#METABOLOMICS WORKBENCH Jung_DNLI_20240919_115027 DATATRACK_ID:5207 STUDY_ID:ST003501 ANALYSIS_ID:AN005748 PROJECT_ID:PR002147
VERSION             	1
CREATED_ON             	September 26, 2024, 4:43 pm
#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                   	TREM2 expression level is critical for microglial state, metabolic capacity and
ST:STUDY_TITLE                   	efficacy of TREM2 agonism
ST:STUDY_SUMMARY                 	Triggering receptor expressed on myeloid cells 2 (TREM2) is a central regulator
ST:STUDY_SUMMARY                 	of microglial activity and sequence variants are major risk factors for late
ST:STUDY_SUMMARY                 	onset Alzheimer’s disease (LOAD). To better understand the molecular and
ST:STUDY_SUMMARY                 	functional changes associated with TREM2 signalling, we generated a TREM2
ST:STUDY_SUMMARY                 	reporter mouse model and observed a gradual upregulation of reporter expression
ST:STUDY_SUMMARY                 	with increasing plaque proximity. Isolated microglia were sorted based on
ST:STUDY_SUMMARY                 	reporter expression and their transcriptomic profiles acquired in both wildtype
ST:STUDY_SUMMARY                 	and APP transgenic animals, allowing us to disentangle TREM2 versus
ST:STUDY_SUMMARY                 	pathology-specific effects. Bulk RNA sequencing highlighted TREM2
ST:STUDY_SUMMARY                 	level-dependent changes in major immunometabolic pathways, with enrichment of
ST:STUDY_SUMMARY                 	genes in oxidative phosphorylation and cholesterol metabolism in microglia with
ST:STUDY_SUMMARY                 	increased TREM2 expression. To confirm these findings, we next analysed uptake
ST:STUDY_SUMMARY                 	of fluorodeoxyglucose (FDG) and examined metabolomic and lipidomic profiles.
ST:STUDY_SUMMARY                 	Again, independent of Aβ pathology, TREM2 expression correlated with uptake of
ST:STUDY_SUMMARY                 	FDG as well as increased cellular redox, energetics, and cholesterol
ST:STUDY_SUMMARY                 	homeostasis. Finally, we performed chronic treatment with a brain penetrant
ST:STUDY_SUMMARY                 	TREM2 agonist and identified a window of TREM2 expression where microglia are
ST:STUDY_SUMMARY                 	most responsive. Thus, our data provide novel insights into TREM2-mediated
ST:STUDY_SUMMARY                 	regulation of microglial metabolic function and informs current efforts to bring
ST:STUDY_SUMMARY                 	TREM2 agonists into clinical application.
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           	Pool_1	HSA-000019615	genotype:NA | condition:NA | group:NA | Sample source:microglia	RAW_FILE_NAME(Raw Source Name.LP)=20220209_BL_HEX-000330_Lipid_Pos_002; RAW_FILE_NAME(Raw Source Name.TG)=20220324_BL_HEX-000330_TGs_Pos_001; RAW_FILE_NAME(Raw Source Name.MP)=20220209_BL_HEX-000330_Met_Pos_002; RAW_FILE_NAME(Raw Source Name.MN)=20220211_BL_HEX-000330_Met_Neg_002
