#METABOLOMICS WORKBENCH Jung_DNLI_20250918_120528 DATATRACK_ID:6449 STUDY_ID:ST004230 ANALYSIS_ID:AN007043 PROJECT_ID:PR002147
VERSION             	1
CREATED_ON             	September 25, 2025, 10:37 am
#PROJECT
PR:PROJECT_TITLE                 	TREM2 expression level is critical for microglial state, metabolic capacity and
PR:PROJECT_TITLE                 	efficacy of TREM2 agonism
PR:PROJECT_TYPE                  	Preclinical Mouse study
PR:PROJECT_SUMMARY               	Triggering receptor expressed on myeloid cells 2 (TREM2) is a central regulator
PR:PROJECT_SUMMARY               	of microglial activity and sequence variants are major risk factors for late
PR:PROJECT_SUMMARY               	onset Alzheimer’s disease (LOAD). To better understand the molecular and
PR:PROJECT_SUMMARY               	functional changes associated with TREM2 signalling, we generated a TREM2
PR:PROJECT_SUMMARY               	reporter mouse model and observed a gradual upregulation of reporter expression
PR:PROJECT_SUMMARY               	with increasing plaque proximity. Isolated microglia were sorted based on
PR:PROJECT_SUMMARY               	reporter expression and their transcriptomic profiles acquired in both wildtype
PR:PROJECT_SUMMARY               	and APP transgenic animals, allowing us to disentangle TREM2 versus
PR:PROJECT_SUMMARY               	pathology-specific effects. Bulk RNA sequencing highlighted TREM2
PR:PROJECT_SUMMARY               	level-dependent changes in major immunometabolic pathways, with enrichment of
PR:PROJECT_SUMMARY               	genes in oxidative phosphorylation and cholesterol metabolism in microglia with
PR:PROJECT_SUMMARY               	increased TREM2 expression. To confirm these findings, we next analysed uptake
PR:PROJECT_SUMMARY               	of fluorodeoxyglucose (FDG) and examined metabolomic and lipidomic profiles.
PR:PROJECT_SUMMARY               	Again, independent of Aβ pathology, TREM2 expression correlated with uptake of
PR:PROJECT_SUMMARY               	FDG as well as increased cellular redox, energetics, and cholesterol
PR:PROJECT_SUMMARY               	homeostasis. Finally, we performed chronic treatment with a brain penetrant
PR:PROJECT_SUMMARY               	TREM2 agonist and identified a window of TREM2 expression where microglia are
PR:PROJECT_SUMMARY               	most responsive. Thus, our data provide novel insights into TREM2-mediated
PR:PROJECT_SUMMARY               	regulation of microglial metabolic function and informs current efforts to bring
PR:PROJECT_SUMMARY               	TREM2 agonists into clinical application.
PR:INSTITUTE                     	Denali Therapeutics
PR:DEPARTMENT                    	Development Sciences
PR:LAST_NAME                     	Suh
PR:FIRST_NAME                    	Jung
PR:ADDRESS                       	161 Oyster Point Blvd, South San Francisco, California, 94080, USA
PR:EMAIL                         	suh@dnli.com
PR:PHONE                         	+1 6507973837
PR:FUNDING_SOURCE                	Denali Therapeutics
PR:PUBLICATIONS                  	https://www.biorxiv.org/content/10.1101/2024.07.18.604115v1
#STUDY
ST:STUDY_TITLE                   	Effect of ATV:4D9 on Microglial Metabolism and FDG levels in mKate-TREM2/APP
ST:STUDY_TITLE                   	mouse model
ST:STUDY_SUMMARY                 	Targeted lipid and metabolite profiling was performed in microglia from
ST:STUDY_SUMMARY                 	mKate-TREM2/APP mice treated with ATV:4D9, a blood–brain barrier-penetrant
ST:STUDY_SUMMARY                 	TREM2 agonist antibody, following FDG injection to assess effects on glucose
ST:STUDY_SUMMARY                 	uptake. Microglia were isolated and sorted by fluorescent TREM2 reporter
ST:STUDY_SUMMARY                 	expression, enabling analysis of low-, mid-, and high-TREM2 subpopulations.
ST:STUDY_SUMMARY                 	LC-MS data show that the low TREM2 subpopulations derived from mice dosed
ST:STUDY_SUMMARY                 	chronically with ATV:4D9 and isotype control have similar lipidomic and
ST:STUDY_SUMMARY                 	metabolomic profiles, while the mid and high TREM2 subpopulations are distinct
ST:STUDY_SUMMARY                 	and cluster depending upon antibody dosing, suggesting that the TREM2 agonist
ST:STUDY_SUMMARY                 	antibody differentially modulates microglial metabolism dependent on TREM2
ST:STUDY_SUMMARY                 	expression level.
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 6507973837
ST:NUM_GROUPS                    	5
ST:TOTAL_SUBJECTS                	26
ST:NUM_MALES                     	26
ST:STUDY_COMMENTS                	Release as soon as it is possible
ST:PUBLICATIONS                  	https://www.biorxiv.org/content/10.1101/2024.07.18.604115v1
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
SU:AGE_OR_AGE_RANGE              	15 mo
SU:GENDER                        	Male
#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           	38_blank	HSA-000036741	condition:NA | treatment:NA | Sample source:microglia	genotype=APP; RAW_FILE_NAME(Raw Source Name.LN)=20240223_BL_HEX-000754_Lipid_Neg_001; RAW_FILE_NAME(Raw Source Name.LP)=20240223_BL_HEX-000754_Lipid_Pos_001; RAW_FILE_NAME(Raw Source Name.MN)=20240225_BL_HEX-000754_Met_Neg_001; RAW_FILE_NAME(Raw Source Name.MP)=20240223_BL_HEX-000754_Met_Pos_001; RAW_FILE_NAME(Raw Source Name.FN)=20240225_BL_HEX-000754_pFDG_Neg_001
