NAME(Raw Source Name.LP)=20231006_MS_HEX-000681_Lipid_Pos-20231006_MS_HEX-000681_HC_Lipid_Pos_002.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20231008_MS_HEX-000681_Lipid_Neg-20231008_MS_HEX-000681_HC_Lipid_Neg_002.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20231007_MS_HEX-000681_Met_Pos-20231007_MS_HEX-000681_HC_Met_Pos_002.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20231008_MS_HEX-000681_Met_Neg-20231008_MS_HEX-000681_HC_Met_Neg_002.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20231007_MS_HEX-000681_HALO_Pos-20231007_MS_HEX-000681_HC_HALO_Pos_002.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20231010_MS_HEX-000681_GM_Neg-20231010_MS_HEX-000681_HC_GM_Neg_002.mzML
SUBJECT_SAMPLE_FACTORS           	Hipp_06	HSA-000034490	genotype:HET KO ATP13A2 | Sample source:brain	sex=Male; age=4.5; age_unit=month; region=Hippocampus; RAW_FILE_NAME(Raw Source Name.PITC)=20231013_MS_HEX-000681_PITC_Pos-20231013_MS_HEX-000681_HC_PITC_Pos_003.mzML; RAW_FILE_NAME(Raw Source Name.LP)=20231006_MS_HEX-000681_Lipid_Pos-20231006_MS_HEX-000681_HC_Lipid_Pos_003.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20231008_MS_HEX-000681_Lipid_Neg-20231008_MS_HEX-000681_HC_Lipid_Neg_003.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20231007_MS_HEX-000681_Met_Pos-20231007_MS_HEX-000681_HC_Met_Pos_003.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20231008_MS_HEX-000681_Met_Neg-20231008_MS_HEX-000681_HC_Met_Neg_003.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20231007_MS_HEX-000681_HALO_Pos-20231007_MS_HEX-000681_HC_HALO_Pos_003.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20231010_MS_HEX-000681_GM_Neg-20231010_MS_HEX-000681_HC_GM_Neg_003.mzML
SUBJECT_SAMPLE_FACTORS           	Hipp_05	HSA-000034489	genotype:HOM KO ATP13A2 | Sample source:brain	sex=Male; age=4.5; age_unit=month; region=Hippocampus; RAW_FILE_NAME(Raw Source Name.PITC)=20231013_MS_HEX-000681_PITC_Pos-20231013_MS_HEX-000681_HC_PITC_Pos_004.mzML; RAW_FILE_NAME(Raw Source Name.LP)=20231006_MS_HEX-000681_Lipid_Pos-20231006_MS_HEX-000681_HC_Lipid_Pos_004.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20231008_MS_HEX-000681_Lipid_Neg-20231008_MS_HEX-000681_HC_Lipid_Neg_004.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20231007_MS_HEX-000681_Met_Pos-20231007_MS_HEX-000681_HC_Met_Pos_004.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20231008_MS_HEX-000681_Met_Neg-20231008_MS_HEX-000681_HC_Met_Neg_004.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20231007_MS_HEX-000681_HALO_Pos-20231007_MS_HEX-000681_HC_HALO_Pos_004.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20231010_MS_HEX-000681_GM_Neg-20231010_MS_HEX-000681_HC_GM_Neg_004.mzML
SUBJECT_SAMPLE_FACTORS           	Hipp_16	HSA-000034500	genotype:WT | Sample source:brain	sex=Female; age=4.5; age_unit=month; region=Hippocampus; RAW_FILE_NAME(Raw Source Name.PITC)=20231013_MS_HEX-000681_PITC_Pos-20231013_MS_HEX-000681_HC_PITC_Pos_005.mzML; RAW_FILE_NAME(Raw Source Name.LP)=20231006_MS_HEX-000681_Lipid_Pos-20231006_MS_HEX-000681_HC_Lipid_Pos_005.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20231008_MS_HEX-000681_Lipid_Neg-20231008_MS_HEX-000681_HC_Lipid_Neg_005.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20231007_MS_HEX-000681_Met_Pos-20231007_MS_HEX-000681_HC_Met_Pos_005.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20231008_MS_HEX-000681_Met_Neg-20231008_MS_HEX-000681_HC_Met_Neg_005.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20231007_MS_HEX-000681_HALO_Pos-20231007_MS_HEX-000681_HC_HALO_Pos_005.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20231010_MS_HEX-000681_GM_Neg-20231010_MS_HEX-000681_HC_GM_Neg_005.mzML
SUBJECT_SAMPLE_FACTORS           	Hipp_08	HSA-000034492	genotype:HOM KO ATP13A2 | Sample source:brain	sex=Female; age=4.5; age_unit=month; region=Hippocampus; RAW_FILE_NAME(Raw Source Name.PITC)=20231013_MS_HEX-000681_PITC_Pos-20231013_MS_HEX-000681_HC_PITC_Pos_006.mzML; RAW_FILE_NAME(Raw Source Name.LP)=20231006_MS_HEX-000681_Lipid_Pos-20231006_MS_HEX-000681_HC_Lipid_Pos_006.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20231008_MS_HEX-000681_Lipid_Neg-20231008_MS_HEX-000681_HC_Lipid_Neg_006.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20231007_MS_HEX-000681_Met_Pos-20231007_MS_HEX-000681_HC_Met_Pos_006.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20231008_MS_HEX-000681_Met_Neg-20231008_MS_HEX-000681_HC_Met_Neg_006.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20231007_MS_HEX-000681_HALO_Pos-20231007_MS_HEX-000681_HC_HALO_Pos_006.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20231010_MS_HEX-000681_GM_Neg-20231010_MS_HEX-000681_HC_GM_Neg_006.mzML
SUBJECT_SAMPLE_FACTORS           	Hipp_03	HSA-000034487	genotype:HET KO ATP13A2 | Sample source:brain	sex=Male; age=4.5; age_unit=month; region=Hippocampus; RAW_FILE_NAME(Raw Source Name.PITC)=20231013_MS_HEX-000681_PITC_Pos-20231013_MS_HEX-000681_HC_PITC_Pos_007.mzML; RAW_FILE_NAME(Raw Source Name.LP)=20231006_MS_HEX-000681_Lipid_Pos-20231006_MS_HEX-000681_HC_Lipid_Pos_007.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20231008_MS_HEX-000681_Lipid_Neg-20231008_MS_HEX-000681_HC_Lipid_Neg_007.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20231007_MS_HEX-000681_Met_Pos-20231007_MS_HEX-000681_HC_Met_Pos_007.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20231008_MS_HEX-000681_Met_Neg-20231008_MS_HEX-000681_HC_Met_Neg_007.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20231007_MS_HEX-000681_HALO_Pos-20231007_MS_HEX-000681_HC_HALO_Pos_007.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20231010_MS_HEX-000681_GM_Neg-20231010_MS_HEX-000681_HC_GM_Neg_007.mzML
SUBJECT_SAMPLE_FACTORS           	Hipp_01	HSA-000034485	genotype:WT | Sample source:brain	sex=Female; age=4.5; age_unit=month; region=Hippocampus; RAW_FILE_NAME(Raw Source Name.PITC)=20231013_MS_HEX-000681_PITC_Pos-20231013_MS_HEX-000681_HC_PITC_Pos_008.mzML; RAW_FILE_NAME(Raw Source Name.LP)=20231006_MS_HEX-000681_Lipid_Pos-20231006_MS_HEX-000681_HC_Lipid_Pos_008.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20231008_MS_HEX-000681_Lipid_Neg-20231008_MS_HEX-000681_HC_Lipid_Neg_008.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20231007_MS_HEX-000681_Met_Pos-20231007_MS_HEX-000681_HC_Met_Pos_008.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20231008_MS_HEX-000681_Met_Neg-20231008_MS_HEX-000681_HC_Met_Neg_008.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20231007_MS_HEX-000681_HALO_Pos-20231007_MS_HEX-000681_HC_HALO_Pos_008.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20231010_MS_HEX-000681_GM_Neg-20231010_MS_HEX-000681_HC_GM_Neg_008.mzML
SUBJECT_SAMPLE_FACTORS           	Hipp_20	HSA-000034504	genotype:HOM KO ATP13A2 | Sample source:brain	sex=Female; age=4.5; age_unit=month; region=Hippocampus; RAW_FILE_NAME(Raw Source Name.PITC)=20231013_MS_HEX-000681_PITC_Pos-20231013_MS_HEX-000681_HC_PITC_Pos_009.mzML; RAW_FILE_NAME(Raw Source Name.LP)=20231006_MS_HEX-000681_Lipid_Pos-20231006_MS_HEX-000681_HC_Lipid_Pos_009.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20231008_MS_HEX-000681_Lipid_Neg-20231008_MS_HEX-000681_HC_Lipid_Neg_009.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20231007_MS_HEX-000681_Met_Pos-20231007_MS_HEX-000681_HC_Met_Pos_009.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20231008_MS_HEX-000681_Met_Neg-20231008_MS_HEX-000681_HC_Met_Neg_009.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20231007_MS_HEX-000681_HALO_Pos-20231007_MS_HEX-000681_HC_HALO_Pos_009.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20231010_MS_HEX-000681_GM_Neg-20231010_MS_HEX-000681_HC_GM_Neg_009.mzML
SUBJECT_SAMPLE_FACTORS           	Hipp_13	HSA-000034497	genotype:WT | Sample source:brain	sex=Male; age=4.5; age_unit=month; region=Hippocampus; RAW_FILE_NAME(Raw Source Name.PITC)=20231013_MS_HEX-000681_PITC_Pos-20231013_MS_HEX-000681_HC_PITC_Pos_010.mzML; RAW_FILE_NAME(Raw Source Name.LP)=20231006_MS_HEX-000681_Lipid_Pos-20231006_MS_HEX-000681_HC_Lipid_Pos_010.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20231008_MS_HEX-000681_Lipid_Neg-20231008_MS_HEX-000681_HC_Lipid_Neg_010.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20231007_MS_HEX-000681_Met_Pos-20231007_MS_HEX-000681_HC_Met_Pos_010.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20231008_MS_HEX-000681_Met_Neg-20231008_MS_HEX-000681_HC_Met_Neg_010.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20231007_MS_HEX-000681_HALO_Pos-20231007_MS_HEX-000681_HC_HALO_Pos_010.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20231010_MS_HEX-000681_GM_Neg-20231010_MS_HEX-000681_HC_GM_Neg_010.mzML
SUBJECT_SAMPLE_FACTORS           	Hipp_pool-2	HSA-000035025	genotype:NA | Sample source:brain	sex=NA; age=4.5; age_unit=month; region=Hippocampus; RAW_FILE_NAME(Raw Source Name.PITC)=20231013_MS_HEX-000681_PITC_Pos-20231013_MS_HEX-000681_HC_PITC_Pos_011.mzML; RAW_FILE_NAME(Raw Source Name.LP)=20231006_MS_HEX-000681_Lipid_Pos-20231006_MS_HEX-000681_HC_Lipid_Pos_011.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20231008_MS_HEX-000681_Lipid_Neg-20231008_MS_HEX-000681_HC_Lipid_Neg_011.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20231007_MS_HEX-000681_Met_Pos-20231007_MS_HEX-000681_HC_Met_Pos_011.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20231008_MS_HEX-000681_Met_Neg-20231008_MS_HEX-000681_HC_Met_Neg_011.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20231007_MS_HEX-000681_HALO_Pos-20231007_MS_HEX-000681_HC_HALO_Pos_011.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20231010_MS_HEX-000681_GM_Neg-20231010_MS_HEX-000681_HC_GM_Neg_011.mzML
SUBJECT_SAMPLE_FACTORS           	Hipp_02	HSA-000034486	genotype:HOM KO ATP13A2 | Sample source:brain	sex=Male; age=4.5; age_unit=month; region=Hippocampus; RAW_FILE_NAME(Raw Source Name.PITC)=20231013_MS_HEX-000681_PITC_Pos-20231013_MS_HEX-000681_HC_PITC_Pos_012.mzML; RAW_FILE_NAME(Raw Source Name.LP)=20231006_MS_HEX-000681_Lipid_Pos-20231006_MS_HEX-000681_HC_Lipid_Pos_012.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20231008_MS_HEX-000681_Lipid_Neg-20231008_MS_HEX-000681_HC_Lipid_Neg_012.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20231007_MS_HEX-000681_Met_Pos-20231007_MS_HEX-000681_HC_Met_Pos_012.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20231008_MS_HEX-000681_Met_Neg-20231008_MS_HEX-000681_HC_Met_Neg_012.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20231007_MS_HEX-000681_HALO_Pos-20231007_MS_HEX-000681_HC_HALO_Pos_012.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20231010_MS_HEX-000681_GM_Neg-20231010_MS_HEX-000681_HC_GM_Neg_012.mzML
SUBJECT_SAMPLE_FACTORS           	Hipp_10	HSA-000034494	genotype:WT | Sample source:brain	sex=Male; age=4.5; age_unit=month; region=Hippocampus; RAW_FILE_NAME(Raw Source Name.PITC)=20231013_MS_HEX-000681_PITC_Pos-20231013_MS_HEX-000681_HC_PITC_Pos_013.mzML; RAW_FILE_NAME(Raw Source Name.LP)=20231006_MS_HEX-000681_Lipid_Pos-20231006_MS_HEX-000681_HC_Lipid_Pos_013.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20231008_MS_HEX-000681_Lipid_Neg-20231008_MS_HEX-000681_HC_Lipid_Neg_013.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20231007_MS_HEX-000681_Met_Pos-20231007_MS_HEX-000681_HC_Met_Pos_013.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20231008_MS_HEX-000681_Met_Neg-20231008_MS_HEX-000681_HC_Met_Neg_013.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20231007_MS_HEX-000681_HALO_Pos-20231007_MS_HEX-000681_HC_HALO_Pos_013.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20231010_MS_HEX-000681_GM_Neg-20231010_MS_HEX-000681_HC_GM_Neg_013.mzML
SUBJECT_SAMPLE_FACTORS           	Hipp_15	HSA-000034499	genotype:HET KO ATP13A2 | Sample source:brain	sex=Male; age=4.5; age_unit=month; region=Hippocampus; RAW_FILE_NAME(Raw Source Name.PITC)=20231013_MS_HEX-000681_PITC_Pos-20231013_MS_HEX-000681_HC_PITC_Pos_014.mzML; RAW_FILE_NAME(Raw Source Name.LP)=20231006_MS_HEX-000681_Lipid_Pos-20231006_MS_HEX-000681_HC_Lipid_Pos_014.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20231008_MS_HEX-000681_Lipid_Neg-20231008_MS_HEX-000681_HC_Lipid_Neg_014.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20231007_MS_HEX-000681_Met_Pos-20231007_MS_HEX-000681_HC_Met_Pos_014.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20231008_MS_HEX-000681_Met_Neg-20231008_MS_HEX-000681_HC_Met_Neg_014.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20231007_MS_HEX-000681_HALO_Pos-20231007_MS_HEX-000681_HC_HALO_Pos_014.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20231010_MS_HEX-000681_GM_Neg-20231010_MS_HEX-000681_HC_GM_Neg_014.mzML