SUBJECT_SAMPLE_FACTORS           	2_59_mid_WT	HSA-000019571	genotype:WT | condition:mid | group:mid_healthy | Sample source:microglia	RAW_FILE_NAME(Raw Source Name.LP)=20220209_BL_HEX-000330_Lipid_Pos_003; RAW_FILE_NAME(Raw Source Name.TG)=20220324_BL_HEX-000330_TGs_Pos_009; RAW_FILE_NAME(Raw Source Name.MP)=20220209_BL_HEX-000330_Met_Pos_003; RAW_FILE_NAME(Raw Source Name.MN)=20220211_BL_HEX-000330_Met_Neg_003
SUBJECT_SAMPLE_FACTORS           	12_63_mid_WT	HSA-000019581	genotype:WT | condition:mid | group:mid_healthy | Sample source:microglia	RAW_FILE_NAME(Raw Source Name.LP)=20220209_BL_HEX-000330_Lipid_Pos_004; RAW_FILE_NAME(Raw Source Name.TG)=20220324_BL_HEX-000330_TGs_Pos_027; RAW_FILE_NAME(Raw Source Name.MP)=20220209_BL_HEX-000330_Met_Pos_004; RAW_FILE_NAME(Raw Source Name.MN)=20220211_BL_HEX-000330_Met_Neg_004
SUBJECT_SAMPLE_FACTORS           	24_78_low_APP	HSA-000019593	genotype:APP | condition:low | group:low_disease | Sample source:microglia	RAW_FILE_NAME(Raw Source Name.LP)=20220209_BL_HEX-000330_Lipid_Pos_005; RAW_FILE_NAME(Raw Source Name.TG)=20220324_BL_HEX-000330_TGs_Pos_017; RAW_FILE_NAME(Raw Source Name.MP)=20220209_BL_HEX-000330_Met_Pos_005; RAW_FILE_NAME(Raw Source Name.MN)=20220211_BL_HEX-000330_Met_Neg_005
SUBJECT_SAMPLE_FACTORS           	10_62_mid_WT	HSA-000019579	genotype:WT | condition:mid | group:mid_healthy | Sample source:microglia	RAW_FILE_NAME(Raw Source Name.LP)=20220209_BL_HEX-000330_Lipid_Pos_006; RAW_FILE_NAME(Raw Source Name.TG)=20220324_BL_HEX-000330_TGs_Pos_016; RAW_FILE_NAME(Raw Source Name.MP)=20220209_BL_HEX-000330_Met_Pos_006; RAW_FILE_NAME(Raw Source Name.MN)=20220211_BL_HEX-000330_Met_Neg_006
SUBJECT_SAMPLE_FACTORS           	15_69_low_WT	HSA-000019584	genotype:WT | condition:low | group:low_healthy | Sample source:microglia	RAW_FILE_NAME(Raw Source Name.LP)=20220209_BL_HEX-000330_Lipid_Pos_007; RAW_FILE_NAME(Raw Source Name.TG)=20220324_BL_HEX-000330_TGs_Pos_022; RAW_FILE_NAME(Raw Source Name.MP)=20220209_BL_HEX-000330_Met_Pos_007; RAW_FILE_NAME(Raw Source Name.MN)=20220211_BL_HEX-000330_Met_Neg_007
SUBJECT_SAMPLE_FACTORS           	25_78_mid_APP	HSA-000019594	genotype:APP | condition:mid | group:mid_disease | Sample source:microglia	RAW_FILE_NAME(Raw Source Name.LP)=20220209_BL_HEX-000330_Lipid_Pos_008; RAW_FILE_NAME(Raw Source Name.TG)=20220324_BL_HEX-000330_TGs_Pos_012; RAW_FILE_NAME(Raw Source Name.MP)=20220209_BL_HEX-000330_Met_Pos_008; RAW_FILE_NAME(Raw Source Name.MN)=20220211_BL_HEX-000330_Met_Neg_008
SUBJECT_SAMPLE_FACTORS           	18_74_mid_APP	HSA-000019587	genotype:APP | condition:mid | group:mid_disease | Sample source:microglia	RAW_FILE_NAME(Raw Source Name.LP)=20220209_BL_HEX-000330_Lipid_Pos_009; RAW_FILE_NAME(Raw Source Name.TG)=20220324_BL_HEX-000330_TGs_Pos_003; RAW_FILE_NAME(Raw Source Name.MP)=20220209_BL_HEX-000330_Met_Pos_009; RAW_FILE_NAME(Raw Source Name.MN)=20220211_BL_HEX-000330_Met_Neg_009