SUBJECT_SAMPLE_FACTORS           	Pool_1	HSA-000036740	condition:NA | treatment:NA | Sample source:microglia	genotype=APP; RAW_FILE_NAME(Raw Source Name.LN)=20240223_BL_HEX-000754_Lipid_Neg_002; RAW_FILE_NAME(Raw Source Name.LP)=20240223_BL_HEX-000754_Lipid_Pos_002; RAW_FILE_NAME(Raw Source Name.MN)=20240225_BL_HEX-000754_Met_Neg_002; RAW_FILE_NAME(Raw Source Name.MP)=20240223_BL_HEX-000754_Met_Pos_002; RAW_FILE_NAME(Raw Source Name.FN)=20240225_BL_HEX-000754_pFDG_Neg_002
SUBJECT_SAMPLE_FACTORS           	15_53_ATV Iso _mid	HSA-000036718	condition:mid | treatment:ATV Iso | Sample source:microglia	genotype=APP; RAW_FILE_NAME(Raw Source Name.LN)=20240223_BL_HEX-000754_Lipid_Neg_003; RAW_FILE_NAME(Raw Source Name.LP)=20240223_BL_HEX-000754_Lipid_Pos_003; RAW_FILE_NAME(Raw Source Name.MN)=20240225_BL_HEX-000754_Met_Neg_003; RAW_FILE_NAME(Raw Source Name.MP)=20240223_BL_HEX-000754_Met_Pos_003; RAW_FILE_NAME(Raw Source Name.FN)=20240225_BL_HEX-000754_pFDG_Neg_003
SUBJECT_SAMPLE_FACTORS           	13_51_ATV Iso _mid	HSA-000036716	condition:mid | treatment:ATV Iso | Sample source:microglia	genotype=APP; RAW_FILE_NAME(Raw Source Name.LN)=20240223_BL_HEX-000754_Lipid_Neg_004; RAW_FILE_NAME(Raw Source Name.LP)=20240223_BL_HEX-000754_Lipid_Pos_004; RAW_FILE_NAME(Raw Source Name.MN)=20240225_BL_HEX-000754_Met_Neg_004; RAW_FILE_NAME(Raw Source Name.MP)=20240223_BL_HEX-000754_Met_Pos_004; RAW_FILE_NAME(Raw Source Name.FN)=20240225_BL_HEX-000754_pFDG_Neg_004
SUBJECT_SAMPLE_FACTORS           	27_53_ATV Iso _high	HSA-000036730	condition:high | treatment:ATV Iso | Sample source:microglia	genotype=APP; RAW_FILE_NAME(Raw Source Name.LN)=20240223_BL_HEX-000754_Lipid_Neg_005; RAW_FILE_NAME(Raw Source Name.LP)=20240223_BL_HEX-000754_Lipid_Pos_005; RAW_FILE_NAME(Raw Source Name.MN)=20240225_BL_HEX-000754_Met_Neg_005; RAW_FILE_NAME(Raw Source Name.MP)=20240223_BL_HEX-000754_Met_Pos_005; RAW_FILE_NAME(Raw Source Name.FN)=20240225_BL_HEX-000754_pFDG_Neg_005
SUBJECT_SAMPLE_FACTORS           	3_53_ATV Iso _low	HSA-000036706	condition:low | treatment:ATV Iso | Sample source:microglia	genotype=APP; RAW_FILE_NAME(Raw Source Name.LN)=20240223_BL_HEX-000754_Lipid_Neg_006; RAW_FILE_NAME(Raw Source Name.LP)=20240223_BL_HEX-000754_Lipid_Pos_006; RAW_FILE_NAME(Raw Source Name.MN)=20240225_BL_HEX-000754_Met_Neg_006; RAW_FILE_NAME(Raw Source Name.MP)=20240223_BL_HEX-000754_Met_Pos_006; RAW_FILE_NAME(Raw Source Name.FN)=20240225_BL_HEX-000754_pFDG_Neg_006
SUBJECT_SAMPLE_FACTORS           	33_66_ATV Iso _high	HSA-000036736	condition:high | treatment:ATV Iso | Sample source:microglia	genotype=APP; RAW_FILE_NAME(Raw Source Name.LN)=20240223_BL_HEX-000754_Lipid_Neg_007; RAW_FILE_NAME(Raw Source Name.LP)=20240223_BL_HEX-000754_Lipid_Pos_007; RAW_FILE_NAME(Raw Source Name.MN)=20240225_BL_HEX-000754_Met_Neg_007; RAW_FILE_NAME(Raw Source Name.MP)=20240223_BL_HEX-000754_Met_Pos_007; RAW_FILE_NAME(Raw Source Name.FN)=20240225_BL_HEX-000754_pFDG_Neg_007
SUBJECT_SAMPLE_FACTORS           	31_59_ATV 4D9 _high	HSA-000036734	condition:high | treatment:ATV 4D9 | Sample source:microglia	genotype=APP; RAW_FILE_NAME(Raw Source Name.LN)=20240223_BL_HEX-000754_Lipid_Neg_008; RAW_FILE_NAME(Raw Source Name.LP)=20240223_BL_HEX-000754_Lipid_Pos_008; RAW_FILE_NAME(Raw Source Name.MN)=20240225_BL_HEX-000754_Met_Neg_008; RAW_FILE_NAME(Raw Source Name.MP)=20240223_BL_HEX-000754_Met_Pos_008; RAW_FILE_NAME(Raw Source Name.FN)=20240225_BL_HEX-000754_pFDG_Neg_008
SUBJECT_SAMPLE_FACTORS           	18_56_ATV 4D9 _mid	HSA-000036721	condition:mid | treatment:ATV 4D9 | Sample source:microglia	genotype=APP; RAW_FILE_NAME(Raw Source Name.LN)=20240223_BL_HEX-000754_Lipid_Neg_009; RAW_FILE_NAME(Raw Source Name.LP)=20240223_BL_HEX-000754_Lipid_Pos_009; RAW_FILE_NAME(Raw Source Name.MN)=20240225_BL_HEX-000754_Met_Neg_009; RAW_FILE_NAME(Raw Source Name.MP)=20240223_BL_HEX-000754_Met_Pos_009; RAW_FILE_NAME(Raw Source Name.FN)=20240225_BL_HEX-000754_pFDG_Neg_009
SUBJECT_SAMPLE_FACTORS           	34_68_ATV Iso _high	HSA-000036737	condition:high | treatment:ATV Iso | Sample source:microglia	genotype=APP; RAW_FILE_NAME(Raw Source Name.LN)=20240223_BL_HEX-000754_Lipid_Neg_010; RAW_FILE_NAME(Raw Source Name.LP)=20240223_BL_HEX-000754_Lipid_Pos_010; RAW_FILE_NAME(Raw Source Name.MN)=20240225_BL_HEX-000754_Met_Neg_010; RAW_FILE_NAME(Raw Source Name.MP)=20240223_BL_HEX-000754_Met_Pos_010; RAW_FILE_NAME(Raw Source Name.FN)=20240225_BL_HEX-000754_pFDG_Neg_010
SUBJECT_SAMPLE_FACTORS           	6_56_ATV 4D9 _low	HSA-000036709	condition:low | treatment:ATV 4D9 | Sample source:microglia	genotype=APP; RAW_FILE_NAME(Raw Source Name.LN)=20240223_BL_HEX-000754_Lipid_Neg_011; RAW_FILE_NAME(Raw Source Name.LP)=20240223_BL_HEX-000754_Lipid_Pos_011; RAW_FILE_NAME(Raw Source Name.MN)=20240225_BL_HEX-000754_Met_Neg_011; RAW_FILE_NAME(Raw Source Name.MP)=20240223_BL_HEX-000754_Met_Pos_011; RAW_FILE_NAME(Raw Source Name.FN)=20240225_BL_HEX-000754_pFDG_Neg_011
SUBJECT_SAMPLE_FACTORS           	36_70_ATV Iso _high	HSA-000036739	condition:high | treatment:ATV Iso | Sample source:microglia	genotype=APP; RAW_FILE_NAME(Raw Source Name.LN)=20240223_BL_HEX-000754_Lipid_Neg_012; RAW_FILE_NAME(Raw Source Name.LP)=20240223_BL_HEX-000754_Lipid_Pos_012; RAW_FILE_NAME(Raw Source Name.MN)=20240225_BL_HEX-000754_Met_Neg_012; RAW_FILE_NAME(Raw Source Name.MP)=20240223_BL_HEX-000754_Met_Pos_012; RAW_FILE_NAME(Raw Source Name.FN)=20240225_BL_HEX-000754_pFDG_Neg_012