SUBJECT_SAMPLE_FACTORS           	Hipp_14	HSA-000034498	genotype:HOM KO ATP13A2 | Sample source:brain	sex=Female; age=4.5; age_unit=month; region=Hippocampus; RAW_FILE_NAME(Raw Source Name.PITC)=20231013_MS_HEX-000681_PITC_Pos-20231013_MS_HEX-000681_HC_PITC_Pos_015.mzML; RAW_FILE_NAME(Raw Source Name.LP)=20231006_MS_HEX-000681_Lipid_Pos-20231006_MS_HEX-000681_HC_Lipid_Pos_015.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20231008_MS_HEX-000681_Lipid_Neg-20231008_MS_HEX-000681_HC_Lipid_Neg_015.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20231007_MS_HEX-000681_Met_Pos-20231007_MS_HEX-000681_HC_Met_Pos_015.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20231008_MS_HEX-000681_Met_Neg-20231008_MS_HEX-000681_HC_Met_Neg_015.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20231007_MS_HEX-000681_HALO_Pos-20231007_MS_HEX-000681_HC_HALO_Pos_015.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20231010_MS_HEX-000681_GM_Neg-20231010_MS_HEX-000681_HC_GM_Neg_015.mzML
SUBJECT_SAMPLE_FACTORS           	Hipp_11	HSA-000034495	genotype:HOM KO ATP13A2 | Sample source:brain	sex=Female; age=4.5; age_unit=month; region=Hippocampus; RAW_FILE_NAME(Raw Source Name.PITC)=20231013_MS_HEX-000681_PITC_Pos-20231013_MS_HEX-000681_HC_PITC_Pos_016.mzML; RAW_FILE_NAME(Raw Source Name.LP)=20231006_MS_HEX-000681_Lipid_Pos-20231006_MS_HEX-000681_HC_Lipid_Pos_016.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20231008_MS_HEX-000681_Lipid_Neg-20231008_MS_HEX-000681_HC_Lipid_Neg_016.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20231007_MS_HEX-000681_Met_Pos-20231007_MS_HEX-000681_HC_Met_Pos_016.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20231008_MS_HEX-000681_Met_Neg-20231008_MS_HEX-000681_HC_Met_Neg_016.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20231007_MS_HEX-000681_HALO_Pos-20231007_MS_HEX-000681_HC_HALO_Pos_016.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20231010_MS_HEX-000681_GM_Neg-20231010_MS_HEX-000681_HC_GM_Neg_016.mzML
SUBJECT_SAMPLE_FACTORS           	Hipp_19	HSA-000034503	genotype:WT | Sample source:brain	sex=Female; age=4.5; age_unit=month; region=Hippocampus; RAW_FILE_NAME(Raw Source Name.PITC)=20231013_MS_HEX-000681_PITC_Pos-20231013_MS_HEX-000681_HC_PITC_Pos_017.mzML; RAW_FILE_NAME(Raw Source Name.LP)=20231006_MS_HEX-000681_Lipid_Pos-20231006_MS_HEX-000681_HC_Lipid_Pos_017.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20231008_MS_HEX-000681_Lipid_Neg-20231008_MS_HEX-000681_HC_Lipid_Neg_017.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20231007_MS_HEX-000681_Met_Pos-20231007_MS_HEX-000681_HC_Met_Pos_017.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20231008_MS_HEX-000681_Met_Neg-20231008_MS_HEX-000681_HC_Met_Neg_017.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20231007_MS_HEX-000681_HALO_Pos-20231007_MS_HEX-000681_HC_HALO_Pos_017.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20231010_MS_HEX-000681_GM_Neg-20231010_MS_HEX-000681_HC_GM_Neg_017.mzML
SUBJECT_SAMPLE_FACTORS           	Hipp_09	HSA-000034493	genotype:HET KO ATP13A2 | Sample source:brain	sex=Male; age=4.5; age_unit=month; region=Hippocampus; RAW_FILE_NAME(Raw Source Name.PITC)=20231013_MS_HEX-000681_PITC_Pos-20231013_MS_HEX-000681_HC_PITC_Pos_018.mzML; RAW_FILE_NAME(Raw Source Name.LP)=20231006_MS_HEX-000681_Lipid_Pos-20231006_MS_HEX-000681_HC_Lipid_Pos_018.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20231008_MS_HEX-000681_Lipid_Neg-20231008_MS_HEX-000681_HC_Lipid_Neg_018.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20231007_MS_HEX-000681_Met_Pos-20231007_MS_HEX-000681_HC_Met_Pos_018.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20231008_MS_HEX-000681_Met_Neg-20231008_MS_HEX-000681_HC_Met_Neg_018.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20231007_MS_HEX-000681_HALO_Pos-20231007_MS_HEX-000681_HC_HALO_Pos_018.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20231010_MS_HEX-000681_GM_Neg-20231010_MS_HEX-000681_HC_GM_Neg_018.mzML
SUBJECT_SAMPLE_FACTORS           	Hipp_04	HSA-000034488	genotype:WT | Sample source:brain	sex=Female; age=4.5; age_unit=month; region=Hippocampus; RAW_FILE_NAME(Raw Source Name.PITC)=20231013_MS_HEX-000681_PITC_Pos-20231013_MS_HEX-000681_HC_PITC_Pos_019.mzML; RAW_FILE_NAME(Raw Source Name.LP)=20231006_MS_HEX-000681_Lipid_Pos-20231006_MS_HEX-000681_HC_Lipid_Pos_019.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20231008_MS_HEX-000681_Lipid_Neg-20231008_MS_HEX-000681_HC_Lipid_Neg_019.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20231007_MS_HEX-000681_Met_Pos-20231007_MS_HEX-000681_HC_Met_Pos_019.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20231008_MS_HEX-000681_Met_Neg-20231008_MS_HEX-000681_HC_Met_Neg_019.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20231007_MS_HEX-000681_HALO_Pos-20231007_MS_HEX-000681_HC_HALO_Pos_019.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20231010_MS_HEX-000681_GM_Neg-20231010_MS_HEX-000681_HC_GM_Neg_019.mzML
SUBJECT_SAMPLE_FACTORS           	Hipp_17	HSA-000034501	genotype:HOM KO ATP13A2 | Sample source:brain	sex=Female; age=4.5; age_unit=month; region=Hippocampus; RAW_FILE_NAME(Raw Source Name.PITC)=20231013_MS_HEX-000681_PITC_Pos-20231013_MS_HEX-000681_HC_PITC_Pos_020.mzML; RAW_FILE_NAME(Raw Source Name.LP)=20231006_MS_HEX-000681_Lipid_Pos-20231006_MS_HEX-000681_HC_Lipid_Pos_020.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20231008_MS_HEX-000681_Lipid_Neg-20231008_MS_HEX-000681_HC_Lipid_Neg_020.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20231007_MS_HEX-000681_Met_Pos-20231007_MS_HEX-000681_HC_Met_Pos_020.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20231008_MS_HEX-000681_Met_Neg-20231008_MS_HEX-000681_HC_Met_Neg_020.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20231007_MS_HEX-000681_HALO_Pos-20231007_MS_HEX-000681_HC_HALO_Pos_020.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20231010_MS_HEX-000681_GM_Neg-20231010_MS_HEX-000681_HC_GM_Neg_020.mzML
SUBJECT_SAMPLE_FACTORS           	Hipp_12	HSA-000034496	genotype:HET KO ATP13A2 | Sample source:brain	sex=Male; age=4.5; age_unit=month; region=Hippocampus; RAW_FILE_NAME(Raw Source Name.PITC)=20231013_MS_HEX-000681_PITC_Pos-20231013_MS_HEX-000681_HC_PITC_Pos_021.mzML; RAW_FILE_NAME(Raw Source Name.LP)=20231006_MS_HEX-000681_Lipid_Pos-20231006_MS_HEX-000681_HC_Lipid_Pos_021.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20231008_MS_HEX-000681_Lipid_Neg-20231008_MS_HEX-000681_HC_Lipid_Neg_021.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20231007_MS_HEX-000681_Met_Pos-20231007_MS_HEX-000681_HC_Met_Pos_021.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20231008_MS_HEX-000681_Met_Neg-20231008_MS_HEX-000681_HC_Met_Neg_021.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20231007_MS_HEX-000681_HALO_Pos-20231007_MS_HEX-000681_HC_HALO_Pos_021.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20231010_MS_HEX-000681_GM_Neg-20231010_MS_HEX-000681_HC_GM_Neg_021.mzML
SUBJECT_SAMPLE_FACTORS           	Hipp_07	HSA-000034491	genotype:WT | Sample source:brain	sex=Male; age=4.5; age_unit=month; region=Hippocampus; RAW_FILE_NAME(Raw Source Name.PITC)=20231013_MS_HEX-000681_PITC_Pos-20231013_MS_HEX-000681_HC_PITC_Pos_022.mzML; RAW_FILE_NAME(Raw Source Name.LP)=20231006_MS_HEX-000681_Lipid_Pos-20231006_MS_HEX-000681_HC_Lipid_Pos_022.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20231008_MS_HEX-000681_Lipid_Neg-20231008_MS_HEX-000681_HC_Lipid_Neg_022.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20231007_MS_HEX-000681_Met_Pos-20231007_MS_HEX-000681_HC_Met_Pos_022.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20231008_MS_HEX-000681_Met_Neg-20231008_MS_HEX-000681_HC_Met_Neg_022.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20231007_MS_HEX-000681_HALO_Pos-20231007_MS_HEX-000681_HC_HALO_Pos_022.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20231010_MS_HEX-000681_GM_Neg-20231010_MS_HEX-000681_HC_GM_Neg_022.mzML
SUBJECT_SAMPLE_FACTORS           	Hipp_pool-3	HSA-000035026	genotype:NA | Sample source:brain	sex=NA; age=4.5; age_unit=month; region=Hippocampus; RAW_FILE_NAME(Raw Source Name.PITC)=20231013_MS_HEX-000681_PITC_Pos-20231013_MS_HEX-000681_HC_PITC_Pos_023.mzML; RAW_FILE_NAME(Raw Source Name.LP)=20231006_MS_HEX-000681_Lipid_Pos-20231006_MS_HEX-000681_HC_Lipid_Pos_023.mzML; RAW_FILE_NAME(Raw Source Name.LN)=20231008_MS_HEX-000681_Lipid_Neg-20231008_MS_HEX-000681_HC_Lipid_Neg_023.mzML; RAW_FILE_NAME(Raw Source Name.MP)=20231007_MS_HEX-000681_Met_Pos-20231007_MS_HEX-000681_HC_Met_Pos_023.mzML; RAW_FILE_NAME(Raw Source Name.MN)=20231008_MS_HEX-000681_Met_Neg-20231008_MS_HEX-000681_HC_Met_Neg_023.mzML; RAW_FILE_NAME(Raw Source Name.HALO)=20231007_MS_HEX-000681_HALO_Pos-20231007_MS_HEX-000681_HC_HALO_Pos_023.mzML; RAW_FILE_NAME(Raw Source Name.GM)=20231010_MS_HEX-000681_GM_Neg-20231010_MS_HEX-000681_HC_GM_Neg_023.mzML
#COLLECTION
CO:COLLECTION_SUMMARY            	Heterozygous Atp13a2<tm1Pjsch> animals of genotype
CO:COLLECTION_SUMMARY            	B6N.129S6(Cg)-Atp13a2tm1Pjsch/J were obtained from The Jackson Laboratory (JAX
CO:COLLECTION_SUMMARY            	strain 021914)17 and were crossed to generate homozygous Atp13a2 KO (Atp13a2
CO:COLLECTION_SUMMARY            	–/–) animals. For both the 5-month and 15-month-old cohort, female and male
CO:COLLECTION_SUMMARY            	mice were used in comparable percentages (see table below). In case of the
CO:COLLECTION_SUMMARY            	15-month-old Atp13a2 KO cohort, one of the animals died prior to study
CO:COLLECTION_SUMMARY            	conclusion and was excluded. Animals were maintained and all procedures
CO:COLLECTION_SUMMARY            	performed in adherence to ethical regulations and protocols approved by the
CO:COLLECTION_SUMMARY            	Denali Therapeutics Inc. Institutional Animal Care and Use Committee (IACUC).
CO:COLLECTION_SUMMARY            	Mice were housed under a 12-h light/12-h dark cycle and had access to water and
CO:COLLECTION_SUMMARY            	standard rodent diet ad libitum. Running wheels were provided for enrichment to
CO:COLLECTION_SUMMARY            	the cohort that was aged to 15 months.Animals were deeply anesthetized via
CO:COLLECTION_SUMMARY            	intraperitoneal injection of 2.5% Avertin and transcardially perfused with
CO:COLLECTION_SUMMARY            	ice-cold PBS using a peristaltic pump (Gilson Inc. Minipuls Evolution). The
CO:COLLECTION_SUMMARY            	brain was then removed and one hemisphere sub-dissected into the anterior cortex
CO:COLLECTION_SUMMARY            	and hippocampus, while the other was retained without sub-dissection. Tissue
CO:COLLECTION_SUMMARY            	samples were individually weighed, flash frozen on dry ice and stored at -80°C
CO:COLLECTION_SUMMARY            	for subsequent analysis.
CO:SAMPLE_TYPE                   	Brain
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             	No treatment
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	For tissue samples, 20 (± 3) mg of anterior cortex or 15 (± 2) mg of
SP:SAMPLEPREP_SUMMARY            	hippocampus from the left hemisphere of each individual animal was dissected,
SP:SAMPLEPREP_SUMMARY            	weighed and flash frozen during tissue collection. Lipids and metabolites were
SP:SAMPLEPREP_SUMMARY            	extracted from the frozen samples using 400 mL of HPLC-grade methanol (Fisher
SP:SAMPLEPREP_SUMMARY            	Chemical; # A452-4) containing stable-isotope internal standards and homogenized
SP:SAMPLEPREP_SUMMARY            	with a 3 mm tungsten carbide bead for 45 s at 25 Hz on TissueLyzer II (QIAGEN,
SP:SAMPLEPREP_SUMMARY            	#85300). The methanol fraction was isolated via centrifugation (20 min at 4°C,
SP:SAMPLEPREP_SUMMARY            	14,000 x g, transferred to a 96-well sample collection plate (Waters;
SP:SAMPLEPREP_SUMMARY            	#186005837) and incubated for 1 h, at -20°C for protein precipitation,
SP:SAMPLEPREP_SUMMARY            	followed by an additional 20 min centrifugation (4,000 x g at 4°C). The
SP:SAMPLEPREP_SUMMARY            	supernatant was transferred to glass vial plates (Analytical systems, #27350)
SP:SAMPLEPREP_SUMMARY            	for LCMS analysis.