SUBJECT_SAMPLE_FACTORS           	17_74_low_APP	HSA-000019586	genotype:APP | condition:low | group:low_disease | Sample source:microglia	RAW_FILE_NAME(Raw Source Name.LP)=20220209_BL_HEX-000330_Lipid_Pos_010; RAW_FILE_NAME(Raw Source Name.TG)=20220324_BL_HEX-000330_TGs_Pos_004; RAW_FILE_NAME(Raw Source Name.MP)=20220209_BL_HEX-000330_Met_Pos_010; RAW_FILE_NAME(Raw Source Name.MN)=20220211_BL_HEX-000330_Met_Neg_010
SUBJECT_SAMPLE_FACTORS           	8_61_high_APP	HSA-000019577	genotype:APP | condition:high | group:high_disease | Sample source:microglia	RAW_FILE_NAME(Raw Source Name.LP)=20220209_BL_HEX-000330_Lipid_Pos_011; RAW_FILE_NAME(Raw Source Name.TG)=20220324_BL_HEX-000330_TGs_Pos_011; RAW_FILE_NAME(Raw Source Name.MP)=20220209_BL_HEX-000330_Met_Pos_011; RAW_FILE_NAME(Raw Source Name.MN)=20220211_BL_HEX-000330_Met_Neg_011
SUBJECT_SAMPLE_FACTORS           	21_76_mid_WT	HSA-000019590	genotype:WT | condition:mid | group:mid_healthy | Sample source:microglia	RAW_FILE_NAME(Raw Source Name.LP)=20220209_BL_HEX-000330_Lipid_Pos_012; RAW_FILE_NAME(Raw Source Name.TG)=20220324_BL_HEX-000330_TGs_Pos_020; RAW_FILE_NAME(Raw Source Name.MP)=20220209_BL_HEX-000330_Met_Pos_012; RAW_FILE_NAME(Raw Source Name.MN)=20220211_BL_HEX-000330_Met_Neg_012
SUBJECT_SAMPLE_FACTORS           	14_65_mid_WT	HSA-000019583	genotype:WT | condition:mid | group:mid_healthy | Sample source:microglia	RAW_FILE_NAME(Raw Source Name.LP)=20220209_BL_HEX-000330_Lipid_Pos_013; RAW_FILE_NAME(Raw Source Name.TG)=20220324_BL_HEX-000330_TGs_Pos_028; RAW_FILE_NAME(Raw Source Name.MP)=20220209_BL_HEX-000330_Met_Pos_013; RAW_FILE_NAME(Raw Source Name.MN)=20220211_BL_HEX-000330_Met_Neg_013
SUBJECT_SAMPLE_FACTORS           	7_61_mid_APP	HSA-000019576	genotype:APP | condition:mid | group:mid_disease | Sample source:microglia	RAW_FILE_NAME(Raw Source Name.LP)=20220209_BL_HEX-000330_Lipid_Pos_014; RAW_FILE_NAME(Raw Source Name.TG)=20220324_BL_HEX-000330_TGs_Pos_023; RAW_FILE_NAME(Raw Source Name.MP)=20220209_BL_HEX-000330_Met_Pos_014; RAW_FILE_NAME(Raw Source Name.MN)=20220211_BL_HEX-000330_Met_Neg_014
SUBJECT_SAMPLE_FACTORS           	1_59_low_WT	HSA-000019570	genotype:WT | condition:low | group:low_healthy | Sample source:microglia	RAW_FILE_NAME(Raw Source Name.LP)=20220209_BL_HEX-000330_Lipid_Pos_015; RAW_FILE_NAME(Raw Source Name.TG)=20220324_BL_HEX-000330_TGs_Pos_026; RAW_FILE_NAME(Raw Source Name.MP)=20220209_BL_HEX-000330_Met_Pos_015; RAW_FILE_NAME(Raw Source Name.MN)=20220211_BL_HEX-000330_Met_Neg_015
SUBJECT_SAMPLE_FACTORS           	5_60_high_APP	HSA-000019574	genotype:APP | condition:high | group:high_disease | Sample source:microglia	RAW_FILE_NAME(Raw Source Name.LP)=20220209_BL_HEX-000330_Lipid_Pos_016; RAW_FILE_NAME(Raw Source Name.TG)=20220324_BL_HEX-000330_TGs_Pos_007; RAW_FILE_NAME(Raw Source Name.MP)=20220209_BL_HEX-000330_Met_Pos_016; RAW_FILE_NAME(Raw Source Name.MN)=20220211_BL_HEX-000330_Met_Neg_016