SUBJECT_SAMPLE_FACTORS           	16_54_ATV 4D9 _mid	HSA-000036719	condition:mid | treatment:ATV 4D9 | Sample source:microglia	genotype=APP; RAW_FILE_NAME(Raw Source Name.LN)=20240223_BL_HEX-000754_Lipid_Neg_013; RAW_FILE_NAME(Raw Source Name.LP)=20240223_BL_HEX-000754_Lipid_Pos_013; RAW_FILE_NAME(Raw Source Name.MN)=20240225_BL_HEX-000754_Met_Neg_013; RAW_FILE_NAME(Raw Source Name.MP)=20240223_BL_HEX-000754_Met_Pos_013; RAW_FILE_NAME(Raw Source Name.FN)=20240225_BL_HEX-000754_pFDG_Neg_013
SUBJECT_SAMPLE_FACTORS           	25_51_ATV Iso _high	HSA-000036728	condition:high | treatment:ATV Iso | Sample source:microglia	genotype=APP; RAW_FILE_NAME(Raw Source Name.LN)=20240223_BL_HEX-000754_Lipid_Neg_014; RAW_FILE_NAME(Raw Source Name.LP)=20240223_BL_HEX-000754_Lipid_Pos_014; RAW_FILE_NAME(Raw Source Name.MN)=20240225_BL_HEX-000754_Met_Neg_014; RAW_FILE_NAME(Raw Source Name.MP)=20240223_BL_HEX-000754_Met_Pos_014; RAW_FILE_NAME(Raw Source Name.FN)=20240225_BL_HEX-000754_pFDG_Neg_014
SUBJECT_SAMPLE_FACTORS           	9_66_ATV Iso _low	HSA-000036712	condition:low | treatment:ATV Iso | Sample source:microglia	genotype=APP; RAW_FILE_NAME(Raw Source Name.LN)=20240223_BL_HEX-000754_Lipid_Neg_015; RAW_FILE_NAME(Raw Source Name.LP)=20240223_BL_HEX-000754_Lipid_Pos_015; RAW_FILE_NAME(Raw Source Name.MN)=20240225_BL_HEX-000754_Met_Neg_015; RAW_FILE_NAME(Raw Source Name.MP)=20240223_BL_HEX-000754_Met_Pos_015; RAW_FILE_NAME(Raw Source Name.FN)=20240225_BL_HEX-000754_pFDG_Neg_015
SUBJECT_SAMPLE_FACTORS           	7_59_ATV 4D9 _low	HSA-000036710	condition:low | treatment:ATV 4D9 | Sample source:microglia	genotype=APP; RAW_FILE_NAME(Raw Source Name.LN)=20240223_BL_HEX-000754_Lipid_Neg_016; RAW_FILE_NAME(Raw Source Name.LP)=20240223_BL_HEX-000754_Lipid_Pos_016; RAW_FILE_NAME(Raw Source Name.MN)=20240225_BL_HEX-000754_Met_Neg_016; RAW_FILE_NAME(Raw Source Name.MP)=20240223_BL_HEX-000754_Met_Pos_016; RAW_FILE_NAME(Raw Source Name.FN)=20240225_BL_HEX-000754_pFDG_Neg_016
SUBJECT_SAMPLE_FACTORS           	19_59_ATV 4D9 _mid	HSA-000036722	condition:mid | treatment:ATV 4D9 | Sample source:microglia	genotype=APP; RAW_FILE_NAME(Raw Source Name.LN)=20240223_BL_HEX-000754_Lipid_Neg_017; RAW_FILE_NAME(Raw Source Name.LP)=20240223_BL_HEX-000754_Lipid_Pos_017; RAW_FILE_NAME(Raw Source Name.MN)=20240225_BL_HEX-000754_Met_Neg_017; RAW_FILE_NAME(Raw Source Name.MP)=20240223_BL_HEX-000754_Met_Pos_017; RAW_FILE_NAME(Raw Source Name.FN)=20240225_BL_HEX-000754_pFDG_Neg_017
SUBJECT_SAMPLE_FACTORS           	8_65_ATV 4D9 _low	HSA-000036711	condition:low | treatment:ATV 4D9 | Sample source:microglia	genotype=APP; RAW_FILE_NAME(Raw Source Name.LN)=20240223_BL_HEX-000754_Lipid_Neg_018; RAW_FILE_NAME(Raw Source Name.LP)=20240223_BL_HEX-000754_Lipid_Pos_018; RAW_FILE_NAME(Raw Source Name.MN)=20240225_BL_HEX-000754_Met_Neg_018; RAW_FILE_NAME(Raw Source Name.MP)=20240223_BL_HEX-000754_Met_Pos_018; RAW_FILE_NAME(Raw Source Name.FN)=20240225_BL_HEX-000754_pFDG_Neg_018
SUBJECT_SAMPLE_FACTORS           	2_52_ATV 4D9 _low	HSA-000036705	condition:low | treatment:ATV 4D9 | Sample source:microglia	genotype=APP; RAW_FILE_NAME(Raw Source Name.LN)=20240223_BL_HEX-000754_Lipid_Neg_019; RAW_FILE_NAME(Raw Source Name.LP)=20240223_BL_HEX-000754_Lipid_Pos_019; RAW_FILE_NAME(Raw Source Name.MN)=20240225_BL_HEX-000754_Met_Neg_019; RAW_FILE_NAME(Raw Source Name.MP)=20240223_BL_HEX-000754_Met_Pos_019; RAW_FILE_NAME(Raw Source Name.FN)=20240225_BL_HEX-000754_pFDG_Neg_019
SUBJECT_SAMPLE_FACTORS           	Pool_2	HSA-000037077	condition:NA | treatment:NA | Sample source:microglia	genotype=APP; RAW_FILE_NAME(Raw Source Name.LN)=20240223_BL_HEX-000754_Lipid_Neg_020; RAW_FILE_NAME(Raw Source Name.LP)=20240223_BL_HEX-000754_Lipid_Pos_020; RAW_FILE_NAME(Raw Source Name.MN)=20240225_BL_HEX-000754_Met_Neg_020; RAW_FILE_NAME(Raw Source Name.MP)=20240223_BL_HEX-000754_Met_Pos_020; RAW_FILE_NAME(Raw Source Name.FN)=20240225_BL_HEX-000754_pFDG_Neg_020
SUBJECT_SAMPLE_FACTORS           	12_70_ATV Iso _low	HSA-000036715	condition:low | treatment:ATV Iso | Sample source:microglia	genotype=APP; RAW_FILE_NAME(Raw Source Name.LN)=20240223_BL_HEX-000754_Lipid_Neg_021; RAW_FILE_NAME(Raw Source Name.LP)=20240223_BL_HEX-000754_Lipid_Pos_021; RAW_FILE_NAME(Raw Source Name.MN)=20240225_BL_HEX-000754_Met_Neg_021; RAW_FILE_NAME(Raw Source Name.MP)=20240223_BL_HEX-000754_Met_Pos_021; RAW_FILE_NAME(Raw Source Name.FN)=20240225_BL_HEX-000754_pFDG_Neg_021
SUBJECT_SAMPLE_FACTORS           	29_55_ATV Iso _high	HSA-000036732	condition:high | treatment:ATV Iso | Sample source:microglia	genotype=APP; RAW_FILE_NAME(Raw Source Name.LN)=20240223_BL_HEX-000754_Lipid_Neg_022; RAW_FILE_NAME(Raw Source Name.LP)=20240223_BL_HEX-000754_Lipid_Pos_022; RAW_FILE_NAME(Raw Source Name.MN)=20240225_BL_HEX-000754_Met_Neg_022; RAW_FILE_NAME(Raw Source Name.MP)=20240223_BL_HEX-000754_Met_Pos_022; RAW_FILE_NAME(Raw Source Name.FN)=20240225_BL_HEX-000754_pFDG_Neg_022