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;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
#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-000038800	HSA-000038799	HSA-000038794	HSA-000038788	HSA-000038797	HSA-000038790	HSA-000038798	HSA-000038795	HSA-000039091	HSA-000038796	HSA-000038791	HSA-000038787	HSA-000038792	HSA-000038793	HSA-000038789	HSA-000039092	HSA-000038814	HSA-000038813	HSA-000038811	HSA-000038804	HSA-000038805	HSA-000038803	HSA-000038802	HSA-000038807	HSA-000039093	HSA-000038809	HSA-000038812	HSA-000038806	HSA-000038801	HSA-000038810	HSA-000038808	HSA-000039094	HSA-000034484	HSA-000034472	HSA-000034470	HSA-000034479	HSA-000034467	HSA-000034483	HSA-000034481	HSA-000034478	HSA-000034471	HSA-000034466	HSA-000034477	HSA-000035023	HSA-000034480	HSA-000034474	HSA-000034475	HSA-000034464	HSA-000034476	HSA-000034482	HSA-000034465	HSA-000034468	HSA-000034473	HSA-000034469	HSA-000035024	HSA-000034505	HSA-000034502	HSA-000034490	HSA-000034489	HSA-000034500	HSA-000034492	HSA-000034487	HSA-000034485	HSA-000034504	HSA-000034497	HSA-000035025	HSA-000034486	HSA-000034494	HSA-000034499	HSA-000034498	HSA-000034495	HSA-000034503	HSA-000034493	HSA-000034488	HSA-000034501	HSA-000034496	HSA-000034491	HSA-000035026
Factors	genotype:WT | Sample source:brain	genotype:HOM KO ATP13A2 | Sample source:brain	genotype:HOM KO ATP13A2 | Sample source:brain	genotype:WT | Sample source:brain	genotype:HOM KO ATP13A2 | Sample source:brain	genotype:HOM KO ATP13A2 | Sample source:brain	genotype:WT | Sample source:brain	genotype:NA | Sample source:brain	genotype:HOM KO ATP13A2 | Sample source:brain	genotype:WT | Sample source:brain	genotype:WT | Sample source:brain	genotype:HOM KO ATP13A2 | Sample source:brain	genotype:WT | Sample source:brain	genotype:WT | Sample source:brain	genotype:NA | Sample source:brain	genotype:NA | Sample source:brain	genotype:WT | Sample source:brain	genotype:WT | Sample source:brain	genotype:HOM KO ATP13A2 | Sample source:brain	genotype:WT | Sample source:brain	genotype:WT | Sample source:brain	genotype:HOM KO ATP13A2 | Sample source:brain	genotype:WT | Sample source:brain	genotype:NA | Sample source:brain	genotype:WT | Sample source:brain	genotype:HOM KO ATP13A2 | Sample source:brain	genotype:HOM KO ATP13A2 | Sample source:brain	genotype:WT | Sample source:brain	genotype:HOM KO ATP13A2 | Sample source:brain	genotype:HOM KO ATP13A2 | Sample source:brain	genotype:NA | Sample source:brain	genotype:NA | Sample source:brain	genotype:NA | Sample source:brain	genotype:HET KO ATP13A2 | Sample source:brain	genotype:WT | Sample source:brain	genotype:WT | Sample source:brain	genotype:WT | Sample source:brain	genotype:HOM KO ATP13A2 | Sample source:brain	genotype:HET KO ATP13A2 | Sample source:brain	genotype:HET KO ATP13A2 | Sample source:brain	genotype:HOM KO ATP13A2 | Sample source:brain	genotype:HET KO ATP13A2 | Sample source:brain	genotype:HOM KO ATP13A2 | Sample source:brain	genotype:NA | Sample source:brain	genotype:HOM KO ATP13A2 | Sample source:brain	genotype:HOM KO ATP13A2 | Sample source:brain	genotype:HET KO ATP13A2 | Sample source:brain	genotype:WT | Sample source:brain	genotype:WT | Sample source:brain	genotype:WT | Sample source:brain	genotype:HOM KO ATP13A2 | Sample source:brain	genotype:HOM KO ATP13A2 | Sample source:brain	genotype:WT | Sample source:brain	genotype:HET KO ATP13A2 | Sample source:brain	genotype:NA | Sample source:brain	genotype:NA | Sample source:brain	genotype:HET KO ATP13A2 | Sample source:brain	genotype:HET KO ATP13A2 | Sample source:brain	genotype:HOM KO ATP13A2 | Sample source:brain	genotype:WT | Sample source:brain	genotype:HOM KO ATP13A2 | Sample source:brain	genotype:HET KO ATP13A2 | Sample source:brain	genotype:WT | Sample source:brain	genotype:HOM KO ATP13A2 | Sample source:brain	genotype:WT | Sample source:brain	genotype:NA | Sample source:brain	genotype:HOM KO ATP13A2 | Sample source:brain	genotype:WT | Sample source:brain	genotype:HET KO ATP13A2 | Sample source:brain	genotype:HOM KO ATP13A2 | Sample source:brain	genotype:HOM KO ATP13A2 | Sample source:brain	genotype:WT | Sample source:brain	genotype:HET KO ATP13A2 | Sample source:brain	genotype:WT | Sample source:brain	genotype:HOM KO ATP13A2 | Sample source:brain	genotype:HET KO ATP13A2 | Sample source:brain	genotype:WT | Sample source:brain	genotype:NA | Sample source:brain
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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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	0.46	0.787	0.415	0.738	0.351	1.258	0.41	0.632	0.712	0.697	0.69	0.949	0.842	0.853	0.48	0.718	0.608	0.846	0.34	1.007	0.542	0.295	0.224	0.705	0.585	0.672	0.701	0.878	0.315	0.452	0.557	0.6	0.344	0.293	0.198	0.264	0.563	0.495	0.291	0.593	0.365	0.652	0.365	0.534	0.771	0.482	0.751	0.669	1.087	0.659	0.417	0.86	1.078	0.33	0.564	0.272	0.15	0.346	0.226	0.187	0.275	0.445	0.286	0.221	0.34	0.245	0.345	0.377	0.21	0.218	0.224	0.292	0.375	0.417	0.284	0.4	0.248	0.257
1-Methylnicotinamide	258.382	288.875	289.233	232.657	274.489	272.705	284.471	281.082	299.162	325.585	269.156	304.413	243.373	334.194	228.753	247.363	252.966	295.407	242.158	231.066	335.63	200.176	56.119	292.155	240.404	246.887	429.334	207.707	161.771	274.834	355.866	267.073	216.052	184.074	127.287	203.831	199.519	193.795	277.745	223.453	178.625	162.704	207.353	167.624	347.556	201.231	228.161	238.999	382.366	274.726	147.017	242.889	357.649	163.384	260.387	166.38	152.867	166.241	141.726	153.867	193.001	145.146	144.081	192.614	157.152	202.33	148.221	194.101	178.953	250.932	217.292	229.963	212.996	215.637	204.362	156.276	157.714	206.903
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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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	0.071	0.088	0.074	0.083	0.088	0.098	0.119	0.08	0.095	0.115	0.088	0.119	0.076	0.093	0.077	0.101	0.08	0.099	0.1	0.087	0.077	0.055	0.024	0.099	0.085	0.086	0.125	0.085	0.027	0.089	0.096	0.081	0.105	0.067	0.059	0.078	0.16	0.117	0.1	0.124	0.114	0.119	0.105	0.123	0.206	0.131	0.133	0.161	0.228	0.17	0.086	0.164	0.188	0.074	0.131	0.078	0.058	0.093	0.054	0.069	0.095	0.098	0.083	0.086	0.085	0.08	0.079	0.088	0.06	0.087	0.078	0.092	0.106	0.117	0.089	0.096	0.083	0.076
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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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	0.195	0.18	0.139	0.14	0.502	0.183	0.184	0.143	0.202	0.175	0.087	0.176	0.12	0.167	0.128	0.192	0.136	0.12	0.345	0.124	0.062	0.087	0.049	0.126	0.128	0.131	0.216	0.121	0.053	0.107	0.113	0.127	0.198	0.146	0.145	0.148	0.243	0.177	0.216	0.187	0.153	0.155	0.155	0.193	0.318	0.245	0.214	0.182	0.315	0.229	0.111	0.285	0.234	0.106	0.192	0.115	0.114	0.151	0.064	0.094	0.137	0.101	0.105	0.089	0.126	0.118	0.14	0.146	0.069	0.087	0.113	0.121	0.128	0.142	0.115	0.123	0.125	0.113
4-Trimethylammoniobutanal	0.019	0.022	0.019	0.018	0.018	0.017	0.019	0.017	0.02	0.021	0.016	0.025	0.018	0.019	0.018	0.021	0.016	0.02	0.017	0.012	0.014	0.012	0.006	0.016	0.018	0.014	0.028	0.016	0.012	0.016	0.019	0.017	0.031	0.022	0.016	0.025	0.04	0.039	0.027	0.035	0.034	0.031	0.031	0.034	0.047	0.036	0.033	0.038	0.043	0.036	0.023	0.043	0.043	0.021	0.031	0.019	0.011	0.02	0.014	0.017	0.026	0.022	0.02	0.02	0.017	0.019	0.017	0.023	0.015	0.024	0.019	0.018	0.023	0.027	0.02	0.019	0.02	0.018
5'-Methylthioadenosine	5.454	7.737	5.835	7.577	6.673	7.421	5.561	6.36	5.334	4.233	6.468	7.922	6.006	6.037	5.949	5.407	3.772	3.609	2.859	4.797	4.17	3.354	1.339	2.814	3.738	4.432	8.926	2.734	3.192	2.666	4.991	2.144	2.272	1.8	2.069	2.355	3.358	3.705	2.926	3.388	3.332	2.537	3.865	2.962	5.258	4.147	3.963	4.218	4.939	3.703	2.975	4.488	3.864	2.606	2.819	2.105	2.202	2.388	1.929	2.165	3.087	2.615	2.091	2.08	1.898	2.185	2.624	2.366	1.444	2.603	2.229	2.083	2.494	2.818	1.956	2.416	2.506	2.249
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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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	0.108	0.113	0.102	0.087	0.116	0.083	0.149	0.083	0.108	0.149	0.168	0.127	0.072	0.084	0.113	0.105	0.12	0.137	0.142	0.104	0.247	0.104	0.055	0.104	0.127	0.12	0.136	0.125	0.109	0.147	0.161	0.121	0.118	0.063	0.06	0.088	0.122	0.141	0.121	0.088	0.089	0.068	0.079	0.119	0.139	0.104	0.087	0.091	0.126	0.158	0.058	0.093	0.112	0.049	0.119	0.1	0.102	0.08	0.067	0.116	0.104	0.081	0.114	0.105	0.086	0.096	0.073	0.089	0.068	0.105	0.119	0.12	0.094	0.133	0.102	0.09	0.091	0.1
5-Hydroxytryptophan	0.052	0.028	0.035	0.037	0.053	0.041	0.048	0.024	0.038	0.033	0.065	0.041	0.025	0.036	0.038	0.031	0.027	0.026	0.031	0.028	0.059	0.013	0.013	0.026	0.032	0.021	0.032	0.021	0.024	0.023	0.032	0.027	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	0.593	0.407	0.302	0.627	0.642	0.501	0.758	0.524	0.47	0.474	0.641	0.561	0.965	0.609	0.568	0.651	0.601	0.752	0.474	0.625	0.765	0.404	0.774	0.396	0.505	0.536	0.475	0.458	0.5	0.492	0.437	0.595	0.359	0.627	0.553	0.448	0.405	0.512	0.574	0.707	0.569	0.629	0.534	0.508	0.314	0.58
7-Methylguanosine	0.017	0.022	0.017	0.02	0.025	0.016	0.016	0.031	0.019	0.027	0.021	0.015	0.019	0.023	0.021	0.019	0.015	0.01	0.015	0.01	0.014	0.012	0.003	0.019	0.016	0.019	0.022	0.015	0.001	0.017	0.01	0.014	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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	0	8.37E-05	0	6.01E-05	5.19E-05	0	0	9.43E-05	8.26E-05	0	0	0	4.61E-05	9.71E-05	N.D.	9.62E-05	7.89E-05	0	0	0	6.62E-05	8.02E-05	7.55E-05	5.89E-05	7.90E-05	4.14E-05	4.02E-05	9.00E-05	2.45E-05	7.00E-05	9.23E-05	0	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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	1.942	2.083	2.302	2.939	1.7	2.368	3.084	1.999	2.153	2.315	2.578	2.778	2.519	2.424	1.838	1.842	2.094	3.793	2.729	2.186	2.387	2.016	3.689	2.162	1.745	1.876	2.614	2.246	3.602	2.323	3.335	1.728	0.602	0.687	0.312	0.699	0.813	0.543	0.77	0.779	0.472	1.028	0.832	0.368	0.707	0.61	0.672	0.855	0.499	0.601	0.742	0.429	0.951	0.448	0.623	0.485	0.574	0.703	0.94	0.558	0.511	0.513	0.797	0.73	0.784	0.872	0.742	0.968	1.128	0.845	0.863	1.246	0.88	0.953	0.985	0.538	0.76	1.152
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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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	1.154	1.004	0.947	1.046	1.158	1.07	1.346	0.825	1.09	1.216	1.33	1.012	0.945	1.015	1.035	1.021	0.946	1.281	1.403	0.915	1.079	0.913	0.542	1.525	1.02	1.004	1.204	1.235	0.755	1.216	0.932	1.039	0.962	0.56	0.36	0.583	0.928	0.974	0.902	0.72	0.677	0.893	0.652	0.936	1.347	0.641	0.992	0.811	1.206	1.178	0.547	0.835	1.144	0.545	1.084	0.683	0.447	0.831	0.326	0.471	1.084	0.66	0.661	0.521	0.649	0.74	0.851	0.809	0.163	0.487	0.59	0.679	0.804	0.844	0.519	0.891	0.631	0.783
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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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	4.202	4.5	3.731	3.92	4.086	5.337	4.176	3.247	4.059	4.757	4.234	4.735	3.214	3.984	3.904	3.996	3.606	3.544	3.744	4.191	2.991	2.867	1.613	3.984	3.579	3.504	4.638	3.435	2.379	3.824	3.727	3.547	4.683	2.818	2.49	3.21	4.803	4.948	5.018	4.103	3.721	4.017	3.843	4.663	5.632	3.787	4.398	4.456	5.281	5.362	3.121	4.622	4.465	2.578	4.77	3.467	3.357	3.473	2.337	2.446	4.146	3.897	3.737	3.512	3.527	3.581	3.455	3.367	2.575	3.297	3.141	4.208	3.617	4.073	3.542	3.836	3.417	3.626