SUBJECT_SAMPLE_FACTORS           	22_77_low_WT	HSA-000019591	genotype:WT | condition:low | group:low_healthy | Sample source:microglia	RAW_FILE_NAME(Raw Source Name.LP)=20220209_BL_HEX-000330_Lipid_Pos_017; RAW_FILE_NAME(Raw Source Name.TG)=20220324_BL_HEX-000330_TGs_Pos_010; RAW_FILE_NAME(Raw Source Name.MP)=20220209_BL_HEX-000330_Met_Pos_017; RAW_FILE_NAME(Raw Source Name.MN)=20220211_BL_HEX-000330_Met_Neg_017
SUBJECT_SAMPLE_FACTORS           	Pool_2	HSA-000019616	genotype:NA | condition:NA | group:NA | Sample source:microglia	RAW_FILE_NAME(Raw Source Name.LP)=20220209_BL_HEX-000330_Lipid_Pos_018; RAW_FILE_NAME(Raw Source Name.TG)=20220324_BL_HEX-000330_TGs_Pos_014; RAW_FILE_NAME(Raw Source Name.MP)=20220209_BL_HEX-000330_Met_Pos_018; RAW_FILE_NAME(Raw Source Name.MN)=20220211_BL_HEX-000330_Met_Neg_018
SUBJECT_SAMPLE_FACTORS           	23_77_mid_WT	HSA-000019592	genotype:WT | condition:mid | group:mid_healthy | Sample source:microglia	RAW_FILE_NAME(Raw Source Name.LP)=20220209_BL_HEX-000330_Lipid_Pos_019; RAW_FILE_NAME(Raw Source Name.TG)=20220324_BL_HEX-000330_TGs_Pos_015; RAW_FILE_NAME(Raw Source Name.MP)=20220209_BL_HEX-000330_Met_Pos_019; RAW_FILE_NAME(Raw Source Name.MN)=20220211_BL_HEX-000330_Met_Neg_019
SUBJECT_SAMPLE_FACTORS           	11_63_low_WT	HSA-000019580	genotype:WT | condition:low | group:low_healthy | Sample source:microglia	RAW_FILE_NAME(Raw Source Name.LP)=20220209_BL_HEX-000330_Lipid_Pos_020; RAW_FILE_NAME(Raw Source Name.TG)=20220324_BL_HEX-000330_TGs_Pos_019; RAW_FILE_NAME(Raw Source Name.MP)=20220209_BL_HEX-000330_Met_Pos_020; RAW_FILE_NAME(Raw Source Name.MN)=20220211_BL_HEX-000330_Met_Neg_020
SUBJECT_SAMPLE_FACTORS           	3_60_low_APP	HSA-000019572	genotype:APP | condition:low | group:low_disease | Sample source:microglia	RAW_FILE_NAME(Raw Source Name.LP)=20220209_BL_HEX-000330_Lipid_Pos_021; RAW_FILE_NAME(Raw Source Name.TG)=20220324_BL_HEX-000330_TGs_Pos_008; RAW_FILE_NAME(Raw Source Name.MP)=20220209_BL_HEX-000330_Met_Pos_021; RAW_FILE_NAME(Raw Source Name.MN)=20220211_BL_HEX-000330_Met_Neg_021
SUBJECT_SAMPLE_FACTORS           	26_78_high_APP	HSA-000019595	genotype:APP | condition:high | group:high_disease | Sample source:microglia	RAW_FILE_NAME(Raw Source Name.LP)=20220209_BL_HEX-000330_Lipid_Pos_022; RAW_FILE_NAME(Raw Source Name.TG)=20220324_BL_HEX-000330_TGs_Pos_025; RAW_FILE_NAME(Raw Source Name.MP)=20220209_BL_HEX-000330_Met_Pos_022; RAW_FILE_NAME(Raw Source Name.MN)=20220211_BL_HEX-000330_Met_Neg_022
SUBJECT_SAMPLE_FACTORS           	19_74_high_APP	HSA-000019588	genotype:APP | condition:high | group:high_disease | Sample source:microglia	RAW_FILE_NAME(Raw Source Name.LP)=20220209_BL_HEX-000330_Lipid_Pos_023; RAW_FILE_NAME(Raw Source Name.TG)=20220324_BL_HEX-000330_TGs_Pos_013; RAW_FILE_NAME(Raw Source Name.MP)=20220209_BL_HEX-000330_Met_Pos_023; RAW_FILE_NAME(Raw Source Name.MN)=20220211_BL_HEX-000330_Met_Neg_023