SUBJECT_SAMPLE_FACTORS           	23_69_ATV 4D9 _mid	HSA-000036726	condition:mid | treatment:ATV 4D9 | Sample source:microglia	genotype=APP; RAW_FILE_NAME(Raw Source Name.LN)=20240223_BL_HEX-000754_Lipid_Neg_023; RAW_FILE_NAME(Raw Source Name.LP)=20240223_BL_HEX-000754_Lipid_Pos_023; RAW_FILE_NAME(Raw Source Name.MN)=20240225_BL_HEX-000754_Met_Neg_023; RAW_FILE_NAME(Raw Source Name.MP)=20240223_BL_HEX-000754_Met_Pos_023; RAW_FILE_NAME(Raw Source Name.FN)=20240225_BL_HEX-000754_pFDG_Neg_023
SUBJECT_SAMPLE_FACTORS           	20_65_ATV 4D9 _mid	HSA-000036723	condition:mid | treatment:ATV 4D9 | Sample source:microglia	genotype=APP; RAW_FILE_NAME(Raw Source Name.LN)=20240223_BL_HEX-000754_Lipid_Neg_024; RAW_FILE_NAME(Raw Source Name.LP)=20240223_BL_HEX-000754_Lipid_Pos_024; RAW_FILE_NAME(Raw Source Name.MN)=20240225_BL_HEX-000754_Met_Neg_024; RAW_FILE_NAME(Raw Source Name.MP)=20240223_BL_HEX-000754_Met_Pos_024; RAW_FILE_NAME(Raw Source Name.FN)=20240225_BL_HEX-000754_pFDG_Neg_024
SUBJECT_SAMPLE_FACTORS           	21_66_ATV Iso _mid	HSA-000036724	condition:mid | treatment:ATV Iso | Sample source:microglia	genotype=APP; RAW_FILE_NAME(Raw Source Name.LN)=20240223_BL_HEX-000754_Lipid_Neg_025; RAW_FILE_NAME(Raw Source Name.LP)=20240223_BL_HEX-000754_Lipid_Pos_025; RAW_FILE_NAME(Raw Source Name.MN)=20240225_BL_HEX-000754_Met_Neg_025; RAW_FILE_NAME(Raw Source Name.MP)=20240223_BL_HEX-000754_Met_Pos_025; RAW_FILE_NAME(Raw Source Name.FN)=20240225_BL_HEX-000754_pFDG_Neg_025
SUBJECT_SAMPLE_FACTORS           	28_54_ATV 4D9 _high	HSA-000036731	condition:high | treatment:ATV 4D9 | Sample source:microglia	genotype=APP; RAW_FILE_NAME(Raw Source Name.LN)=20240223_BL_HEX-000754_Lipid_Neg_026; RAW_FILE_NAME(Raw Source Name.LP)=20240223_BL_HEX-000754_Lipid_Pos_026; RAW_FILE_NAME(Raw Source Name.MN)=20240225_BL_HEX-000754_Met_Neg_026; RAW_FILE_NAME(Raw Source Name.MP)=20240223_BL_HEX-000754_Met_Pos_026; RAW_FILE_NAME(Raw Source Name.FN)=20240225_BL_HEX-000754_pFDG_Neg_026
SUBJECT_SAMPLE_FACTORS           	4_54_ATV 4D9 _low	HSA-000036707	condition:low | treatment:ATV 4D9 | Sample source:microglia	genotype=APP; RAW_FILE_NAME(Raw Source Name.LN)=20240223_BL_HEX-000754_Lipid_Neg_027; RAW_FILE_NAME(Raw Source Name.LP)=20240223_BL_HEX-000754_Lipid_Pos_027; RAW_FILE_NAME(Raw Source Name.MN)=20240225_BL_HEX-000754_Met_Neg_027; RAW_FILE_NAME(Raw Source Name.MP)=20240223_BL_HEX-000754_Met_Pos_027; RAW_FILE_NAME(Raw Source Name.FN)=20240225_BL_HEX-000754_pFDG_Neg_027
SUBJECT_SAMPLE_FACTORS           	24_70_ATV Iso _mid	HSA-000036727	condition:mid | treatment:ATV Iso | Sample source:microglia	genotype=APP; RAW_FILE_NAME(Raw Source Name.LN)=20240223_BL_HEX-000754_Lipid_Neg_028; RAW_FILE_NAME(Raw Source Name.LP)=20240223_BL_HEX-000754_Lipid_Pos_028; RAW_FILE_NAME(Raw Source Name.MN)=20240225_BL_HEX-000754_Met_Neg_028; RAW_FILE_NAME(Raw Source Name.MP)=20240223_BL_HEX-000754_Met_Pos_028; RAW_FILE_NAME(Raw Source Name.FN)=20240225_BL_HEX-000754_pFDG_Neg_028
SUBJECT_SAMPLE_FACTORS           	35_69_ATV 4D9 _high	HSA-000036738	condition:high | treatment:ATV 4D9 | Sample source:microglia	genotype=APP; RAW_FILE_NAME(Raw Source Name.LN)=20240223_BL_HEX-000754_Lipid_Neg_029; RAW_FILE_NAME(Raw Source Name.LP)=20240223_BL_HEX-000754_Lipid_Pos_029; RAW_FILE_NAME(Raw Source Name.MN)=20240225_BL_HEX-000754_Met_Neg_029; RAW_FILE_NAME(Raw Source Name.MP)=20240223_BL_HEX-000754_Met_Pos_029; RAW_FILE_NAME(Raw Source Name.FN)=20240225_BL_HEX-000754_pFDG_Neg_029
SUBJECT_SAMPLE_FACTORS           	10_68_ATV Iso _low	HSA-000036713	condition:low | treatment:ATV Iso | Sample source:microglia	genotype=APP; RAW_FILE_NAME(Raw Source Name.LN)=20240223_BL_HEX-000754_Lipid_Neg_030; RAW_FILE_NAME(Raw Source Name.LP)=20240223_BL_HEX-000754_Lipid_Pos_030; RAW_FILE_NAME(Raw Source Name.MN)=20240225_BL_HEX-000754_Met_Neg_030; RAW_FILE_NAME(Raw Source Name.MP)=20240223_BL_HEX-000754_Met_Pos_030; RAW_FILE_NAME(Raw Source Name.FN)=20240225_BL_HEX-000754_pFDG_Neg_030
SUBJECT_SAMPLE_FACTORS           	30_56_ATV 4D9 _high	HSA-000036733	condition:high | treatment:ATV 4D9 | Sample source:microglia	genotype=APP; RAW_FILE_NAME(Raw Source Name.LN)=20240223_BL_HEX-000754_Lipid_Neg_031; RAW_FILE_NAME(Raw Source Name.LP)=20240223_BL_HEX-000754_Lipid_Pos_031; RAW_FILE_NAME(Raw Source Name.MN)=20240225_BL_HEX-000754_Met_Neg_031; RAW_FILE_NAME(Raw Source Name.MP)=20240223_BL_HEX-000754_Met_Pos_031; RAW_FILE_NAME(Raw Source Name.FN)=20240225_BL_HEX-000754_pFDG_Neg_031
SUBJECT_SAMPLE_FACTORS           	26_52_ATV 4D9 _high	HSA-000036729	condition:high | treatment:ATV 4D9 | Sample source:microglia	genotype=APP; RAW_FILE_NAME(Raw Source Name.LN)=20240223_BL_HEX-000754_Lipid_Neg_032; RAW_FILE_NAME(Raw Source Name.LP)=20240223_BL_HEX-000754_Lipid_Pos_032; RAW_FILE_NAME(Raw Source Name.MN)=20240225_BL_HEX-000754_Met_Neg_032; RAW_FILE_NAME(Raw Source Name.MP)=20240223_BL_HEX-000754_Met_Pos_032; RAW_FILE_NAME(Raw Source Name.FN)=20240225_BL_HEX-000754_pFDG_Neg_032
SUBJECT_SAMPLE_FACTORS           	11_69_ATV 4D9 _low	HSA-000036714	condition:low | treatment:ATV 4D9 | Sample source:microglia	genotype=APP; RAW_FILE_NAME(Raw Source Name.LN)=20240223_BL_HEX-000754_Lipid_Neg_033; RAW_FILE_NAME(Raw Source Name.LP)=20240223_BL_HEX-000754_Lipid_Pos_033; RAW_FILE_NAME(Raw Source Name.MN)=20240225_BL_HEX-000754_Met_Neg_033; RAW_FILE_NAME(Raw Source Name.MP)=20240223_BL_HEX-000754_Met_Pos_033; RAW_FILE_NAME(Raw Source Name.FN)=20240225_BL_HEX-000754_pFDG_Neg_033