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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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	83.403	95.634	79.416	79.758	107.143	97.911	57.513	81.718	82.755	94.207	57.73	117.142	94.211	90.167	80.995	81.388	71.829	64.843	66.185	62.58	58.264	39.414	41.614	60.497	75.776	46.131	117.769	63.507	32.028	54.045	56.502	73.041	312.159	218.617	192.209	254.028	254.548	246.407	354.279	333.136	272.373	245.058	279.123	284.011	391.49	278.068	311.992	286.24	407.781	259.213	194.092	361.469	371.928	166.855	278.223	117.694	129.491	141.405	127.785	102.356	152.403	140.967	133.126	102.354	124.372	138.148	138.46	156.333	92.983	164.737	146.51	131.839	127.3	184.438	154.174	147.393	138.616	123.729
Adenosine	167.843	179.318	158.473	172.804	185.139	196.828	121.895	171.306	166.539	180.9	139.259	209.064	181.74	182.803	164.236	176.413	150.201	145.508	137.212	140.883	123.529	97.615	94.115	131.615	149.358	109.319	224.238	138.685	79.138	122.325	119.793	148.779	185.306	154.337	123.621	162.264	170.699	185.742	211.18	221.835	179.556	165.4	194.299	187.337	229.808	181.446	207.787	209.84	265.9	190.839	178.315	216.365	213.937	145.034	189.721	90.584	102.105	113.881	85.635	88.867	125.877	117.744	96.147	73.042	102.444	100.678	118.662	110.535	75.974	136.172	108.107	87.827	118.012	111.231	105.728	110.7	115.293	93.303
Adenosine diphosphate ribose	0.268	0.247	0.345	0.303	0.277	0.403	0.802	0.18	0.408	0.576	0.477	0.37	0.278	0.345	0.369	0.424	0.418	0.356	0.572	0.678	0.6	0.341	0.067	0.639	0.421	0.518	0.415	0.676	0.123	0.631	0.532	0.397	0.039	0.022	0.022	0.039	0.052	0.058	0.051	0.046	0.05	0.039	0.048	0.047	0.067	0.057	0.033	0.047	0.04	0.061	0.026	0.052	0.061	0.023	0.04	0.002	0.034	0.031	0.002	0.042	0.05	0.047	0.039	0.037	0.033	0.001	0.011	0.035	0.017	0.039	0.032	0.016	0.049	0.036	0.048	0.042	0.033	0.002
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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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	11.848	12.705	10.659	9.929	12.215	11.665	15.028	8.87	10.841	15.102	11.449	13.559	10.164	11.578	10.514	12.154	11.226	12.902	13.019	11.058	9.757	7.829	3.489	10.922	10.635	9.892	16.177	11.419	3.467	10.392	11.564	11.011	21.245	15.926	13.805	25.59	26.288	23.025	25.999	20.257	24.112	22.199	22.605	21.658	33.444	29.68	22.082	19.499	28.046	27.287	15.726	23.419	22.101	14.944	19.701	22.485	21.524	15.12	12	19.528	18.087	17.867	16.191	19.49	16.218	20.552	12.501	18.487	11.934	18.824	21.014	20.225	17.437	22.458	20.375	17.567	16.454	19.775
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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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	0.038	0.037	0.036	0.033	0.037	0.039	0.037	0.035	0.04	0.039	0.038	0.042	0.039	0.041	0.038	0.04	0.037	0.032	0.035	0.035	0.036	0.032	0.028	0.034	0.037	0.033	0.046	0.033	0.031	0.034	0.034	0.035	0.093	0.084	0.086	0.066	0.093	0.085	0.077	0.075	0.076	0.069	0.076	0.077	0.082	0.1	0.075	0.082	0.083	0.078	0.067	0.088	0.081	0.072	0.086	0.069	0.068	0.081	0.074	0.068	0.078	0.069	0.076	0.074	0.069	0.075	0.074	0.071	0.064	0.093	0.077	0.072	0.072	0.072	0.066	0.077	0.078	0.081
Arginine	1.841	2.229	1.896	1.875	1.821	1.746	1.698	1.606	1.956	2.194	1.669	2.421	1.779	1.988	1.904	1.966	1.684	1.955	1.722	1.223	1.37	1.206	0.655	1.656	1.671	1.415	2.794	1.557	1.366	1.609	1.876	1.658	2.642	1.937	1.55	2.139	3.096	3.068	2.089	2.714	2.553	2.559	2.345	2.76	3.642	2.766	2.523	2.914	3.44	3.074	2.038	3.481	3.153	1.701	2.691	1.685	0.904	1.633	1.217	1.416	2.122	1.692	1.636	1.658	1.387	1.596	1.529	1.693	1.186	1.91	1.532	1.522	1.886	2.123	1.647	1.609	1.526	1.55
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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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	0.192	0.373	0.631	1.263	1.644	2.351	2.251	2.673	3.183	5.463	3.666	6.172	6.262	5.722	5.576	7.685	6.047	5.152	8.044	6.458	4.753	3.221	1.378	7.178	7.229	6.78	13.63	8.798	1.988	8.183	9.555	9.051	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	1.063	0.88	1.06	0.818	1.057	1.371	1.473	0.794	1.271	1.068	1.081	1.022	1.2	0.79	1.411	0.96	1.522	1.347	1.21	1.586	1.503	1.088	1.283
Asparagine	26.428	31.147	23.138	24.044	27.169	24.906	22.277	26.94	27.558	31.058	30.115	31.723	23.833	24.715	20.559	27.154	18.741	17.28	18.63	13.082	16.529	9.284	5.438	16.828	19.125	15.89	36.902	15.688	10.202	17.266	18.036	18.569	27.423	17.921	14.051	26.043	36.065	24.334	31.54	27.044	28.971	24.285	26.676	25.879	30.629	35.432	24.072	30.774	32.62	30.748	23.934	27.914	28.076	19.692	26.714	14.277	14.132	13.904	9.71	18.177	18.939	14.409	12.462	15.591	13.192	13.523	12.302	14.781	10.121	15.694	16.655	14.541	19.759	19.665	16.541	14.895	14.997	17.374
Aspartic acid	103.869	131.259	112.927	107	126.697	105.248	101.864	123.936	116.748	144.891	138.181	131.912	96.732	107.289	97.754	117.022	87.573	86.911	86.64	58.985	86.326	48.577	28.677	79.034	83.013	71.134	146.917	68.42	63.171	81.476	87.435	83.535	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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	129.286	144.479	118.086	136.007	120.649	192.793	125.77	122.841	134.949	152.772	169.031	160.902	119.099	122.329	108.203	138.553	112.992	106.722	114.937	125.578	115.88	67.403	41.614	109.08	117.779	108.109	161.066	111.657	49.855	132.317	122.942	111.558	189.279	133.336	94.552	146.729	265	190.185	205.556	208.037	200.598	181.969	175.236	174.71	227.25	211.71	182.444	225.516	275.322	217.364	161.757	228.354	223.784	131.901	196.614	131.147	117.124	141.285	95.618	148.742	175.063	141.991	120.266	161.336	138.525	127.577	130.505	151.328	103.222	149.197	155.2	137.611	197.624	186.934	138.352	155.337	141.59	165.205
Betaine	10.075	13.809	11.07	6.754	5.631	6.666	18.524	6.325	9.808	21.504	11.63	13.309	7.27	15.51	16.957	11.745	10.364	9.872	6.058	6.42	7.348	7.613	6.21	11.738	11.991	7.191	17.381	10.28	12.276	11.002	14.668	9.342	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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	0.001	0.001	0.002	0.002	0.001	0.004	0.002	0.001	0.001	0.002	0.002	0.001	0.001	0.001	0.001	0.001	0.002	0.001	0.001	0.002	0.001	0.001	0	0.001	0.001	0.001	0.002	0.001	0	0.001	0.001	0.001	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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	40.608	45.38	34.439	43.204	43.165	45.251	50.148	32.288	38.734	53.659	44.308	53.897	34.946	33.972	29.102	40.734	35.453	40.991	35.848	29.691	24.136	17.15	9.645	32.148	32.253	28.135	62.3	32.702	14.225	30.037	34.967	32.414	22.612	11.579	8.976	17.484	24.953	20.587	22.407	19.144	16.798	17.824	20.278	21.515	29.892	24.471	20.362	23.852	28.195	28.455	13.226	21.633	20.767	11.279	23.216	11.792	11.793	10.684	7.123	11.433	14.957	12.957	12.028	14.091	11.614	11.306	11.698	11.215	8.137	14.388	13.113	14.529	11.941	17.215	13.891	12.377	11.311	12.024
Butyrylcarnitine	1.3	1.216	1.124	1.249	0.955	2.308	1.663	0.833	1.336	1.219	2.322	1.341	1.3	1.647	1.495	1.353	1.044	0.936	0.93	1.78	1.124	0.926	0.402	1.508	1.053	0.97	1.029	1.273	0.786	1.041	0.9	1.054	1.386	0.856	0.759	1.183	1.694	1.02	1.455	1.195	1.119	1.226	1.361	1.42	1.788	1.818	1.316	1.83	1.343	1.764	0.885	1.577	1.572	0.835	1.421	1.285	0.868	1.347	0.772	0.925	1.621	1.31	1.589	0.651	1.065	1.222	1.391	1.253	0.712	0.983	1.449	1.244	1.306	1.201	1.025	1.279	1.33	1.228
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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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	14.039	15.596	11.83	13.035	13.494	20.93	13.192	10.807	13.865	16.162	12.642	18.586	12.362	13.293	12.299	13.641	13.224	14.645	13.237	16.712	11.197	8.659	6.473	13.037	12.331	11.429	15.966	12.144	12.208	12.208	13.681	12.67	19.027	11.08	9.509	14.034	18.717	19.346	20.205	16.633	13.937	15.419	15.847	18.126	21.234	17.976	17.639	17.187	22.603	21.761	10.818	19.302	16.602	10.301	19	11.265	10.415	10.406	7.145	10.908	12.814	12.702	11.239	12.381	10.488	10.654	10.051	10.782	8.361	13.056	10.711	11.422	10.095	14.518	10.342	11.039	10.91	10.656
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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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	8.091	9.651	7.116	6.908	9.22	5.454	5.398	8.665	7.682	10.024	6.592	7.456	5.412	8.151	6.925	7.66	6.463	6.296	6.194	3.547	5.501	4.047	2.469	5.724	6.28	5.451	10.844	3.887	4.28	6.211	6.157	6.326	3.694	3.198	2.55	2.49	3.668	3.855	3.999	3.253	3.47	2.945	2.978	3.753	4.804	2.908	3.915	3.23	6.184	4.197	2.973	3.784	4.299	2.579	3.886	2.193	2.334	2.088	1.545	1.526	2.373	2.181	1.856	2.686	2.564	2.25	2.023	2.489	1.563	2.405	1.82	2.734	2.609	3.239	2.436	2.496	2.093	2.289
Citrulline	0.279	0.262	0.295	0.226	0.241	0.286	0.258	0.181	0.249	0.316	0.282	0.4	0.24	0.246	0.289	0.265	0.261	0.258	0.258	0.22	0.23	0.227	0.102	0.256	0.266	0.206	0.452	0.236	0.146	0.241	0.287	0.246	0.423	0.191	0.243	0.345	0.408	0.352	0.301	0.361	0.319	0.315	0.283	0.269	0.522	0.39	0.278	0.375	0.434	0.302	0.257	0.274	0.382	0.175	0.273	0.226	0.191	0.172	0.203	0.319	0.314	0.307	0.179	0.264	0.286	0.191	0.238	0.26	0.153	0.301	0.404	0.25	0.288	0.348	0.283	0.19	0.183	0.221
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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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	584.322	698.711	554.56	616.945	604.883	607.408	659.703	594.908	622.221	725.83	583.331	630.079	597.741	618.665	602.111	616.142	615.275	677.165	610.519	589.955	551.48	544.417	430.804	573.723	557.804	585.954	720.789	595.932	470.388	592.605	586	561.332	3016.339	2440.358	2337.911	2718.734	3084.529	3322.966	3090.93	2970.014	3041.975	3338.339	3100.949	3201.619	3495.411	3310.518	3265.376	2841.393	3784.806	3247.053	2604.002	3407.791	3080.357	2550.745	2985.052	3040.819	2690.586	2590.951	2181.78	2359.776	2841.677	2690.379	2720.443	2789.581	2723.527	2878.486	2356.351	2701.797	2085.695	2497.353	2716.665	2764.425	2473.646	2927.228	2651.676	2433.938	2743.942	2795.87
Creatinine	29.306	30.08	28.494	35.232	28.995	32.526	44.683	28.891	33.259	35.87	52.977	46.628	32.278	35.082	25.859	27.682	31.617	49.382	34.274	32.509	41.481	23.126	21.537	36.146	32.98	35.071	45.771	37.812	23.098	33.996	48.37	36.312	54.442	36.773	23.277	52.685	53.182	46.572	61.888	52.037	40.489	51.617	51.589	43.278	76.152	44.174	52.651	57.13	71.898	61.46	38.97	52.877	68.692	39.591	64.863	49.66	43.143	48.105	40.474	46.907	52.703	53.061	48.219	61.6	41.922	60.28	48.35	41.659	50.16	55.481	53.953	70.011	53.105	57.058	54.866	42.629	38.901	64.94
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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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	0.022	0.035	0.044	0.043	0.034	0.039	0.039	0.037	0.025	0.033	0.048	0.086	0.036	0.032	0.036	0.024	0.034	0.039	0.028	0.04	0.034	0.046	0.046	0.039	0.032	0.032	0.031	0.037	0.05	0.031	0.033	0.035	0.122	0.105	0.079	0.123	0.107	0.135	0.109	0.13	0.126	0.148	0.126	0.107	0.083	0.125	0.149	0.116	0.091	0.101	0.113	0.104	0.097	0.114	0.12	0.098	0.064	0.101	0.067	0.064	0.122	0.107	0.095	0.082	0.098	0.092	0.1	0.112	0.053	0.098	0.098	0.114	0.107	0.136	0.092	0.105	0.094	0.103
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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	0.01	0.005	0.004	0.005	0.015	0.013	0.009	0.01	0.008	0.012	0.006	0.011	0.016	0.011	0.013	0.009	0.022	0.015	0.007	0.013	0.015	0.005	0.01	0.008	0.003	0.011	0.005	0.005	0.009	0.01	0.007	0.007	0.009	0.008	0.01	0.011	0.004	0.007	0.007	0.007	0.01	0.012	0.006	0.01	0.008	0.008