SUBJECT_SAMPLE_FACTORS           	9_62_low_WT	HSA-000019578	genotype:WT | condition:low | group:low_healthy | Sample source:microglia	RAW_FILE_NAME(Raw Source Name.LP)=20220209_BL_HEX-000330_Lipid_Pos_024; RAW_FILE_NAME(Raw Source Name.TG)=20220324_BL_HEX-000330_TGs_Pos_002; RAW_FILE_NAME(Raw Source Name.MP)=20220209_BL_HEX-000330_Met_Pos_024; RAW_FILE_NAME(Raw Source Name.MN)=20220211_BL_HEX-000330_Met_Neg_024
SUBJECT_SAMPLE_FACTORS           	6_61_low_APP	HSA-000019575	genotype:APP | condition:low | group:low_disease | Sample source:microglia	RAW_FILE_NAME(Raw Source Name.LP)=20220209_BL_HEX-000330_Lipid_Pos_025; RAW_FILE_NAME(Raw Source Name.TG)=20220324_BL_HEX-000330_TGs_Pos_021; RAW_FILE_NAME(Raw Source Name.MP)=20220209_BL_HEX-000330_Met_Pos_025; RAW_FILE_NAME(Raw Source Name.MN)=20220211_BL_HEX-000330_Met_Neg_025
SUBJECT_SAMPLE_FACTORS           	20_76_low_WT	HSA-000019589	genotype:WT | condition:low | group:low_healthy | Sample source:microglia	RAW_FILE_NAME(Raw Source Name.LP)=20220209_BL_HEX-000330_Lipid_Pos_026; RAW_FILE_NAME(Raw Source Name.TG)=20220324_BL_HEX-000330_TGs_Pos_024; RAW_FILE_NAME(Raw Source Name.MP)=20220209_BL_HEX-000330_Met_Pos_026; RAW_FILE_NAME(Raw Source Name.MN)=20220211_BL_HEX-000330_Met_Neg_026
SUBJECT_SAMPLE_FACTORS           	4_60_mid_APP	HSA-000019573	genotype:APP | condition:mid | group:mid_disease | Sample source:microglia	RAW_FILE_NAME(Raw Source Name.LP)=20220209_BL_HEX-000330_Lipid_Pos_027; RAW_FILE_NAME(Raw Source Name.TG)=20220324_BL_HEX-000330_TGs_Pos_006; RAW_FILE_NAME(Raw Source Name.MP)=20220209_BL_HEX-000330_Met_Pos_027; RAW_FILE_NAME(Raw Source Name.MN)=20220211_BL_HEX-000330_Met_Neg_027
SUBJECT_SAMPLE_FACTORS           	13_65_low_WT	HSA-000019582	genotype:WT | condition:low | group:low_healthy | Sample source:microglia	RAW_FILE_NAME(Raw Source Name.LP)=20220209_BL_HEX-000330_Lipid_Pos_028; RAW_FILE_NAME(Raw Source Name.TG)=20220324_BL_HEX-000330_TGs_Pos_018; RAW_FILE_NAME(Raw Source Name.MP)=20220209_BL_HEX-000330_Met_Pos_028; RAW_FILE_NAME(Raw Source Name.MN)=20220211_BL_HEX-000330_Met_Neg_028
SUBJECT_SAMPLE_FACTORS           	16_69_mid_WT	HSA-000019585	genotype:WT | condition:mid | group:mid_healthy | Sample source:microglia	RAW_FILE_NAME(Raw Source Name.LP)=20220209_BL_HEX-000330_Lipid_Pos_029; RAW_FILE_NAME(Raw Source Name.TG)=20220324_BL_HEX-000330_TGs_Pos_005; RAW_FILE_NAME(Raw Source Name.MP)=20220209_BL_HEX-000330_Met_Pos_029; RAW_FILE_NAME(Raw Source Name.MN)=20220211_BL_HEX-000330_Met_Neg_029
SUBJECT_SAMPLE_FACTORS           	Pool_3	HSA-000019617	genotype:NA | condition:NA | group:NA | Sample source:microglia	RAW_FILE_NAME(Raw Source Name.LP)=20220209_BL_HEX-000330_Lipid_Pos_030; RAW_FILE_NAME(Raw Source Name.TG)=20220324_BL_HEX-000330_TGs_Pos_029; RAW_FILE_NAME(Raw Source Name.MP)=20220209_BL_HEX-000330_Met_Pos_030; RAW_FILE_NAME(Raw Source Name.MN)=20220211_BL_HEX-000330_Met_Neg_030
#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 the
CO:COLLECTION_SUMMARY            	mKate2 fluorescence signal and sorted into low, mid and high expressing
CO:COLLECTION_SUMMARY            	subpopulations, as a proxy for the TREM2 expression of individual cells.