SUBJECT_SAMPLE_FACTORS           	5_55_ATV Iso _low	HSA-000036708	condition:low | treatment:ATV Iso | Sample source:microglia	genotype=APP; RAW_FILE_NAME(Raw Source Name.LN)=20240223_BL_HEX-000754_Lipid_Neg_034; RAW_FILE_NAME(Raw Source Name.LP)=20240223_BL_HEX-000754_Lipid_Pos_034; RAW_FILE_NAME(Raw Source Name.MN)=20240225_BL_HEX-000754_Met_Neg_034; RAW_FILE_NAME(Raw Source Name.MP)=20240223_BL_HEX-000754_Met_Pos_034; RAW_FILE_NAME(Raw Source Name.FN)=20240225_BL_HEX-000754_pFDG_Neg_034
SUBJECT_SAMPLE_FACTORS           	32_65_ATV 4D9 _high	HSA-000036735	condition:high | treatment:ATV 4D9 | Sample source:microglia	genotype=APP; RAW_FILE_NAME(Raw Source Name.LN)=20240223_BL_HEX-000754_Lipid_Neg_035; RAW_FILE_NAME(Raw Source Name.LP)=20240223_BL_HEX-000754_Lipid_Pos_035; RAW_FILE_NAME(Raw Source Name.MN)=20240225_BL_HEX-000754_Met_Neg_035; RAW_FILE_NAME(Raw Source Name.MP)=20240223_BL_HEX-000754_Met_Pos_035; RAW_FILE_NAME(Raw Source Name.FN)=20240225_BL_HEX-000754_pFDG_Neg_035
SUBJECT_SAMPLE_FACTORS           	17_55_ATV Iso _mid	HSA-000036720	condition:mid | treatment:ATV Iso | Sample source:microglia	genotype=APP; RAW_FILE_NAME(Raw Source Name.LN)=20240223_BL_HEX-000754_Lipid_Neg_036; RAW_FILE_NAME(Raw Source Name.LP)=20240223_BL_HEX-000754_Lipid_Pos_036; RAW_FILE_NAME(Raw Source Name.MN)=20240225_BL_HEX-000754_Met_Neg_036; RAW_FILE_NAME(Raw Source Name.MP)=20240223_BL_HEX-000754_Met_Pos_036; RAW_FILE_NAME(Raw Source Name.FN)=20240225_BL_HEX-000754_pFDG_Neg_036
SUBJECT_SAMPLE_FACTORS           	22_68_ATV Iso _mid	HSA-000036725	condition:mid | treatment:ATV Iso | Sample source:microglia	genotype=APP; RAW_FILE_NAME(Raw Source Name.LN)=20240223_BL_HEX-000754_Lipid_Neg_037; RAW_FILE_NAME(Raw Source Name.LP)=20240223_BL_HEX-000754_Lipid_Pos_037; RAW_FILE_NAME(Raw Source Name.MN)=20240225_BL_HEX-000754_Met_Neg_037; RAW_FILE_NAME(Raw Source Name.MP)=20240223_BL_HEX-000754_Met_Pos_037; RAW_FILE_NAME(Raw Source Name.FN)=20240225_BL_HEX-000754_pFDG_Neg_037
SUBJECT_SAMPLE_FACTORS           	1_51_ATV Iso _low	HSA-000036704	condition:low | treatment:ATV Iso | Sample source:microglia	genotype=APP; RAW_FILE_NAME(Raw Source Name.LN)=20240223_BL_HEX-000754_Lipid_Neg_038; RAW_FILE_NAME(Raw Source Name.LP)=20240223_BL_HEX-000754_Lipid_Pos_038; RAW_FILE_NAME(Raw Source Name.MN)=20240225_BL_HEX-000754_Met_Neg_038; RAW_FILE_NAME(Raw Source Name.MP)=20240223_BL_HEX-000754_Met_Pos_038; RAW_FILE_NAME(Raw Source Name.FN)=20240225_BL_HEX-000754_pFDG_Neg_038
SUBJECT_SAMPLE_FACTORS           	14_52_ATV 4D9 _mid	HSA-000036717	condition:mid | treatment:ATV 4D9 | Sample source:microglia	genotype=APP; RAW_FILE_NAME(Raw Source Name.LN)=20240223_BL_HEX-000754_Lipid_Neg_039; RAW_FILE_NAME(Raw Source Name.LP)=20240223_BL_HEX-000754_Lipid_Pos_039; RAW_FILE_NAME(Raw Source Name.MN)=20240225_BL_HEX-000754_Met_Neg_039; RAW_FILE_NAME(Raw Source Name.MP)=20240223_BL_HEX-000754_Met_Pos_039; RAW_FILE_NAME(Raw Source Name.FN)=20240225_BL_HEX-000754_pFDG_Neg_039
SUBJECT_SAMPLE_FACTORS           	Pool_3	HSA-000037078	condition:NA | treatment:NA | Sample source:microglia	genotype=APP; RAW_FILE_NAME(Raw Source Name.LN)=20240223_BL_HEX-000754_Lipid_Neg_040; RAW_FILE_NAME(Raw Source Name.LP)=20240223_BL_HEX-000754_Lipid_Pos_040; RAW_FILE_NAME(Raw Source Name.MN)=20240225_BL_HEX-000754_Met_Neg_040; RAW_FILE_NAME(Raw Source Name.MP)=20240223_BL_HEX-000754_Met_Pos_040; RAW_FILE_NAME(Raw Source Name.FN)=20240225_BL_HEX-000754_pFDG_Neg_040
#COLLECTION
CO:COLLECTION_SUMMARY            	Microglia isolation was performed using the Magnetic-activated cell sorting
CO:COLLECTION_SUMMARY            	(MACS) system (Miltenyi Biotec). No CD11b enrichment step was performed as the
CO:COLLECTION_SUMMARY            	intrinsic mKate2 reporter is only expressed in TREM2 expressing (microglia)
CO:COLLECTION_SUMMARY            	cells. Hence, fluorescence-activated cell sorting was performed based on
CO:COLLECTION_SUMMARY            	fluorescent TREM2 reporter expression, enabling analysis of low-, mid-, and
CO:COLLECTION_SUMMARY            	high-expressing TREM2 subpopulations from the same mouse.
CO:SAMPLE_TYPE                   	microglia
CO:STORAGE_CONDITIONS            	-80℃
#TREATMENT
TR:TREATMENT_SUMMARY             	Mice were treated with TREM2 agonist antibody (4D9) engineered to cross the
TR:TREATMENT_SUMMARY             	blood brain barrier using an antibody transport vehicle (ATV:4D9). To determine
TR:TREATMENT_SUMMARY             	the effect of this brain-penetrant antibody on microglial subpopulations
TR:TREATMENT_SUMMARY             	stratified by TREM2 expression levels, mice were dosed monthly with 1 mg/kg
TR:TREATMENT_SUMMARY             	ATV:4D9 or isotype control (ATV:Iso) for 4 months. In addition, 30 mg/kg of
TR:TREATMENT_SUMMARY             	fluorodeoxyglucose (FDG) was dosed 1 hour before animal takedown to enable
TR:TREATMENT_SUMMARY             	detection of FDG-monophosphate (FDG-MP) in sorted microglia.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Pellets from the sorted subpopulations were reconstituted on ice in 9:1
SP:SAMPLEPREP_SUMMARY            	MeOH:water including internal standards, vortexed for 1 minute, and spun down
SP:SAMPLEPREP_SUMMARY            	for 5 minutes at 10,000 g. Supernatant was transferred to glass vial for
SP:SAMPLEPREP_SUMMARY            	analysis by LC-MS.