Cysteine	0.472	0.035	0.083	0.026	0.137	0.091	0.24	0.196	0.455	0.142	0.071	0.055	0.134	0.102	0.062	0.455	0.568	0.049	0.218	0.105	0.114	0.141	0.127	0.122	0.544	0.169	0.122	0.124	0.196	0.241	0.155	0.55	0.049	0.042	0.031	0.022	0.026	0.034	0.035	0.014	0.021	0.025	0.013	0.05	0.02	0.025	0.029	0.015	0.04	0.035	0.017	0.025	0.019	0.011	0.048	0.021	0.006	0.009	0.01	0.006	0.014	0.009	0.003	N.D.	0.017	0.015	0.01	0.012	0.007	0.004	0.011	0.011	0.004	0.016	0.007	0.011	0.004	0.017
Cysteinylglycine	0.015	0.012	0.013	0.011	0.011	0.013	0.012	0.012	0.01	0.011	0.015	0.011	0.013	0.012	0.013	0.012	0.013	0.011	0.011	0.014	0.014	0.016	0.018	0.013	0.013	0.014	0.011	0.014	0.014	0.013	0.013	0.015	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Cystine	0.003	0.003	0.008	0.001	0.005	0.001	0.002	0.004	0.003	0.006	0.004	0.004	0.002	0.004	0.002	0.003	0.003	0.004	0.003	0.001	0.003	0.001	0.002	0.002	0.003	0.002	0.009	0.001	0.006	0.002	0.002	0.003	0.001	0.001	0.001	0	0	0.001	0.001	0	0	0	0	0.001	0	0	0.001	0	0.001	0.001	0	0	0.001	0.001	0.001	8.07E-05	7.18E-05	0	9.87E-05	0	5.32E-05	8.90E-05	0	5.48E-05	0	5.74E-05	0	0	8.34E-05	0	3.39E-05	0	0	0	0	0	0	8.32E-05
Cytosine	0.182	0.204	0.166	0.2	0.209	0.211	0.22	0.168	0.209	0.258	0.253	0.282	0.189	0.196	0.168	0.198	0.191	0.225	0.214	0.188	0.172	0.087	0.039	0.195	0.18	0.171	0.3	0.197	0.033	0.182	0.186	0.179	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	0.022	0.018	0.02	0.021	0.016	0.021	0.021	0.02	0.021	0.021	0.022	0.021	0.02	0.02	0.024	0.021	0.018	0.021	0.021	0.023	0.022	0.023	0.022
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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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	0.002	0.001	0.003	0.002	0.001	0.003	0.004	0.001	0.002	0.001	0.003	0.002	0.002	0.001	N.D.	0.002	0.001	0.002	0.002	0.004	0.001	0.002	0.001	0.002	0.002	0.002	0.002	0.004	0	0.001	0.001	0.001	0.008	0.003	0.002	0.004	0.009	0.005	0.005	0.004	0.004	0.006	0.005	0.007	0.007	0.006	0.007	0.006	0.004	0.013	0.004	0.006	0.006	0.005	0.007	0.007	0.005	0.01	0.004	0.009	0.009	0.007	0.012	0.004	0.005	0.008	0.011	0.009	0.003	0.004	0.007	0.007	0.01	0.009	0.004	0.007	0.007	0.009
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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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	0.482	0.582	0.421	0.537	0.523	0.596	0.356	0.477	0.451	0.557	0.354	0.699	0.568	0.411	0.347	0.421	0.447	0.558	0.446	0.346	0.306	0.193	0.397	0.351	0.427	0.274	0.734	0.358	0.305	0.22	0.377	0.484	0.188	0.057	0.07	0.083	0.174	0.126	0.124	0.13	0.149	0.093	0.162	0.139	0.12	0.102	0.128	0.133	0.187	0.109	0.126	0.178	0.173	0.051	0.141	0.072	0.068	0.064	0.059	0.049	0.103	0.048	0.054	0.094	0.113	0.074	0.075	0.12	0.053	0.04	0.056	0.067	0.084	0.151	0.08	0.089	0.059	0.091
Deoxyguanosine	0.085	0.039	0.065	0.043	0.065	0.088	0.077	0.064	0.061	0.054	0.058	0.04	0.034	0.067	0.04	0.065	0.055	0.047	0.051	0.059	0.052	0.024	N.D.	0.051	0.054	0.035	0.063	0.052	0.055	0.037	0.044	0.066	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Deoxyinosine	0.063	0.089	0.058	0.084	0.077	0.055	0.048	0.062	0.072	0.107	0.061	0.088	0.072	0.084	0.044	0.057	0.042	0.053	0.059	0.04	0.057	0.033	0.032	0.047	0.064	0.044	0.087	0.049	0.052	0.034	0.055	0.058	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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	2.689	3.318	2.816	3.55	3.119	2.071	2.878	3.291	3.091	4.077	3.515	3.683	2.617	3.908	2.402	2.623	3.031	4.496	2.71	1.714	3.609	2.134	1.892	2.936	2.871	2.855	5.101	2.555	3.003	2.831	3.682	3.425	1.085	0.63	0.382	0.85	0.941	0.79	1.066	0.758	0.568	0.613	0.591	0.683	1.642	0.604	0.98	0.893	1.691	0.954	0.615	0.772	1.29	0.679	0.911	0.746	0.532	0.562	0.654	0.61	0.758	0.644	0.516	1.059	0.602	0.985	0.476	0.479	0.596	0.937	0.78	1.098	0.671	1.052	0.809	0.631	0.358	0.958
Dimethylglycine	1.152	1.311	1.82	1.136	1.152	1.334	0.999	0.986	1.135	1.323	0.864	1.567	1.032	1.116	0.911	1.146	0.958	1.237	1.045	0.992	0.61	0.607	0.458	1.012	0.887	0.846	1.23	1.011	0.676	0.806	1.173	0.882	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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	0.567	0.487	0.461	0.465	0.505	0.486	0.449	0.467	0.477	0.476	0.418	0.493	0.444	0.394	0.431	0.392	0.383	0.412	0.405	0.353	0.316	0.204	0.176	0.264	0.266	0.271	0.296	0.25	0.184	0.278	0.276	0.276	0.979	0.911	0.896	0.836	0.607	0.897	0.843	0.706	0.792	0.847	0.846	0.758	0.815	0.816	0.774	0.615	0.712	0.737	0.699	0.731	0.716	0.838	0.802	1.064	0.776	0.79	0.497	0.628	0.735	0.697	0.736	0.762	0.735	0.815	0.666	0.65	0.62	0.646	0.736	0.665	0.411	0.595	0.702	0.439	0.809	0.74
Dopamine	20.265	27.405	6.425	19.684	28.017	33.142	0.771	2.333	22.003	26.595	4.713	37.269	19.965	37.84	25.158	17.724	10.65	1.23	1.284	0.6	0.561	1.104	0.905	1.222	10.447	0.421	42.187	0.728	11.059	0.421	0.671	11.536	20.709	4.043	1.022	19.725	15.145	16.341	34.789	19.091	11.544	12.462	14.429	19.043	31.63	11.984	22.402	15.176	42.638	24.269	9.674	21.37	30.777	5.465	21.988	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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 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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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	0.046	0.046	0.04	0.049	0.041	0.052	0.042	0.038	0.046	0.05	0.084	0.055	0.046	0.048	0.045	0.045	0.042	0.044	0.039	0.04	0.065	0.028	0.018	0.043	0.041	0.037	0.059	0.041	0.025	0.039	0.043	0.041	0.052	0.035	0.026	0.04	0.058	0.053	0.041	0.047	0.041	0.047	0.045	0.053	0.061	0.059	0.047	0.049	0.067	0.059	0.036	0.056	0.058	0.032	0.049	0.03	0.022	0.03	0.023	0.032	0.037	0.038	0.03	0.037	0.032	0.033	0.032	0.034	0.022	0.034	0.037	0.035	0.036	0.046	0.036	0.033	0.03	0.033
Ergothioneine	12.406	20.283	8.557	18.686	18.132	16.91	7.511	16.355	14.806	13.728	11.356	12.987	14.078	16.549	7.66	14.343	9.224	14.862	13.439	9.494	4.852	3.58	5.161	11.953	9.148	10.901	12.811	11.085	6.718	6.913	5.919	9.428	16.767	8.405	9.401	11.451	16.389	14.762	14.936	17.606	14.39	14.34	10.966	17.646	15.697	15.798	22.198	19.845	28.39	20.71	13.988	22.698	20.591	9.958	16.88	8.17	6.455	8.27	6.311	4.904	10.461	7.035	7.971	6.695	10.445	8.122	10.502	9.419	5.036	7.284	7.145	7.623	7.013	8.26	6.646	11.023	8.703	7.967
Ethanolamine	0.468	0.588	0.454	0.456	0.517	0.35	0.529	0.48	0.497	0.745	0.536	0.538	0.393	0.51	0.444	0.537	0.45	0.524	0.463	0.293	0.464	0.324	0.185	0.435	0.491	0.408	0.84	0.334	0.279	0.502	0.507	0.482	0.204	0.141	0.11	0.181	0.171	0.201	0.177	0.164	0.175	0.135	0.174	0.192	0.25	0.173	0.195	0.172	0.28	0.224	0.122	0.177	0.21	0.111	0.18	0.108	0.1	0.092	0.075	0.094	0.131	0.099	0.084	0.128	0.124	0.104	0.104	0.119	0.073	0.121	0.107	0.118	0.13	0.141	0.141	0.122	0.089	0.108
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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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	520.284	551.612	498.664	520.61	542.46	521.95	492.045	524.163	525.457	569.867	533.103	576.143	518.506	530.302	469.157	524.656	448.244	465.006	455.27	432.916	429.524	348.968	245.757	432.95	435.121	431.343	617.546	384.609	255.968	460.83	442.232	446.917	585.096	428.918	340.641	441.851	603.751	561.423	498.297	587.055	548.607	528.589	511.474	598.912	746.149	587.428	618.252	709.041	745.663	665.006	473.707	645.698	646.305	394.948	598.506	348.065	349.789	393.637	346.387	317.674	510.499	465.376	414.732	364.72	396.495	370.457	381.284	371.666	338.039	381.549	410.13	389.386	429.928	409.532	350.064	410.157	373.417	371.032
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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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	323.084	343.227	321.872	338.037	351.209	350.182	308.911	286.931	337.98	379.513	454.701	367.973	325.823	339.283	306.119	341.339	294.887	298.023	316.538	280.568	381.527	214.044	141.916	298.371	292.953	265.089	436.84	260.908	162.727	298.335	315.103	303.704	228.434	136.147	99.719	160.622	234.749	240.663	197.382	228.082	211.808	184.2	189.929	239.399	290.991	204.942	237.278	251.184	351.264	270.899	180.429	273.519	240.096	141.905	249.156	116.029	103.827	133.892	107.607	100.364	189.45	164.365	136.365	144.474	150.605	129.283	127.805	124.854	107.325	140.905	140.112	145.335	140.095	162.822	120.87	155.057	126.894	127.915
Glutathione	374.056	371.32	348.527	375.569	393.64	403.28	367.531	365.047	388.944	405.256	367.273	411.296	387.792	387.596	337.817	390.206	336.338	325.977	341.59	325.357	305.964	252.621	169.368	321.691	332.299	327.789	422.837	309.206	182.513	340.948	336.323	331.781	301.196	193.991	148.632	240.871	316.487	295.781	275.683	289.012	248.746	281.92	292.132	300.845	407.178	263.009	341.293	300.743	417.36	306.548	215.571	356.957	277.61	180.033	328.366	150.271	178.876	166.61	154.324	167.832	233.516	226.304	175.536	190.897	194.34	180.315	172.312	163.196	146.007	165.978	194.269	207.09	183.904	194.435	165.345	217.158	176.756	169.647
Glutathione disulfide	0.001	0.009	0.012	0.017	0.014	0.018	0.014	0.016	0.012	0.021	0.018	0.035	0.014	0.016	0.014	0.013	0.011	0.027	0.021	0.021	0.015	0.01	0.006	0.013	0.011	0.017	0.053	0.025	0.01	0.018	0.021	0.014	0.011	0.011	0.005	0.009	0.045	0.039	0.022	0.034	0.034	0.037	0.024	0.028	0.077	0.029	0.032	0.058	0.101	0.051	0.023	0.06	0.063	0.02	0.028	0.008	0.008	0.019	0.004	0.005	0.021	0.022	0.017	0.017	0.016	0.004	0.013	0.018	0.007	0.017	0.01	0.012	0.025	0.031	0.019	0.021	0.023	0.005
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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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	7250.491	8000.125	7248.039	7966.528	7221.682	7988.654	7746.645	8091.526	8017.036	8060.803	8137.185	8575.234	7448.686	7464.261	7100.262	8123.3	6803.569	6668.671	6875.576	5956.337	5979.617	5021.864	4124.445	6786.627	6865.231	6650.284	8373.378	6420.135	5198.446	6934.618	6875.276	6547.243	19396.322	14641.925	12177.359	18108.793	23430.961	19300.95	22458.347	21333.618	20250.979	17694.049	18957.467	19685.277	18402.094	22241.866	17187.922	20558.216	20728.089	22247.097	18706.735	20388.485	19724.914	17233.658	21550.94	15084.116	14199.127	14986.059	11675.758	17270.289	18471.511	14682.546	13422.444	15441.111	14758.874	14536.752	14169.611	16264.493	12392.44	15711.748	18148.037	16251.246	20204.16	17784.376	15435.388	15426.202	16020.456	18811.411
Glycine	3.538	3.936	3.27	3.564	3.83	3.509	4.197	3.779	3.844	4.259	3.439	4.098	3.117	3.474	3.197	4.016	3.34	3.557	4.26	2.773	3.314	2.373	1.385	3.795	3.422	3.27	4.96	2.973	2.751	3.797	3.636	3.607	4.334	2.42	2.03	3.652	5.289	4.454	4.632	3.978	4.523	3.451	3.022	3.741	4.336	4.335	3.58	4.133	4.906	5.412	3.015	4.135	3.988	3.075	4.684	2.583	2.488	2.652	1.595	3.056	3.34	2.545	2.377	2.939	2.742	2.638	2.371	2.984	1.745	2.806	3.123	3.437	3.681	3.147	2.858	3.051	2.802	3.044
Guanine	0.359	0.411	0.379	0.374	0.406	0.44	0.493	0.515	0.432	0.425	0.441	0.396	0.362	0.403	0.249	0.329	0.334	0.46	0.27	0.329	0.373	0.196	0.221	0.334	0.29	0.281	0.566	0.29	0.4	0.326	0.435	0.31	0.686	0.505	0.348	0.702	0.574	0.333	0.409	0.605	0.501	0.679	0.522	0.352	0.853	0.534	0.52	0.681	0.717	0.488	0.412	0.404	0.845	0.425	0.633	0.594	0.456	0.7	0.432	0.509	0.639	0.387	0.348	0.436	0.356	0.661	1.065	0.515	0.46	0.63	0.658	0.676	0.608	0.572	0.796	0.378	0.465	0.78