CO:SAMPLE_TYPE                   	microglia
CO:STORAGE_CONDITIONS            	-80℃
#TREATMENT
TR:TREATMENT_SUMMARY             	No treatment
#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_SUMMARY        	For each analysis, 5 µL of sample was injected on a BEH amide 1.7 µm, 2.1×150
CH:CHROMATOGRAPHY_SUMMARY        	mm column (Waters Corporation, Milford, Massachusetts, USA) using a flow rate of
CH:CHROMATOGRAPHY_SUMMARY        	0.40 mL/min at 40°C. Mobile phase A consisted of water with 10 mM ammonium
CH:CHROMATOGRAPHY_SUMMARY        	formate + 0.1% formic acid. Mobile phase B consisted of acetonitrile with 0.1%
CH:CHROMATOGRAPHY_SUMMARY        	formic acid. The gradient was programmed as follows: 0.0–1.0 min at 95% B;
CH:CHROMATOGRAPHY_SUMMARY        	1.0–7.0 min to 50% B; 7.0–7.1 min to 95% B; and 7.1–10.0 min at 95% B.
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                     	100% water; 10 mM ammonium formate; 0.1% formic acid
CH:SOLVENT_B                     	100% acetonitrile; 0.1% formic acid
CH:FLOW_GRADIENT                 	0.0–1.0 min at 95% B; 1.0–7.0 min to 50% B; 7.0–7.1 min to 95% B; and
CH:FLOW_GRADIENT                 	7.1–10.0 min at 95% B
CH:FLOW_RATE                     	0.40 mL/min
CH:COLUMN_TEMPERATURE            	40
#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	log2(area)
MS_METABOLITE_DATA_START
Samples	HSA-000019615	HSA-000019571	HSA-000019581	HSA-000019593	HSA-000019579	HSA-000019584	HSA-000019594	HSA-000019587	HSA-000019586	HSA-000019577	HSA-000019590	HSA-000019583	HSA-000019576	HSA-000019570	HSA-000019591	HSA-000019616	HSA-000019592	HSA-000019580	HSA-000019572	HSA-000019595	HSA-000019588	HSA-000019578	HSA-000019575	HSA-000019589	HSA-000019573	HSA-000019582	HSA-000019585	HSA-000019617	HSA-000019574
Factors	genotype:NA | condition:NA | group:NA | Sample source:microglia	genotype:WT | condition:mid | group:mid_healthy | Sample source:microglia	genotype:WT | condition:mid | group:mid_healthy | Sample source:microglia	genotype:APP | condition:low | group:low_disease | Sample source:microglia	genotype:WT | condition:mid | group:mid_healthy | Sample source:microglia	genotype:WT | condition:low | group:low_healthy | Sample source:microglia	genotype:APP | condition:mid | group:mid_disease | Sample source:microglia	genotype:APP | condition:mid | group:mid_disease | Sample source:microglia	genotype:APP | condition:low | group:low_disease | Sample source:microglia	genotype:APP | condition:high | group:high_disease | Sample source:microglia	genotype:WT | condition:mid | group:mid_healthy | Sample source:microglia	genotype:WT | condition:mid | group:mid_healthy | Sample source:microglia	genotype:APP | condition:mid | group:mid_disease | Sample source:microglia	genotype:WT | condition:low | group:low_healthy | Sample source:microglia	genotype:WT | condition:low | group:low_healthy | Sample source:microglia	genotype:NA | condition:NA | group:NA | Sample source:microglia	genotype:WT | condition:mid | group:mid_healthy | Sample source:microglia	genotype:WT | condition:low | group:low_healthy | Sample source:microglia	genotype:APP | condition:low | group:low_disease | Sample source:microglia	genotype:APP | condition:high | group:high_disease | Sample source:microglia	genotype:APP | condition:high | group:high_disease | Sample source:microglia	genotype:WT | condition:low | group:low_healthy | Sample source:microglia	genotype:APP | condition:low | group:low_disease | Sample source:microglia	genotype:WT | condition:low | group:low_healthy | Sample source:microglia	genotype:APP | condition:mid | group:mid_disease | Sample source:microglia	genotype:WT | condition:low | group:low_healthy | Sample source:microglia	genotype:WT | condition:mid | group:mid_healthy | Sample source:microglia	genotype:NA | condition:NA | group:NA | Sample source:microglia	genotype:APP | condition:high | group:high_disease | Sample source:microglia
1-Methylhistidine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
1-Methylnicotinamide	17.118408370819942	17.31274655484715	18.01711947555489	17.686134128413396	18.189922250373186	16.961519760710697	16.78274552869033	19.165511951919218	17.313594991758105	17.40318442346489	15.601279001104334	18.892452019697956	18.92664430570262	16.659682653572922	15.844360348982725	17.15885434488249	19.90185050952142	16.29600082467393	16.648407399963492	16.091872384354506	16.76874166129185	16.990310479780515	17.174978101728332	16.736659507416174	16.011464254100215	17.224275457823655	17.071523541044833	17.319115073341237	15.619058470251268