#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                   	5500 V; temperature at 600°C; ion source Gas 1 at 50 psi; ion source Gas 2 at
MS:MS_COMMENTS                   	60 psi; entrance potential at 10 V; and  collision cell exit potential at 12.5
MS:MS_COMMENTS                   	V.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	normalized peak area
MS_METABOLITE_DATA_START
Samples	HSA-000036704	HSA-000036705	HSA-000036706	HSA-000036707	HSA-000036708	HSA-000036709	HSA-000036710	HSA-000036711	HSA-000036712	HSA-000036713	HSA-000036714	HSA-000036715	HSA-000036716	HSA-000036717	HSA-000036718	HSA-000036719	HSA-000036720	HSA-000036721	HSA-000036722	HSA-000036723	HSA-000036724	HSA-000036725	HSA-000036726	HSA-000036727	HSA-000036728	HSA-000036729	HSA-000036730	HSA-000036731	HSA-000036732	HSA-000036733	HSA-000036734	HSA-000036735	HSA-000036736	HSA-000036737	HSA-000036738	HSA-000036739	HSA-000036740	HSA-000037077	HSA-000037078
Factors	condition:low | treatment:ATV Iso | Sample source:microglia	condition:low | treatment:ATV 4D9 | Sample source:microglia	condition:low | treatment:ATV Iso | Sample source:microglia	condition:low | treatment:ATV 4D9 | Sample source:microglia	condition:low | treatment:ATV Iso | Sample source:microglia	condition:low | treatment:ATV 4D9 | Sample source:microglia	condition:low | treatment:ATV 4D9 | Sample source:microglia	condition:low | treatment:ATV 4D9 | Sample source:microglia	condition:low | treatment:ATV Iso | Sample source:microglia	condition:low | treatment:ATV Iso | Sample source:microglia	condition:low | treatment:ATV 4D9 | Sample source:microglia	condition:low | treatment:ATV Iso | Sample source:microglia	condition:mid | treatment:ATV Iso | Sample source:microglia	condition:mid | treatment:ATV 4D9 | Sample source:microglia	condition:mid | treatment:ATV Iso | Sample source:microglia	condition:mid | treatment:ATV 4D9 | Sample source:microglia	condition:mid | treatment:ATV Iso | Sample source:microglia	condition:mid | treatment:ATV 4D9 | Sample source:microglia	condition:mid | treatment:ATV 4D9 | Sample source:microglia	condition:mid | treatment:ATV 4D9 | Sample source:microglia	condition:mid | treatment:ATV Iso | Sample source:microglia	condition:mid | treatment:ATV Iso | Sample source:microglia	condition:mid | treatment:ATV 4D9 | Sample source:microglia	condition:mid | treatment:ATV Iso | Sample source:microglia	condition:high | treatment:ATV Iso | Sample source:microglia	condition:high | treatment:ATV 4D9 | Sample source:microglia	condition:high | treatment:ATV Iso | Sample source:microglia	condition:high | treatment:ATV 4D9 | Sample source:microglia	condition:high | treatment:ATV Iso | Sample source:microglia	condition:high | treatment:ATV 4D9 | Sample source:microglia	condition:high | treatment:ATV 4D9 | Sample source:microglia	condition:high | treatment:ATV 4D9 | Sample source:microglia	condition:high | treatment:ATV Iso | Sample source:microglia	condition:high | treatment:ATV Iso | Sample source:microglia	condition:high | treatment:ATV 4D9 | Sample source:microglia	condition:high | treatment:ATV Iso | Sample source:microglia	condition:NA | treatment:NA | Sample source:microglia	condition:NA | treatment:NA | Sample source:microglia	condition:NA | treatment:NA | Sample source:microglia
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.
1-Methylhistidine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
1-Methylnicotinamide	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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-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.
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.
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.
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.
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.
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.
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.
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.
3-Hydroxy-N6,N6,N6-Trimethyllysine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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-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.
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.
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.
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.
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.
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.
4-Hydroxyproline	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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-Trimethylammoniobutanal	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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'-Methylthioadenosine	0.001	0.003	0.002	0.002	0.001	0.001	N.D.	0.003	0.003	0.003	0.003	0.003	0.02	0.011	0.022	0.036	0.024	0.032	N.D.	0.018	0.026	0.014	0.026	N.D.	0.03	0.015	0.036	0.037	0.046	0.006	N.D.	0.042	0.025	0.045	0.041	0.025	0.023	0.023	0.023
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.
5-Hydroxyindoleacetic 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.
5-Hydroxytryptophan	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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.
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.
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.
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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
7-Methylguanosine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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.
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.
7-alpha-Hydroxy-3-oxo-4-cholestenoate	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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.
8-Hydroxyguanosine	0.11	0.064	0.114	0.104	0.214	0.118	0.081	0.05	0.057	0.076	0.044	0.062	0.099	0.063	0.334	0.149	0.132	0.169	0.809	0.071	0.087	0.047	0.052	0.318	0.069	0.057	0.095	0.089	0.16	0.195	0.472	0.048	0.051	0.06	0.062	0.06	0.067	0.056	0.057
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.
9-Hexadecenoylcarnitine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
AICA-riboside	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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	0	0.002	0.002	0.002	0.001	0.001	0	0.002	0.003	0.003	0.003	0.003	0.003	0.002	0.004	0.004	0.003	0.004	0	0.003	0.004	0.002	0.004	0	0.004	0.002	0.004	0.005	0.004	0.001	0	0.006	0.005	0.006	0.007	0.005	0.004	0.003	0.003
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.
Adenine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Adenosine	0.02	0.013	0.02	0.018	0.044	0.015	0.01	0.015	0.019	0.015	0.017	0.022	0.021	0.014	0.03	0.018	0.023	0.016	0.01	0.011	0.014	0.013	0.016	0.006	0.024	0.013	0.023	0.038	0.017	0.042	0.009	0.02	0.017	0.014	0.013	0.022	0.026	0.025	0.025
Adenosine diphosphate ribose	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Adenosylcobalamin	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Alanine	0.034	0.045	0.037	0.023	0.038	0.044	0.038	0.026	0.025	0.034	0.039	0.038	0.116	0.193	0.053	0.063	0.071	0.047	0.016	0.093	0.093	0.114	0.059	0.019	0.09	0.184	0.132	0.179	0.097	0.036	0.022	0.089	0.174	0.157	0.116	0.147	0.092	0.101	0.122
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.
Arabitol	0.018	0.015	0.019	0.017	0.019	0.022	0.018	0.018	0.02	0.017	0.02	0.018	0.019	0.025	0.021	0.018	0.016	0.019	0.018	0.017	0.019	0.018	0.016	0.02	0.018	0.018	0.016	0.02	0.016	0.023	0.016	0.019	0.017	0.017	0.016	0.021	0.018	0.017	0.02
Arginine	0.01	0.013	0.026	0.014	0.014	0.025	0.011	0.011	0.018	0.013	0.02	0.013	0.037	0.015	0.045	0.02	0.026	0.024	0.01	0.017	0.014	0.013	0.017	0.006	0.02	0.012	0.034	0.017	0.019	0.008	0.018	0.02	0.033	0.025	0.021	0.024	0.052	0.02	0.018
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.
Ascorbate	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Asparagine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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.
Asymmetric dimethylarginine	0.256	0.447	0.882	0.559	0.513	0.525	0.418	0.328	0.503	0.637	0.565	0.837	1.461	0.763	1.462	0.627	0.868	1.25	0.31	0.906	0.937	0.353	0.494	0.229	0.827	0.727	1.594	0.797	0.864	0.459	0.635	0.937	1.479	0.986	1.068	0.76	2.022	0.602	0.998
Betaine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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.
Bilirubin	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Butyrobetaine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Butyrylcarnitine	0	0.001	0.001	0	0.001	0.001	0.001	0	0.001	0.001	0.001	0.001	0.002	0.001	0.004	0.003	0.002	0.003	N.D.	0.002	0.002	0.001	0.002	0	0.003	0.001	0.004	0.003	0.002	0.001	0	0.003	0.002	0.003	0.003	0.003	0.002	0.001	0.002
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.
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.
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.
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.
Carnitine	0.003	0.01	0.013	0.008	0.007	0.006	0.005	0.007	0.009	0.008	0.011	0.011	0.015	0.008	0.02	0.013	0.012	0.016	0.004	0.011	0.011	0.005	0.01	0.002	0.013	0.005	0.014	0.012	0.011	0.003	0.006	0.013	0.012	0.012	0.011	0.013	0.014	0.011	0.008
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.
Choline	0.003	0.007	0.008	0.006	0.005	0.003	0.001	0.004	0.003	0.005	0.009	0.007	0.012	0.032	0.009	0.013	0.006	0.015	0.001	0.033	0.035	0.009	0.007	0	0.018	0.024	0.019	0.022	0.018	0.003	0.001	0.028	0.033	0.011	0.025	0.038	0.027	0.029	0.028
Citrulline	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
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.