Guanosine	2.28	2.593	2.748	1.784	2.637	1.784	1.994	1.964	2.295	2.483	1.341	2.869	1.948	2.35	1.304	1.978	1.778	2.118	1.353	1.044	1.523	0.889	1.626	1.416	1.801	0.988	3.449	0.998	2.026	1.041	1.706	1.75	0.553	0.441	0.268	0.321	0.455	0.254	0.456	0.552	0.17	0.375	0.392	0.233	0.471	0.342	0.764	0.328	0.902	0.281	0.382	0.344	0.608	0.357	0.302	0.158	0.161	0.189	0.177	0.236	0.2	0.155	0.134	0.146	0.198	0.158	0.18	0.242	0.313	0.454	0.275	0.253	0.432	0.32	0.276	0.212	0.165	0.326
Hexanoylcarnitine	0.033	0.029	0.033	0.031	0.026	0.045	0.04	0.021	0.031	0.035	0.07	0.03	0.03	0.031	0.039	0.031	0.023	0.02	0.024	0.026	0.027	0.02	0.009	0.029	0.024	0.022	0.031	0.021	0.016	0.024	0.025	0.023	0.045	0.024	0.021	0.034	0.056	0.032	0.048	0.04	0.037	0.036	0.039	0.046	0.067	0.048	0.044	0.056	0.042	0.071	0.027	0.043	0.05	0.023	0.043	0.034	0.025	0.036	0.019	0.03	0.043	0.037	0.047	0.02	0.034	0.039	0.037	0.032	0.019	0.024	0.035	0.044	0.045	0.043	0.04	0.042	0.034	0.035
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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	31.757	14.08	13.024	22.948	29.599	31.337	30.565	26.274	19.972	28.278	18.815	26.28	28.54	26.634	19.878	15.809	23.087	33.646	17.413	26.309	22.081	11.774	27.815	9.382	15.055	5.17	3.191	11.369	8.39	8.453	6.42	13.768	8.107	7.979	5.611	8.229	6.028	17.163	8.123	16.136	12.795	8.433	10.444	11.608	8.169	9.943
Histidine	2.476	3.225	2.648	3.176	3.228	3.302	3.102	2.933	3.336	3.387	4.498	3.846	3.023	3.317	3.005	3.371	3.052	3.413	3.634	3.026	3.797	2.309	1.564	3.071	3.291	3.022	4.09	3.315	1.989	2.817	3.333	2.993	3.745	2.72	2.088	2.834	4.181	4.45	3.297	3.802	3.477	3.898	3.248	4.34	5.638	3.933	3.802	4.338	6.327	4.872	3.26	4.839	5.555	2.857	4.059	2.829	1.937	3.179	2.155	2.225	3.372	3.168	2.664	2.525	3.089	2.708	2.955	3.274	1.921	2.672	2.725	2.963	3.271	3.222	2.615	2.791	2.611	2.502
Homocysteine	0.081	0.076	0.079	0.067	0.073	0.067	0.076	0.072	0.065	0.062	0.063	0.059	0.068	0.068	0.062	0.066	0.067	0.066	0.066	0.066	0.069	0.078	0.084	0.064	0.062	0.068	0.057	0.064	0.066	0.068	0.065	0.065	0.125	0.157	0.141	0.14	0.128	0.132	0.141	0.13	0.129	0.128	0.119	0.124	0.111	0.122	0.151	0.12	0.12	0.134	0.133	0.122	0.137	0.151	0.122	0.161	0.133	0.147	0.164	0.143	0.149	0.149	0.147	0.144	0.143	0.145	0.143	0.152	0.133	0.148	0.142	0.13	0.159	0.147	0.152	0.127	0.121	0.155
Homoserine	69.78	76.4	66.533	75.4	75.268	89.399	83.535	65.359	77.983	83.905	64.437	103.816	63.86	70.624	65.108	79.926	64.29	62.947	77.063	55.592	49.196	39.417	22.14	63.712	66.849	58.801	111.917	58.921	32.952	63.545	67.981	64.024	80.656	50.973	40.842	70.484	134.64	74.422	76.863	82.733	87.305	74.093	78.032	82.416	104.317	112.333	69.488	85.963	101.08	118.575	61.993	86.558	79.562	53.189	83.723	52.781	31.121	50.593	33.763	64.416	75.55	53.843	46.474	54.318	49.498	51.716	46.362	51.812	34.184	61.227	74.274	68.139	68.577	88.876	60.625	58.655	56.953	63.235
Hydroxybutyrylcarnitine	22.276	23.807	18.666	23.696	22.499	26.471	19.936	11.554	21.259	31.056	28.474	32.48	17.3	19.488	24.012	21.795	19.358	18.679	19.56	15.184	16.444	10.906	4.532	17.795	17.043	13.716	29.741	17.375	11.806	20.656	21.902	17.69	11.513	6.887	4.757	14.981	18.314	8.993	13.973	12.229	10.012	9.33	9.749	13.892	22.051	19.503	17.71	15.507	19.498	22.546	6.78	17.437	17.056	5.348	14.304	7.514	5.628	6.273	4.139	9.719	9.273	7.946	8.101	5.102	7.471	7.029	6.482	7.802	4.062	7.758	14.11	11.156	9.762	15.165	8.429	12.147	6.959	7.314
Hydroxyhexanoylcarnitine	7.631	8.517	6.873	7.316	8.93	11.487	6.881	5.775	7.498	10.546	4.9	12.762	5.633	5.778	5.83	7.682	6.124	5.848	5.876	6.107	2.13	2.598	1.098	4.658	5.356	3.906	13.403	4.116	2.862	4.725	5.47	5.537	4.958	1.972	1.656	4.076	5.773	4.372	5.802	2.79	4.443	3.017	4.009	5.11	7.325	8.179	3.765	5.337	6.189	8.646	2.46	4.57	4.54	2.066	5.15	2.181	2.05	1.515	0.895	2.166	3.077	1.831	2.064	1.955	1.757	2.069	1.622	1.735	0.727	2.387	2.859	3.36	1.856	3.185	1.974	2.043	1.729	2.044
Hydroxyisovaleroyl carnitine	30.625	37.851	23.913	26.141	31.185	43.653	29.014	21.94	29.118	40.231	33.701	39.087	21.852	27.062	23.434	30.901	23.186	24.797	22.127	26.633	20.144	10.727	5.337	22.408	21.198	18.327	42.561	19.516	12.937	19.761	21.778	21.56	23.676	10.369	8.298	16.08	26.489	25.893	25.613	20.433	18.214	18.791	18.276	24.404	35.019	26.87	22.992	26.663	35.764	34.61	12.642	28.073	24.895	10.367	25.551	12.337	10.224	10.959	6.511	10.118	16.806	13.239	12.961	12.31	11.298	11.611	11.42	11.765	6.445	13.226	12.147	14.53	12.142	18.178	10.823	13.169	11.536	11.623
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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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	50.58	64.444	51.978	46.516	60.297	43.719	48.107	46.33	50.275	66.238	40.217	61.706	44.134	47.297	41.884	51.413	52.711	59.091	57.489	36.393	45.593	31.981	25.354	46.984	55.417	38.284	77.259	41.91	36.814	52.671	59.472	52.653	38.846	30.195	25.78	30.293	39.844	42.026	38.269	40.087	41.109	31.061	36.434	41.956	55.713	49.201	46.487	39.521	64.156	48.446	26.573	52.41	59.165	24.214	37.657	21.766	21.905	22.241	16.233	17.52	26.809	23.776	19.048	27.502	24.647	22.283	22.724	28.324	15.728	32.125	23.085	24.2	26.05	47.749	30.438	27.748	19.683	23.807
Imidazoleacetic acid	0.527	0.51	0.477	0.46	0.524	0.496	0.556	0.483	0.514	0.536	0.527	0.559	0.518	0.499	0.514	0.505	0.509	0.582	0.536	0.499	0.485	0.492	0.443	0.528	0.487	0.535	0.56	0.56	0.439	0.537	0.534	0.521	0.636	0.708	0.735	0.655	0.625	0.644	0.646	0.563	0.654	0.73	0.683	0.686	0.608	0.652	0.613	0.515	0.599	0.558	0.644	0.609	0.591	0.721	0.594	0.869	0.725	0.72	0.67	0.697	0.668	0.676	0.792	0.812	0.797	0.79	0.745	0.71	0.666	0.694	0.758	0.757	0.658	0.769	0.702	0.645	0.76	0.851
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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	0.006	0.005	0.005	0.005	0.005	0.006	0.006	0.009	0.006	0.008	0.007	0.006	0.008	0.007	0.006	0.006	0.005	0.006	0.005	0.006	0.007	0.005	0.007	0.005	0.004	0.004	0.004	0.004	0.006	0.005	0.005	0.004	0.005	0.006	0.003	0.005	0.002	0.005	0.005	0.005	0.006	0.007	0.005	0.006	0.005	0.006
Inosine	103.125	116.025	114.946	95.751	97.136	88.791	123.007	108.197	118.423	133.347	94.875	135.856	98.971	136.981	75.395	96.441	84.258	114.575	103.363	80.104	110.926	64.841	37.644	96.233	82.534	77.851	167.253	85.84	80.194	91.051	122.109	103.921	61.217	45.65	37.326	63.187	56.144	54.976	71.861	69.27	43.349	52.648	60.573	53.262	77.909	49.988	61.505	67.119	102.363	65.562	44.131	60.499	82.32	41.306	107.765	43.128	44.592	47.945	34.14	52.855	46.087	37.525	36.849	43.283	40.485	50.649	41.214	42.514	53.897	85.834	53.755	67.8	48.345	53.573	48.441	42.256	34.691	53.53
Isovalerylcarnitine	0.197	0.2	0.13	0.286	0.155	0.291	0.203	0.196	0.195	0.217	0.319	0.192	0.138	0.243	0.176	0.196	0.154	0.153	0.125	0.182	0.175	0.106	0.091	0.193	0.162	0.15	0.251	0.114	0.082	0.136	0.109	0.158	0.201	0.143	0.133	0.126	0.25	0.147	0.127	0.151	0.2	0.258	0.129	0.207	0.246	0.226	0.184	0.346	0.379	0.186	0.221	0.266	0.296	0.176	0.206	0.163	0.054	0.191	0.095	0.093	0.228	0.204	0.212	0.097	0.174	0.171	0.269	0.184	0.067	0.077	0.129	0.108	0.204	0.18	0.109	0.128	0.177	0.171
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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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	0.002	0.001	0.002	0.001	0.001	0.005	0.002	0.001	0.002	0.002	0.003	0.003	0.002	0.001	0.002	0.002	0.002	0.001	0.001	0.004	0.003	0.002	0.001	0.001	0.002	0.001	0.003	0.002	0.001	0.002	0.002	0.002	0.002	0.001	0.001	0.001	0.002	0.001	0.001	0.001	0.001	0.001	0.001	0.001	0.002	0.001	0.001	0.002	0.001	0.002	0.001	0.001	0.001	0.001	0.001	0.001	0.001	0.001	0	0.001	0.001	0.001	0.001	0.001	0.001	0.001	0.001	0.001	0	0.001	0.001	0.001	0.001	0.002	0.001	0.001	0.001	0.001
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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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	0.818	0.834	0.807	0.822	0.872	1.105	0.701	0.687	0.834	0.899	0.925	1.029	0.871	0.808	0.725	0.852	0.736	0.768	0.812	0.771	0.652	0.453	0.22	0.658	0.736	0.602	1.168	0.745	0.372	0.685	0.832	0.74	1.182	0.699	0.594	1.355	1.153	1.428	1.118	1.157	1.024	0.972	1.222	1.18	1.533	1.545	1.07	1.133	1.569	1.378	0.747	1.239	1.131	0.642	1.293	0.703	0.629	0.586	0.463	0.901	0.874	0.686	0.629	0.869	0.687	0.712	0.589	0.612	0.505	0.859	0.854	0.818	0.669	0.899	0.816	0.7	0.627	0.708
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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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	0.402	0.298	0.398	0.354	0.357	0.271	0.544	0.274	0.351	0.359	1.131	0.375	0.204	0.312	0.367	0.349	0.338	0.295	0.398	0.223	0.51	0.231	0.126	0.305	0.296	0.255	0.561	0.194	0.162	0.283	0.377	0.325	0.273	0.192	0.118	0.134	0.335	0.216	0.276	0.166	0.174	0.165	0.203	0.311	0.547	0.175	0.346	0.219	0.369	0.478	0.149	0.192	0.325	0.132	0.332	0.156	0.177	0.164	0.072	0.188	0.195	0.139	0.151	0.113	0.234	0.179	0.177	0.179	0.053	0.105	0.219	0.333	0.284	0.27	0.238	0.27	0.134	0.168
Lysine	0.246	0.273	0.282	0.253	0.307	0.223	0.317	0.186	0.277	0.384	0.237	0.323	0.204	0.247	0.215	0.275	0.219	0.243	0.305	0.164	0.189	0.135	0.08	0.217	0.235	0.197	0.469	0.218	0.113	0.259	0.267	0.219	0.192	0.107	0.074	0.165	0.251	0.27	0.161	0.203	0.182	0.156	0.174	0.217	0.364	0.237	0.164	0.22	0.296	0.286	0.098	0.234	0.232	0.081	0.201	0.1	0.055	0.094	0.056	0.107	0.138	0.105	0.098	0.117	0.082	0.095	0.096	0.1	0.062	0.114	0.118	0.108	0.107	0.152	0.107	0.092	0.08	0.097
Mannitol	0.001	0.001	0.001	0.001	0.001	0.001	0.001	0.001	0.001	0.001	0.001	0.001	0.001	0.001	0.001	0.001	0.001	0.001	0.001	0.001	0	0	0	0.001	0	0.001	0.001	0.001	0	0	0.001	0	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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	1.78	1.381	1.521	1.868	1.393	3.441	2.825	1.064	1.937	1.843	3.631	2.394	1.639	2.365	1.62	1.587	1.603	1.676	1.3	2.395	1.871	1.1	0.741	1.879	1.517	1.222	1.894	1.771	1.427	1.381	1.566	1.559	2.579	1.8	1.024	2.798	2.888	1.649	3.132	1.985	2.037	2.191	2.904	2.036	3.678	2.643	2.458	3.499	2.745	3.029	1.718	2.657	3.635	1.894	3.254	2.699	1.643	2.928	1.695	1.742	3.083	2.334	2.895	1.606	1.955	3.204	2.919	2.253	2.036	2.44	3.109	3.353	2.964	2.747	2.402	2.418	2.225	3.208
Methionine	1.037	1.211	0.864	0.971	0.92	0.976	1.173	0.92	1.095	1.385	1.118	2.126	0.842	1.011	1.062	1.041	0.998	1.033	0.889	0.802	0.987	0.688	0.323	0.972	0.986	0.827	1.675	0.798	0.861	0.97	0.901	1.001	0.741	0.461	0.453	0.475	0.719	0.85	0.694	0.62	0.629	0.562	0.541	0.699	1.01	0.67	0.742	0.614	0.962	0.833	0.518	0.702	0.76	0.429	0.723	0.441	0.345	0.485	0.267	0.326	0.604	0.452	0.376	0.503	0.479	0.513	0.46	0.523	0.273	0.506	0.404	0.475	0.456	0.531	0.602	0.524	0.509	0.479
Methionine S-oxide	2.172	2.573	1.706	2.305	2.399	1.64	2.297	2.05	2.387	2.692	4.166	5.428	1.532	2.119	2.394	2.341	1.852	1.776	1.838	1.593	1.678	1.366	0.875	1.841	2.078	1.617	3.617	1.11	2.257	1.794	1.11	2.049	5.075	3.825	4.118	3.232	5.106	4.939	6.087	5.143	5.573	4.989	5.243	4.987	5.574	5.975	5.549	4.859	5.368	5.088	5.541	5.81	5.154	4.664	5.878	5.136	4.257	5.029	3.397	4.356	5.452	4.802	3.666	6.06	4.275	4.649	3.947	4.789	4.074	6.308	4.37	4.507	6.642	4.417	5.277	4.907	5.953	5.569
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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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	0.521	0.456	0.413	0.526	0.518	0.542	0.736	0.426	0.544	0.526	0.552	0.513	0.527	0.516	0.542	0.538	0.545	0.724	0.656	0.494	0.503	0.464	0.251	0.611	0.58	0.626	0.593	0.611	0.401	0.524	0.569	0.542	0.418	0.213	0.139	0.22	0.403	0.426	0.37	0.318	0.371	0.36	0.301	0.404	0.485	0.309	0.39	0.332	0.693	0.513	0.273	0.409	0.448	0.224	0.464	0.287	0.194	0.307	0.153	0.15	0.364	0.254	0.277	0.213	0.236	0.28	0.297	0.313	0.082	0.219	0.27	0.272	0.267	0.324	0.164	0.312	0.22	0.261