1-Methylxanthine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
1-Methylxanthosine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
1,3-15N2-Uric acid	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
13C10,15N5-Adenosine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
13C3-Thiamine	25.577874667449514	25.362623122922024	25.415665211640658	25.330774787175628	25.389492127368896	24.93418996819922	25.012849434167222	25.39015382785082	25.61208856539153	25.44566199860753	25.39778889344053	25.35628441931235	25.254025504452883	24.79257939545175	25.312779214677782	25.51224338527625	25.252586612618426	25.21745558304828	25.463761750594774	25.10629975556374	25.61412793294246	25.47268706299516	24.978910130930803	24.975608867402503	25.469136011306993	25.219056764420195	25.01539078	25.52793849314567	25.054208147420823
13C5-Hypoxanthine	14.683005193274733	14.553114818179294	14.646664140244345	14.878575590629325	15.203488200854732	15.294624875782555	15.206829429559741	14.922995936915212	14.184900287033239	14.798774611196242	14.12586552151649	14.475755677353394	14.891317843978145	15.087855934261377	14.472474253590033	13.954475910887565	15.443012389734006	14.784532440414027	14.780965956439399	14.968684640428568	14.965944857863247	14.572970509792196	15.129131010018726	14.951482714666925	13.675615260167442	15.191462144905502	14.069355175035499	15.363251836151123	14.373427610755947
13C5-Xanthosine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
15N4-Inosine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
2-Aminobenzoic acid	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
3-Hydroxy-N6,N6,N6-Trimethyllysine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
3-Hydroxybutyric acid	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
3-Hydroxykynurenine	17.003947746937264	16.09963319555699	12.006154167544945	16.430852673351136	16.686642429354748	17.07368057810111	16.70619348410331	16.469501937525703	16.031081966303233	16.409600822421837	16.560756315391444	11.965403133460242	16.716811253954777	16.760448801002404	15.701861589181998	16.388133825951446	16.084082321131408	15.959477758401594	17.051555173645976	15.914626528863161	16.24411258279926	16.32290524094969	16.208438927892182	16.25109486832237	16.29106041492129	16.51190852	16.02156380234307	16.54111026724706	16.023733726154163
3-Hydroxytyrosol	16.65724730283869	17.35886120130693	17.248930619526348	16.909105750483793	16.996835530093158	13.942294250924512	17.247045472655167	16.924568926824254	15.979131312680122	16.673399693471374	13.141109590259187	17.83543674438836	17.389722711521053	15.905980519648594	16.952365576177236	16.480724095112265	17.652460336296535	15.751436897788661	16.300428854738225	15.446652757824701	15.44278869825715	16.446647148341064	15.402113457914844	14.176906646954635	15.707968627540021	16.612863428466415	NA	16.437257754229027	15.120652869692748
3-Methoxytyrosine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
3-Methylxanthine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
3-Methylxanthosine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
4-Hydroxyproline	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
4-Trimethylammoniobutanal	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
5-Glutamylalanine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
5-Hydroxyindoleacetic acid	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
5-Hydroxytryptophan	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
5'-Methylthioadenosine	18.354038683927566	18.803734464606904	18.50278328351489	17.80320232	18.00054746263811	15.160735877600114	18.571773179009547	18.718577678732835	16.80217922295671	19.464898053835118	15.72822690573377	19.331682353749706	18.829119747237936	17.132956849968533	17.77779344276955	18.393181621875552	17.846345987007254	16.78034710141305	17.336729964534236	20.40214518644453	18.65388546171587	17.23323354	17.77612185885989	15.846478986304584	18.301746065373912	17.34877788611036	14.685415798525822	18.592380999461724	18.900213939282754