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.
Creatine	0.466	1.311	2.033	2.062	2.393	0.487	0.124	0.925	1.604	1.248	2.157	1.855	1.672	1.119	1.816	2.171	1.472	1.533	0.111	1.694	1.578	1.046	1.886	0.052	2.204	1.126	2.586	3.885	2.3	0.46	0.189	1.969	2.108	1.923	3.356	2.522	1.656	2.061	2.095
Creatinine	0.188	0.293	0.696	0.235	0.601	0.821	0.439	0.208	0.321	0.169	0.146	0.215	0.636	0.087	2.285	1.109	0.35	1.466	3.93	0.52	0.318	0.114	0.193	0.923	0.405	0.133	0.401	0.406	0.754	0.46	3.481	0.124	0.452	0.581	0.213	0.273	0.333	0.263	0.105
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.
Curcumin	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Cyanocobalamin	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Cysteine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Cysteinylglycine	0.013	0.017	0.013	0.015	0.016	0.019	0.022	0.012	0.014	0.015	0.016	0.016	0.018	0.015	0.019	0.021	0.017	0.018	0.017	0.018	0.018	0.016	0.013	0.022	0.018	0.021	0.018	0.017	0.022	0.019	0.018	0.014	0.018	0.016	0.013	0.017	0.021	0.02	0.018
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.
Cytosine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
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.
Decanoylcarnitine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Demethoxycurcumin	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
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.
Deoxyinosine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Dimethylethanolamine	0.23	0.192	0.159	0.181	0.498	0.127	0.668	0.313	0.339	0.571	0.282	0.268	0.563	0.299	1.226	1.12	1.252	2.207	7.288	0.499	0.299	0.171	0.142	2.186	0.491	0.375	0.333	0.499	1.319	2.069	1.86	0.112	0.166	0.101	0.287	0.184	0.31	0.331	0.302
Dimethylglycine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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.
Dopa	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Dopamine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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.
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.
Epinephrine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Ergothioneine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Ethanolamine	0.011	0.014	0.007	0.005	0.005	0.004	0.008	0.01	0.012	0.01	0.003	0.004	0.004	N.D.	0.011	0.007	0.013	0.007	0.007	0.015	0.011	0.009	0.006	0.006	0.013	0.008	0.006	0.007	0.013	0.003	0.01	0.015	0.005	0.013	0.008	0.013	0.011	0.008	0.012
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.
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.
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.
Glucose	0.436	0.337	0.165	0.186	0.224	0.385	0.716	0.245	0.269	0.285	0.272	0.293	0.243	0.37	0.192	0.223	0.295	0.205	0.514	0.276	0.236	0.377	0.249	0.777	0.239	0.255	0.184	0.23	0.192	0.453	0.501	0.249	0.28	0.204	0.296	0.327	0.299	0.281	0.377
Glutamic acid	0.395	0.66	0.62	0.564	0.552	0.62	0.621	0.337	0.49	0.551	0.438	0.507	0.496	0.551	0.615	0.77	0.849	0.666	0.387	0.566	0.671	0.457	0.703	0.312	0.67	0.369	0.642	0.703	0.78	0.367	0.379	0.868	0.78	0.769	0.953	0.784	0.631	0.712	1.137
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.
Glutamine	80.425	56.745	40.482	41.95	46.272	68.997	115.191	48.151	38.808	58.714	37.657	48.527	36.065	54.192	41.276	51.83	45.554	46.977	74.602	48.183	45.871	50.167	49.819	71.899	49.919	47.117	40.227	49.633	31.872	52.207	66.266	45.971	54.333	48.864	46.053	53.92	46.655	55.729	75.294
Glutathione	0.079	0.025	0.068	0.044	0.027	0.012	0.023	N.D.	0.032	0.032	0.077	0.033	0.108	0.085	0.222	0.21	0.059	0.212	N.D.	0.173	0.198	0.108	0.154	0.025	0.282	0.093	0.204	0.278	0.178	0.024	0.037	0.393	0.253	0.24	0.424	0.186	0.126	0.138	0.217
Glutathione disulfide	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Glutathione-(glycine-13C2,15N)	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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	5.471	22.822	27.354	18.699	14.377	6.284	6.521	16.916	18.132	29.992	26.103	33.919	132.838	78.305	188.878	207.977	167.853	243.159	3.654	161.835	134.426	93.426	168.377	2.475	200.458	59.519	279.578	215.659	210.37	23.189	5.204	203.99	231.558	187.256	262.319	150.701	120.052	99.732	125.795
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.
Guanine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Guanosine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Hexanoylcarnitine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Histidine	0.012	0.009	0.032	0.011	0.017	0.026	0.019	0.01	0.021	0.031	0.03	0.013	0.057	0.016	0.058	0.014	0.02	0.018	0.013	0.013	0.017	0.013	0.015	0.009	0.018	0.008	0.029	0.011	0.012	0.011	0.022	0.013	0.028	0.016	0.016	0.033	0.081	0.014	0.014
Homocysteine	0.104	0.121	0.109	0.124	0.115	0.099	0.104	0.11	0.107	0.117	0.105	0.116	0.113	0.142	0.109	0.113	0.112	0.121	0.108	0.107	0.12	0.116	0.116	0.102	0.111	0.11	0.11	0.122	0.105	0.108	0.103	0.125	0.112	0.097	0.113	0.118	0.107	0.113	0.115
Homoserine	0.402	0.95	1	0.78	0.372	0.893	0.519	0.429	0.575	1.424	0.741	0.891	0.885	0.461	0.752	0.62	0.539	1.002	0.562	0.778	0.519	0.343	0.516	0.399	0.771	0.424	0.645	0.515	0.445	0.395	0.791	0.497	1.083	0.556	0.757	0.497	0.927	0.56	0.611
Hydroxybutyrylcarnitine	N.D.	N.D.	N.D.	0.001	0.001	N.D.	N.D.	N.D.	0.001	0.001	N.D.	0	0.002	N.D.	0.002	0.003	0.002	0.002	N.D.	0.002	0.001	0.001	0.002	N.D.	0.003	0.001	0.004	0.005	0.004	0.001	N.D.	0.003	0.002	0.003	0.004	0.002	0.002	0.001	0.002
Hydroxyhexanoylcarnitine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Hydroxyisovaleroyl carnitine	N.D.	0.001	0.002	0.001	N.D.	N.D.	N.D.	0.001	0.002	0.001	0.002	0.002	0.002	0.002	0.003	0.004	0.001	0.003	0	0.004	0.003	0.001	0.004	N.D.	0.004	0.002	0.005	0.004	0.003	0.001	N.D.	0.004	0.004	0.004	0.005	0.003	0.002	0.001	0.001
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.
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.
Imidazoleacetic acid	0.465	0.376	0.354	0.457	0.399	0.443	0.417	0.325	0.329	0.334	0.42	0.326	0.323	0.32	0.329	0.33	0.391	0.405	0.364	0.34	0.27	0.387	0.345	0.465	0.332	0.353	0.401	0.329	0.366	0.435	0.366	0.376	0.469	0.368	0.305	0.32	0.328	0.327	0.402
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.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Inosine	0.012	0.011	0.04	0.021	0.026	0.015	0.005	0.005	0.015	0.02	0.021	0.022	0.015	0.003	0.035	0.013	0.037	0.016	N.D.	0.006	0.014	0.006	N.D.	N.D.	0.008	0.006	0.028	0.019	0.019	0.013	N.D.	0.01	0.007	0.008	0.016	0.008	0.013	0.015	0.013
Isovalerylcarnitine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
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.
Kynurenic acid	0.016	0.012	0.019	0.008	0.081	0.017	0.018	0.011	0.008	0.01	0.014	0.012	0.02	0.013	0.065	0.019	0.037	0.025	0.177	0.012	0.015	0.008	0.011	0.054	0.013	0.019	0.015	0.019	0.031	0.033	0.062	0.009	0.005	0.011	0.011	0.006	0.009	0.008	0.012
Kynurenine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
LPC(18:1(d7))	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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-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.