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.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.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.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.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.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.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	678.356	739.853	625.715	678.803	712.898	674.862	526.535	635.88	581.283	707.868	651.068	699.469	640.958	596.953	641.292	559.567	480.493	463.926	463.876	417.519	464.765	329.884	263.227	506.559	503.779	413.797	672.849	464.778	312.206	452.139	501.289	482.969	309.415	194.375	145.431	139.629	268.898	239.971	211.301	246.968	232.997	207.386	238.219	321.088	226.551	300.416	343.843	284.014	367.433	332.205	192.863	298.579	326.989	139.698	171.449	127.602	99.409	151.072	84.565	123.341	161.296	207.078	160.552	145.306	154.896	110.955	138.745	156.844	121.625	167.677	122.044	189.679	91.49	149.538	136.775	159.877	107.987	131.513
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.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.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.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.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.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.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	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6.14E-05	8.31E-05	0	0	0	0	0	0	0	0	0	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
N-Acetylserine	0.006	0.006	0.005	0.006	0.005	0.006	0.008	0.005	0.006	0.006	0.006	0.008	0.005	0.004	0.005	0.006	0.005	0.006	0.006	0.006	0.007	0.004	0.003	0.006	0.005	0.005	0.008	0.005	0.003	0.006	0.006	0.005	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.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	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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-Acetylspermidine	8.48	6.983	11.505	11.034	5.605	14.303	14.98	6.522	8.671	11.829	5.899	9.423	8.735	6.518	6.277	9.056	7.956	4.902	5.094	8.794	3.666	2.913	3.498	5.937	8.766	5.199	15.937	8.45	2.665	9.201	9.943	8.292	9.435	3.734	2.702	7.684	10.559	10.019	17.632	8.733	11.015	7.237	8.18	8.628	12.792	14.039	6.115	6.964	10.641	9.304	6.081	11.321	6.898	3.377	8.366	4.918	8.217	3.177	3.27	3.968	8.252	3.599	2.002	8.272	2.978	5.068	4.803	2.84	2.513	4.771	5.727	3.587	4.793	4.257	5.029	3.403	3.12	5.52
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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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-N8-Diacetylspermidine	0.315	0.314	0.36	0.381	0.288	0.506	0.417	0.252	0.384	0.288	0.238	0.422	0.299	0.324	0.212	0.401	0.262	0.279	0.177	0.333	0.159	0.08	0.117	0.281	0.258	0.258	0.565	0.284	0.103	0.305	0.242	0.272	0.261	0.189	0.194	0.229	0.25	0.283	0.659	0.307	0.276	0.269	0.219	0.25	0.329	0.356	0.163	0.213	0.272	0.277	0.255	0.296	0.337	0.171	0.292	0.205	0.459	0.149	0.097	0.274	0.152	0.174	0.118	0.201	0.105	0.133	0.131	0.127	0.109	0.223	0.178	0.136	0.158	0.151	0.174	0.196	0.113	0.364
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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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	2.537	3.163	2.704	2.943	3.079	2.648	2.798	2.901	3.231	3.679	3.021	3.619	2.761	3.078	2.61	3.154	2.394	2.83	2.879	1.987	2.192	1.481	0.821	2.529	2.404	2.237	4.26	2.403	1.014	2.347	2.507	2.323	2.655	1.793	1.4	2.23	3.036	2.867	2.374	2.634	2.684	2.49	2.392	2.906	4.506	3.06	3.087	3.456	4.502	3.798	2.106	3.478	3.65	1.689	2.992	1.559	1.206	1.731	1.067	1.412	1.985	1.736	1.647	1.599	1.592	1.517	1.569	1.588	1.028	1.829	1.599	1.719	1.726	2.245	1.657	1.699	1.476	1.577
NAD	0.033	0.055	0.029	0.046	0.041	0.045	0.011	0.058	0.046	0.037	0.059	0.023	0.046	0.054	0.052	0.039	0.01	0.005	0.006	0.004	0.004	0.005	0.002	0.011	0.009	0.007	0.023	0.005	0.003	0.003	0.004	0.007	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Niacinamide	6.739	6.575	6.961	6.563	6.885	6.605	8.005	5.649	6.696	8.204	6.786	8.671	5.727	6.1	6.1	6.676	7.178	7.972	7.753	7.341	7.367	5.818	3.986	7.653	7.274	7.147	9.103	7.301	5.303	7.761	7.935	7.103	11.755	7.228	6.55	8.211	11.418	11.774	10.297	9.953	9.459	8.772	9.543	10.879	12.996	10.651	9.755	10.772	12.89	12.154	7.673	11.468	10.946	6.608	10.821	8.957	7.807	7.714	6.949	7.489	9.893	8.919	8.334	8.501	8.461	9.262	7.62	7.84	6.227	9.141	8.399	9.103	8.566	10.567	8.177	9.115	7.758	9.381
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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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	0.105	0.123	0.099	0.062	0.126	0.07	0.093	0.111	0.101	0.169	0.08	0.095	0.104	0.099	0.078	0.112	0.099	0.087	0.059	0.059	0.072	0.085	0.031	0.062	0.08	0.084	0.12	0.093	0.051	0.068	0.071	0.073	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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	0.105	0.099	0.108	0.1	0.109	0.1	0.136	0.079	0.108	0.14	0.102	0.156	0.079	0.085	0.085	0.105	0.118	0.133	0.134	0.118	0.12	0.082	0.047	0.126	0.119	0.113	0.165	0.117	0.07	0.132	0.136	0.116	0.161	0.095	0.084	0.113	0.173	0.176	0.153	0.135	0.134	0.121	0.135	0.155	0.207	0.159	0.139	0.155	0.206	0.18	0.098	0.164	0.161	0.083	0.151	0.12	0.108	0.108	0.082	0.101	0.147	0.125	0.111	0.121	0.116	0.122	0.102	0.108	0.078	0.127	0.115	0.137	0.123	0.158	0.114	0.125	0.103	0.117
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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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	0.001	0.001	0.001	0.001	0.001	0.001	0.001	0.001	0.001	0.001	0.001	0.001	0.001	0.001	0.001	0.001	0.001	0.001	0.001	0.001	0.001	0.001	0	0.001	0.001	0.001	0.001	0.001	0.001	0.001	0.001	0.001	0.001	0	0	0	0.001	0.001	0.001	0	0.001	0.001	0	0.001	0.001	0.001	0	0.001	0.001	0.001	0.001	0.001	0.001	0	0.001	0	0	0	0	0	0	0.001	0.001	0	0	0.001	0.001	0	0	0.001	0.001	0	0	0.001	0	0.001	0	0.001
Octanoylcarnitine	0.007	0.008	0.01	0.008	0.005	0.011	0.007	0.005	0.007	0.007	0.015	0.008	0.006	0.007	0.008	0.008	0.005	0.002	0.006	0.007	0.002	0.005	0.002	0.006	0.004	0.005	0.007	0.003	0.003	0.003	0.004	0.005	0.008	0.005	0.002	0.004	0.009	0.005	0.007	0.006	0.007	0.006	0.005	0.006	0.008	0.007	0.006	0.006	0.006	0.014	0.005	0.006	0.008	0.003	0.006	0.005	0.005	0.006	0.002	0.009	0.006	0.006	0.006	0.003	0.007	0.008	0.009	0.004	0.003	0.003	0.006	0.006	0.006	0.008	0.005	0.007	0.008	0.007
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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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	0.379	0.406	0.284	0.273	0.285	0.33	0.281	0.211	0.302	0.279	0.269	0.437	0.232	0.318	0.328	0.344	0.204	0.35	0.287	0.223	0.179	0.191	0.063	0.316	0.236	0.28	0.295	0.25	0.199	0.249	0.218	0.23	0.244	0.144	0.108	0.212	0.213	0.23	0.226	0.146	0.17	0.176	0.23	0.199	0.327	0.347	0.227	0.306	0.287	0.33	0.153	0.231	0.142	0.123	0.302	0.188	0.123	0.163	0.09	0.126	0.175	0.116	0.136	0.145	0.144	0.168	0.152	0.123	0.099	0.186	0.191	0.159	0.121	0.262	0.145	0.207	0.157	0.078
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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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	5.895	5.722	4.943	7.159	5.455	4.732	8.429	4.205	6.035	6.689	6.972	5.342	3.97	5.339	6.16	5.456	5.578	6.393	6.368	4.048	6.106	4.434	2.98	6.656	5.499	5.273	8.541	5.056	3.665	6.705	5.239	5.721	2.536	1.375	0.976	1.22	2.486	2.546	2.603	1.726	1.891	1.799	1.702	2.66	3.823	1.692	2.555	2.174	3.447	3.318	1.408	2.207	3.091	1.189	3.117	1.783	1.446	1.589	0.808	1.261	2.367	1.356	1.378	1.208	1.814	1.595	1.879	1.779	0.504	1.229	1.561	1.725	2.038	1.996	1.613	2.017	1.316	1.663
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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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	2.541	2.545	2.303	2.623	2.23	2.853	2.285	2.123	2.484	2.793	4.411	2.933	2.596	2.662	2.43	2.477	2.329	2.391	2.215	2.206	3.509	1.588	1.021	2.367	2.245	2.005	3.265	2.346	1.421	2.148	2.388	2.265	3.373	2.247	1.72	2.716	3.761	3.469	2.687	2.978	2.737	3.156	2.921	3.392	4.05	3.86	2.98	3.17	4.265	3.768	2.439	3.798	3.735	2.039	3.366	2.171	1.445	2.037	1.56	2.061	2.492	2.348	2.078	2.431	2.208	2.224	2.152	2.161	1.555	2.424	2.39	2.178	2.316	2.793	2.368	2.175	2.046	2.166
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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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	5.143	5.777	5.274	5.088	5.968	6.201	5.186	5.309	5.889	6.025	5.957	6.101	5.901	5.942	5.017	5.565	4.817	5.232	4.987	4.885	4.564	3.237	2.057	5.068	4.79	4.436	7.139	4.991	2.79	4.47	5.104	4.99	4.011	2.844	2.189	4.007	4.331	3.844	3.574	3.48	3.229	3.338	2.956	3.38	4.199	4.158	3.512	3.716	4.623	3.755	2.54	4.349	3.911	2.049	3.305	2.038	1.842	1.827	1.368	2.291	2.419	2.299	1.936	2.464	1.953	2.025	1.834	2.106	1.571	2.038	2.021	1.882	1.97	2.489	2.106	1.864	1.744	1.995
Propionylcarnitine	1.509	1.64	1.621	1.399	1.058	3.105	1.263	1.03	1.51	1.58	1.358	2.031	1.784	1.574	1.492	1.505	1.169	0.863	0.68	2.572	0.794	0.989	0.533	1.399	1.127	0.788	1.143	1.604	1.024	1.155	0.895	1.143	1.454	1.16	1.352	2.159	1.842	0.928	1.491	1.289	1.566	1.442	1.479	1.453	1.465	2.707	1.538	2.271	1.208	1.548	1.178	2.08	1.815	1.154	1.413	1.375	1.078	1.295	1.084	2.606	1.601	1.313	1.578	0.617	0.957	1.327	1.252	1.413	0.915	1.041	1.858	0.956	1.155	1.182	1.101	1.152	1.523	1.319
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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	0.532	0.39	0.456	0.433	0.508	0.576	0.55	0.552	0.497	0.579	0.508	0.584	0.532	0.448	0.615	0.536	0.614	0.505	0.495	0.57	0.519	0.454	0.6	0.678	0.535	0.507	0.57	0.524	0.577	0.574	0.574	0.655	0.611	0.682	0.435	0.608	0.575	0.628	0.571	0.584	0.496	0.506	0.652	0.531	0.627	0.671
Pyroglutamic acid	10.318	11.23	9.133	7.941	10.053	6.418	6.81	8.788	10.892	11.003	11.341	9.109	7.006	9.222	7.767	11.574	7.34	7.017	9.053	5.895	10.109	4.709	3.129	8.256	9.528	6.921	14.333	5.966	5.824	8.157	8.023	9.331	3.502	2.088	2.003	2.308	3.473	4.36	3.273	3.268	3.338	3.263	3.076	3.763	4.568	3.165	3.844	3.772	5.515	5.792	2.733	4.233	4.276	2.846	3.964	2.332	2.249	2.554	2.019	2.534	2.621	2.915	2.291	3.011	2.641	2.596	2.262	2.081	1.845	2.811	2.352	2.951	2.475	3.157	2.657	2.636	2.582	2.775
S-Adenosylhomocysteine	28.969	45.521	25.154	27.809	37.81	38.48	24.074	36.718	36.765	46.519	36.4	47.053	30.454	44.143	32.399	37.637	29.258	25.332	29.02	19.714	27.919	17.203	13.987	20.379	29.082	22.102	51.13	18.443	17.678	23.438	25.576	28.916	8.436	6.573	4.269	8.744	14.11	5.33	9.04	9.101	11.752	8.311	7.818	7.755	10.944	12.32	9.475	9.722	12.407	8.959	7.377	12.931	9.923	5.293	9.956	3.625	5.002	3.269	3.291	6.675	6.044	3.299	4.473	5.012	3.457	4.932	3.854	7.693	3.539	5.552	5.046	4.358	5.951	9.389	5.228	4.87	5.139	6.101
S-Adenosylmethionine	1.881	2.054	1.858	1.904	1.849	1.852	1.735	1.571	1.963	1.848	1.664	1.964	1.448	1.6	1.365	1.876	1.368	1.342	1.394	1.293	0.819	0.801	0.511	1.237	1.376	1.154	1.799	1.294	0.788	1.147	1.187	1.311	0.321	0.241	0.237	0.181	0.346	0.359	0.276	0.209	0.285	0.22	0.205	0.279	0.339	0.298	0.209	0.241	0.434	0.346	0.17	0.306	0.356	0.123	0.229	0.148	0.119	0.116	0.097	0.121	0.114	0.112	0.104	0.079	0.105	0.147	0.12	0.118	0.08	0.092	0.102	0.102	0.119	0.085	0.114	0.1	0.072	0.172