Linoleyl carnitine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Lysine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Mannitol	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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	0.198	0.125	0.089	0.085	0.107	0.173	0.359	0.12	0.093	0.13	0.132	0.105	0.097	0.134	0.097	0.118	0.132	0.098	0.217	0.12	0.105	0.172	0.113	0.32	0.112	0.111	0.095	0.09	0.077	0.184	0.242	0.119	0.128	0.099	0.114	0.131	0.119	0.126	0.111
Melatonin	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Methionine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Methionine S-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.
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.
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.
Myristoylcarnitine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Myristoylcarnitine-d9	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.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-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-Acetylaspartic acid	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
N-Acetylcysteine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.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-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-Acetylputrescine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.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	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.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.
N1-Acetylspermidine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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-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.
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.
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.
N1-N8-Diacetylspermidine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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-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.
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.
N6,N6,N6-Trimethyllysine	N.D.	0.002	0.002	0	0	0.001	0	0.001	0.001	0.001	N.D.	0.001	0.003	N.D.	0.002	0.001	N.D.	0.001	N.D.	N.D.	N.D.	N.D.	0	N.D.	0.001	0	0.001	0.001	0.001	0	N.D.	0.001	0.002	0.001	N.D.	0.001	0.003	0.001	0
NAD	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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	0	0.001	0.001	0.001	0.001	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	0.002	0.001	0.001	0	0.002	0.001	0.001	0.002	0.001	0.001	0	0.001	0.001	0.001	0.001	0.001	0.001	0.001	0.001
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.
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.
Nicotinamide riboside	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Nicotinic acid	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
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.
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.
Norepinephrine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Octanoylcarnitine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Octanoylcarnitine-d3	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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-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.
Palmitoylcarnitine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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-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.
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.
Phenylalanine	0.011	0.015	0.017	0.016	0.021	0.011	0.012	0.012	0.018	0.023	0.019	0.011	0.018	0.011	0.018	0.012	0.014	0.018	0.007	0.008	0.02	0.007	0.011	0.007	0.01	0.007	0.013	0.012	0.011	0.008	0.01	0.009	0.017	0.012	0.012	0.011	0.019	0.015	0.013
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.
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.
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.
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.
Proline	0.027	0.058	0.069	0.042	0.047	0.052	0.03	0.034	0.033	0.073	0.095	0.034	0.119	0.049	0.118	0.098	0.127	0.12	0.015	0.085	0.071	0.055	0.075	0.056	0.13	0.053	0.17	0.178	0.147	0.028	0.03	0.063	0.115	0.104	0.187	0.075	0.102	0.094	0.086
Propionylcarnitine	0	0.004	0.004	0.003	0.003	0.003	0.001	0.002	0.005	0.005	0.01	0.004	0.009	0.004	0.009	0.01	0.007	0.01	0.001	0.008	0.008	0.004	0.009	0.001	0.013	0.004	0.011	0.013	0.009	0.003	0.002	0.008	0.008	0.01	0.014	0.006	0.008	0.006	0.006
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.
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.
Pyridoxamine	0.136	0.083	0.182	0.087	0.086	0.109	0.11	0.22	0.074	0.102	0.114	0.151	0.142	0.125	0.165	0.101	0.151	0.105	0.113	0.197	0.126	0.147	0.126	0.11	0.083	0.18	0.149	0.087	0.19	0.073	0.146	0.172	0.142	0.106	0.139	0.151	0.125	0.257	0.097
Pyroglutamic acid	0.14	0.332	0.227	0.227	0.317	0.669	0.631	0.232	0.158	0.538	2.239	0.113	0.7	0.483	0.269	0.362	0.593	0.659	0.301	0.677	0.412	0.389	0.367	0.226	0.495	0.666	0.532	0.43	0.693	0.71	0.363	0.172	1.3	0.14	1.068	1.052	0.692	0.748	0.828
S-Adenosylhomocysteine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
S-Adenosylmethionine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Sarcosine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Serine	0.521	0.752	1.378	0.938	0.985	0.666	0.748	0.531	1.071	3.908	2.065	0.719	1.302	0.896	1.004	0.8	2.091	1.77	0.305	0.93	1.2	0.502	0.879	0.355	1.015	0.659	1.079	1.023	0.928	0.469	0.663	0.818	1.719	0.414	2.138	0.468	1.576	0.882	1.687
Serotonin	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
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.
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.
Stearoylcarnitine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Sucrose	0.483	0.082	0.097	0.064	0.076	0.085	0.07	0.06	0.089	0.094	0.353	0.051	0.153	0.107	0.149	0.092	0.582	0.164	0.06	0.067	0.056	0.071	0.054	0.104	0.1	0.073	0.15	0.067	0.099	0.126	0.044	0.049	0.117	0.048	0.096	0.145	0.112	0.118	0.157
Taurine	5.918	7.956	6.194	5.378	4.897	6.894	5.808	7.919	8.556	8.7	7.023	9.841	5.941	14.428	4.98	5.147	4.869	5.46	4.832	5.45	7.362	7.356	6.68	4.808	6.132	7.584	6.45	5.459	5.698	4.954	4.927	7.176	10.224	9.009	7.789	10.94	9.294	8.048	6.682
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.
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.
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.
Thiamine	0.001	0	0.001	0.001	N.D.	0	0.001	N.D.	0.001	0.001	0.001	0.001	0.001	0	0.001	0.001	0.001	0.001	0.001	0.001	N.D.	0	0	N.D.	0.001	0	0.001	0.001	0.001	0.001	N.D.	0	0.001	0.001	0.001	0.001	0.001	0.001	0.002
Threonine	0.249	0.51	0.261	0.125	0.218	0.35	0.276	0.227	0.28	0.481	0.174	0.319	0.322	0.128	0.448	0.311	0.258	0.335	0.296	0.373	0.336	0.252	0.138	0.106	0.239	0.126	0.392	0.129	0.151	0.111	0.336	0.213	0.51	0.246	0.332	0.235	0.274	0.299	0.26
Trigonelline	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Trimethylamine-N-oxide	0.102	0.109	0.105	0.107	0.092	0.106	0.101	0.112	0.106	0.096	0.108	0.115	0.103	0.104	0.099	0.095	0.101	0.103	0.082	0.1	0.101	0.106	0.104	0.087	0.093	0.089	0.097	0.09	0.094	0.103	0.079	0.102	0.098	0.106	0.105	0.1	0.099	0.098	0.101
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.
Tryptophan	0.001	0.002	0.003	0.003	0.004	0.002	0.001	0.001	0.003	0.004	0.003	0.002	0.002	0.002	0.002	0.002	0.004	0.003	N.D.	0.001	0.004	0.002	0.002	0.001	0.002	0.001	0.002	0.002	0.001	N.D.	0.001	0.001	0.002	0.001	0.002	0.002	0.003	0.003	0.002
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.
Uracil	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Ureidopropionic acid	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Uric acid	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Uridine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Valerobetaine	0.006	0.027	0.034	0.015	0.014	0.008	N.D.	0.01	0.017	0.012	0.034	0.031	0.021	0.037	0.068	0.058	0.047	0.063	0.089	0.025	0.033	0.014	0.068	N.D.	0.027	0.029	0.099	0.078	0.051	0.011	N.D.	0.031	0.037	0.034	0.11	0.073	0.039	0.046	0.039
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.
Valine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	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-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.
Xanthine	0.043	0.034	0.04	0.035	0.103	0.036	0.025	0.027	0.027	0.044	0.018	0.026	0.045	0.019	0.111	0.054	0.065	0.076	0.227	0.029	0.046	0.022	0.027	0.133	0.025	0.035	0.036	0.041	0.065	0.066	0.166	0.023	0.021	0.019	0.026	0.023	0.024	0.02	0.025
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.
alpha-Tocopherol	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
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.
gamma-Aminobutyric 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.
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