Sarcosine	12.548	13.637	10.203	12.114	12.406	12.141	13.147	11.622	12.206	13.512	12.281	14.404	11.854	12.61	11.863	13.003	12.514	13.871	13.326	12.11	10.911	9.633	6.712	12.541	11.774	12.27	12.846	12.728	7.447	11.396	12.425	12.045	27.624	20.648	18.6	23.355	27.02	28.734	27.873	26.499	26.05	29.641	27.066	28.57	31.635	29.441	29.238	25.406	36.113	28.831	21.857	31.47	28.253	22.014	28.551	26.466	23.516	23.586	19.055	20.96	26.66	25.28	25.253	25.296	24.633	25.393	22.002	24.568	17.8	23.689	25.494	25.9	23.2	27.62	24.208	23.335	24.842	26.053
Serine	186.633	209.896	169.904	192.142	180.828	169.494	255.005	197.02	206.753	238.227	226.957	241.581	163.754	174.467	164.222	202.767	170.278	191.651	195.618	135.362	165.235	114.446	64.388	178.563	179.191	170.747	264.753	156.938	60.42	198.457	186.95	170.277	249.866	158.297	112.283	225.466	357.297	235.885	237.99	233.142	254.16	202.824	232.158	238.969	291.973	285.507	187.737	304.03	294.907	287.393	186.593	216.8	218.872	172.527	237.535	159.907	125.275	168.631	119.764	231.677	222.329	187.276	157.477	218.724	157.744	173.539	155.966	167.708	141.19	174.499	220.986	207.32	237.286	256.145	181.6	175.497	177.649	226.657
Serotonin	7.667	8.506	8.677	8.767	9.114	9.055	9.28	7.454	7.172	9.355	9.943	10.175	8.038	9.248	8.616	6.531	6.663	10.808	7.095	10.008	11.069	6.085	3.336	11.016	6.939	8.139	10.049	8.582	7.516	7.337	11.533	8.905	1.121	1.134	0.378	1.049	1.369	0.873	2.162	1.072	1.815	1.289	1.454	0.804	1.859	1.161	1.179	1.335	3.519	1.593	0.795	0.929	2.306	0.998	1.864	0.905	1.096	0.776	0.825	1.358	0.995	1.032	0.983	1.086	1.048	1.917	1.49	0.837	1.312	1.661	1.874	2.563	1.562	1.432	0.986	0.91	0.924	1.604
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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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	0.169	0.178	0.141	0.235	0.169	0.1	0.227	0.134	0.16	0.206	0.164	0.118	0.1	0.154	0.185	0.168	0.164	0.2	0.232	0.082	0.166	0.124	0.115	0.177	0.182	0.203	0.24	0.132	0.105	0.187	0.169	0.174	0.295	0.267	0.199	0.179	0.357	0.308	0.48	0.267	0.356	0.214	0.298	0.347	0.702	0.22	0.474	0.246	0.584	0.523	0.227	0.323	0.387	0.178	0.351	0.238	0.243	0.208	0.141	0.486	0.307	0.208	0.181	0.139	0.364	0.213	0.239	0.307	0.094	0.216	0.292	0.307	0.383	0.293	0.357	0.365	0.194	0.221
Sucrose	0.014	0.008	0.015	0.007	0.008	0.009	0.006	0.009	0.01	0.009	0.017	0.009	0.013	0.016	0.032	0.011	0.01	0.006	0.008	0.016	0.019	0.017	0.008	0.013	0.01	0.006	0.007	0.008	0.009	0.008	0.018	0.01	0.006	0.002	0.002	0.004	0.003	0.008	0.006	0.005	0.003	0.002	0.024	0.005	0.007	0.003	0.002	0.003	0.04	0.006	0.002	0.004	0.003	0.002	0.005	0.004	0.005	0.002	0.011	0.004	0.002	0.002	0.002	0.014	0.002	0.004	0.002	0.002	0.002	0.007	0.004	0.007	0.002	0.002	0.008	0.003	0.002	0.003
Taurine	2.628	2.804	2.714	2.457	2.79	2.802	2.586	2.749	2.736	2.723	2.744	2.587	2.692	2.707	2.877	2.61	2.541	2.505	2.42	2.755	2.746	2.499	2.166	2.757	2.593	2.567	2.727	2.682	2.183	2.65	2.699	2.64	3.038	2.714	2.86	2.71	3.401	3.003	3.04	2.667	2.879	2.421	2.572	2.792	3.082	3.048	2.453	3.097	3.099	2.975	2.143	3.73	2.884	2.133	2.714	2.111	2.268	2.386	2.181	2.298	2.526	2.083	2.255	2.266	2.224	2.198	2.193	2.321	1.914	2.476	2.32	2.217	2.107	2.251	2.277	2.35	2.452	2.151
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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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	0.682	0.791	0.648	0.69	0.571	0.811	0.577	0.611	0.641	0.93	0.56	0.742	0.632	0.697	0.606	0.787	0.569	0.695	0.444	0.503	0.421	0.369	0.225	0.517	0.511	0.409	0.904	0.524	0.355	0.592	0.516	0.596	0.964	0.718	0.69	0.315	0.758	1.263	0.39	0.523	0.602	0.737	0.517	0.591	1.1	0.764	0.37	0.357	0.784	0.855	0.591	0.934	1.023	0.598	0.435	0.474	0.499	0.491	0.423	0.326	0.176	0.315	0.477	0.404	0.218	0.291	0.993	0.32	0.494	0.317	0.448	0.414	0.591	0.549	1.271	0.605	0.658	0.417
Threonine	60.53	69.261	58.719	68.851	69.106	80.404	75.376	57.978	70.377	74.428	56.095	94.289	57.856	62.521	57.229	69.366	55.963	59.361	68.821	47.535	42.893	34.874	18.637	53.686	58.307	50.86	97.915	50.761	28.434	55.856	58.263	56.841	48.826	28.19	24.374	39.478	84.625	45.819	44.282	47.919	47.19	40.121	40.609	50.41	63.45	59.143	41.861	45.06	61.307	65.197	33.367	45.773	45.812	30.295	48.355	27.456	17.073	24.017	15.563	34.2	44.886	27.384	24.62	28.049	27.31	26.4	22.773	30.409	18.491	31.736	39.234	33.975	34.939	47.463	32.675	29.945	27.016	35.696
Trigonelline	0.341	0.3	0.335	0.299	0.144	0.541	0.622	0.246	0.39	0.581	0.434	0.619	0.265	0.41	0.499	0.4	0.468	0.387	0.171	0.624	0.326	0.448	0.205	0.435	0.49	0.294	0.675	0.365	0.691	0.553	0.5	0.508	0.556	0.239	0.229	0.417	0.432	0.581	0.465	0.326	0.394	0.29	0.355	0.523	0.541	0.382	0.401	0.467	0.402	0.623	0.215	0.381	0.356	0.187	0.549	0.331	0.35	0.237	0.146	0.272	0.397	0.271	0.307	0.398	0.25	0.323	0.295	0.286	0.185	0.371	0.277	0.299	0.27	0.372	0.303	0.321	0.249	0.308
Trimethylamine-N-oxide	0.105	0.099	0.093	0.1	0.091	0.133	0.178	0.063	0.107	0.068	0.081	0.201	0.072	0.14	0.12	0.11	0.101	0.044	0.043	0.066	0.019	0.058	0.021	0.076	0.097	0.041	0.275	0.036	0.06	0.04	0.062	0.097	0.135	0.07	0.1	0.078	0.14	0.106	0.18	0.118	0.116	0.054	0.107	0.141	0.231	0.164	0.12	0.09	0.07	0.228	0.056	0.105	0.133	0.069	0.141	0.061	0.095	0.039	0.025	0.049	0.092	0.027	0.043	0.06	0.023	0.053	0.029	0.04	0.037	0.058	0.083	0.102	0.031	0.081	0.159	0.044	0.044	0.053
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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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	0.377	0.316	0.379	0.348	0.349	0.475	0.367	0.292	0.375	0.466	1.152	0.436	0.341	0.324	0.406	0.382	0.357	0.292	0.337	0.367	0.867	0.253	0.15	0.297	0.36	0.271	0.476	0.289	0.239	0.361	0.397	0.358	0.131	0.087	0.072	0.147	0.194	0.14	0.101	0.096	0.133	0.138	0.124	0.104	0.202	0.15	0.111	0.182	0.109	0.199	0.088	0.132	0.155	0.082	0.177	0.118	0.072	0.084	0.064	0.123	0.118	0.1	0.129	0.117	0.075	0.088	0.077	0.094	0.066	0.165	0.117	0.12	0.152	0.155	0.113	0.094	0.085	0.093
Tyrosine	0.259	0.265	0.213	0.242	0.324	0.21	0.258	0.198	0.253	0.27	0.546	0.324	0.235	0.239	0.192	0.255	0.237	0.279	0.336	0.162	0.399	0.133	0.096	0.233	0.232	0.205	0.343	0.24	0.139	0.21	0.229	0.234	0.104	0.083	0.056	0.09	0.132	0.095	0.054	0.101	0.091	0.117	0.075	0.103	0.101	0.108	0.123	0.122	0.107	0.125	0.104	0.092	0.114	0.07	0.106	0.092	0.046	0.082	0.062	0.095	0.076	0.105	0.108	0.103	0.074	0.092	0.098	0.102	0.075	0.072	0.089	0.086	0.095	0.138	0.086	0.087	0.085	0.092
Uracil	1.749	2.084	1.496	1.268	1.833	1.927	1.031	1.524	1.588	2.434	1.452	1.807	1.758	1.662	1.199	1.539	1.376	1.679	1.42	1.348	1.229	0.8	0.392	1.516	1.175	1.172	1.855	1.619	0.601	1.7	1.297	1.404	0.47	0.403	0.324	0.484	0.461	0.317	0.435	0.541	0.516	0.43	0.572	0.479	0.742	0.75	0.578	0.505	0.956	0.554	0.354	0.57	0.661	0.305	0.512	0.28	0.316	0.318	0.189	0.376	0.474	0.323	0.288	0.212	0.457	0.311	0.285	0.423	0.233	0.455	0.549	0.264	0.394	0.42	0.362	0.379	0.317	0.311
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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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	0.617	0.876	0.684	0.643	0.633	1.539	0.589	0.499	0.735	0.779	1.069	0.626	0.758	0.65	0.461	0.711	0.522	0.577	0.397	0.611	0.449	0.192	0.221	0.353	0.549	0.409	1.056	0.484	0.254	0.503	0.426	0.494	0.551	0.412	0.384	0.359	0.423	0.437	0.536	0.415	0.413	0.507	0.342	0.479	0.632	0.582	0.528	0.595	0.536	0.56	0.418	0.653	0.567	0.326	0.674	0.236	0.24	0.193	0.13	0.304	0.382	0.2	0.207	0.354	0.232	0.243	0.247	0.455	0.165	0.319	0.389	0.306	0.379	0.293	0.382	0.324	0.293	0.36
Uridine	4.206	3.965	3.144	2.819	3.015	3.548	2.956	2.885	3.449	4.076	2.394	3.567	3.817	3.093	3.001	3.163	2.59	2.386	2.715	2.164	2.021	1.384	1.09	2.412	2.599	1.811	4.503	2.004	1.462	2.305	2.82	2.662	0.451	0.362	0.153	0.327	0.48	0.28	0.441	0.562	0.601	0.304	0.429	0.259	1.274	0.357	0.271	0.521	0.454	0.766	0.309	0.501	0.696	0.316	0.215	0.409	0.367	0.166	0.229	0.174	0.203	0.28	0.279	0.339	0.328	0.179	0.192	0.25	0.196	0.262	0.288	0.204	0.318	0.345	0.241	0.324	0.352	0.164
Valerobetaine	3.575	2.229	4.574	3.01	2.004	5.746	5.335	2.444	3.586	5.03	2.765	6.52	2.436	2.8	4.17	3.651	3.592	2.298	2.159	4.74	1.909	3.262	1.5	2.987	3.735	2.64	5.764	2.81	3.627	4.369	5.094	3.606	4.598	1.683	0.387	2.91	4.203	5.843	6.54	1.887	7.585	2.48	5.743	3.776	7.438	3.474	2.249	3.077	3.474	5.099	2.237	3.226	1.087	1.104	3.216	3.17	3.53	1.589	1.265	2.217	8.224	1.935	1.899	3.398	1.981	3.033	1.952	0.648	1.196	3.824	2.434	2.871	1.764	2.763	4.045	1.907	0.595	3.349
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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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	0.061	0.064	0.054	0.053	0.066	0.071	0.05	0.054	0.061	0.073	0.072	0.073	0.058	0.06	0.056	0.058	0.05	0.055	0.062	0.054	0.046	0.029	0.016	0.052	0.05	0.046	0.084	0.052	0.025	0.052	0.054	0.05	0.054	0.031	0.026	0.046	0.064	0.06	0.042	0.052	0.047	0.046	0.04	0.056	0.066	0.062	0.047	0.053	0.069	0.065	0.035	0.06	0.057	0.028	0.051	0.029	0.022	0.027	0.022	0.034	0.034	0.032	0.03	0.035	0.03	0.03	0.03	0.029	0.024	0.032	0.036	0.032	0.029	0.04	0.034	0.028	0.027	0.029
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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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	17.797	22.393	25.132	17.583	20.217	22.233	16.083	16.597	20.411	23.579	16.246	38.098	16.157	19.041	11.528	17.47	17.219	23.283	13.948	13.395	14.34	7.61	9.786	12.544	16.287	9.596	40.374	12.562	14.957	12.049	17.742	16.858	19.38	14.352	9.58	19.732	18.923	17.013	25.149	21.175	16.894	14.808	22.73	16.224	28.458	19.359	21.946	24.593	34.447	22.103	13.757	20.613	29.49	13.729	22.133	10.131	9.982	10.673	9.178	11.794	12.667	9.816	8.94	13.268	9.771	12.196	10.454	10.75	10.624	19.082	13.681	14.162	11.964	19.286	15.684	9.21	9.607	13.678
Xanthosine	0.148	0.146	0.242	0.224	0.164	0.213	0.204	0.126	0.171	0.139	0.187	0.271	0.157	0.143	0.098	0.134	0.116	0.223	0.158	0.124	0.143	0.074	0.114	0.105	0.123	0.086	0.261	0.163	0.142	0.109	0.158	0.152	0.545	0.431	0.347	0.54	0.348	0.373	0.434	0.458	0.421	0.343	0.462	0.325	0.444	0.398	0.386	0.495	0.504	0.456	0.305	0.423	0.541	0.414	0.457	0.34	0.336	0.392	0.361	0.394	0.313	0.394	0.374	0.411	0.374	0.525	0.453	0.438	0.406	0.488	0.48	0.486	0.505	0.393	0.542	0.385	0.319	0.477
alpha-Tocopherol	0.062	0.072	0.095	0.084	0.081	0.085	0.122	0.07	0.066	0.095	0.114	0.082	0.074	0.072	0.089	0.066	0.079	0.079	0.073	0.081	0.126	0.085	0.043	0.084	0.071	0.084	0.086	0.079	0.042	0.103	0.093	0.075	0.018	0.013	0.008	0.017	0.032	0.029	0.027	0.021	0.019	0.01	0.014	0.028	0.021	0.026	0.019	0.019	0.014	0.044	0.009	0.018	0.013	0.014	0.018	0.016	0.014	0.013	0.011	0.017	0.025	0.012	0.014	0.027	0.015	0.014	0.017	0.018	0.009	0.023	0.014	0.022	0.012	0.015	0.029	0.02	0.008	0.027
cADPRibose	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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-Aminobutyric acid	1.353	1.522	1.219	1.259	1.329	1.399	1.089	0.943	1.276	1.544	1.252	1.764	1.046	1.332	1.352	1.258	1.196	1.265	1.164	1.043	1.123	0.775	0.626	1.106	1.208	0.963	1.702	1.003	1.479	1.093	1.139	1.18	2.21	1.309	1.111	1.703	2.019	2.488	2.109	2.01	1.666	1.585	1.534	2.183	2.371	2.158	1.9	1.834	2.479	2.418	1.281	2.347	2.057	0.951	2.123	1.044	0.994	0.98	0.836	1.197	1.164	1.121	1.037	1.167	1.023	1.067	0.882	1.019	0.865	1.199	1.253	1.099	1.091	1.303	1.092	1.011	0.983	1.049
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