6-Aminouracil	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
6C13-Phenylalanine	27.472838054367234	27.490184477987803	27.613672107042145	27.562802847105548	27.637753139559653	27.610068283119936	27.50014001	27.638191301075086	27.637065094003447	27.570009099143576	27.597708564530272	27.58808816753631	27.597874100264406	27.570809556423786	27.634425744033365	27.573164351366522	27.61579597572967	27.622828766218717	27.66880515293595	27.46398927458619	27.626672187061292	27.627004008289397	27.48823999471858	27.603310333264485	27.595528224616057	27.649536910444514	27.62018812109662	27.588724651501263	26.718548738201328
6C13-Tyrosine	20.384412942302323	20.323136877640838	20.51678016854169	20.510314141419723	20.440279380088366	20.93876234466297	20.36904466107429	20.75230362329213	20.580510853104244	20.313372348232562	21.560996453270917	20.90665154484772	20.47058787725018	20.41715615679044	20.638704138429457	20.487722512694518	20.48993937598882	20.43759954887383	20.46312298189139	20.450601566988446	20.59955360566843	20.533243629978468	20.757478404020407	20.483578596226803	20.373845528938485	20.646328633127755	20.698074053230798	20.458218101918707	20.015497442776997
7-alpha-Hydroxy-3-oxo-4-cholestenoate	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
7-Methylguanine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
7-Methylguanosine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
7-Methylxanthine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
7-Methylxanthosine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
8-Hydroxy-deoxyguanosine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
8-Oxo-deoxyguanosine-13C,15N2	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
8-Hydroxyguanosine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
9-Hexadecenoylcarnitine	13.973423617410168	12.64437407969967	NA	12.931000584352892	12.601577771814146	13.857756829080019	13.120301648400185	12.639626987600678	12.982079124772735	13.136522241910386	13.51784332864928	13.816148723709013	12.869597305674944	12.016862236815122	14.369078499355195	13.397288091312536	13.758076224678405	12.966866491537207	12.613935589398967	14.269837755365685	12.428003647540852	12.532561470201767	11.77748792605901	14.398940877798392	12.735403518886507	13.705743337591137	13.04659366975495	13.355393483988939	NA
Acetylcarnitine	19.80792004	19.686059122514635	19.448299376570446	20.410212308937517	18.71923277838725	19.58704297945618	20.018620548424494	19.371577565976718	19.332773376587813	19.091728404395976	16.670761406430305	20.000952773721018	18.935820514096115	19.178571078456354	20.944088517201955	19.685453353548283	19.805187649216904	19.31309078219522	19.468442421160827	20.191758979619458	19.334005941102273	19.472446659083676	19.36486800320355	19.98980652974402	18.585203933862836	19.95771331490842	17.07486474088401	19.594951687169246	18.86608248213692
Acetylcarnitine-d3	28.89237133403795	28.873537000180335	28.93963881861603	28.88238725427018	28.922634570814832	28.995113568015448	28.822706973715583	28.94489111558559	28.92815512714889	28.81589134505859	29.05002983344718	28.97689674477418	28.82075701481232	28.794011445215666	28.87741315445613	28.837090774722856	28.847019300054182	28.82009152378574	28.824846904432217	29.05561388877217	28.827378946754024	28.807710980637506	29.09605920617971	28.78117949277725	28.720959735922595	28.86386331606282	28.844952670088837	28.73523705369352	28.613672321405684
Adenine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Adenosine	21.198604423091243	21.64807128961282	21.615785087410153	19.08478374123092	21.09456670982843	18.162314632850496	21.859577798517723	23.626072612549038	19.430732210973165	23.39291336939078	19.936695393497676	21.768057959072777	22.022221139735223	19.181263917777493	18.783526229923684	21.112211848675916	22.896803611859195	18.942292317409855	18.849179938367005	22.039555611920367	22.42016518299388	18.34841933871912	19.875619621546047	18.047102736204845	22.234451690075833	19.242635858497813	20.992673835535502	20.949713590911887	20.994748811261754
Adenosine diphosphate ribose	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Adenosylcobalamin	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
AICA-riboside	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Alanine	14.106931099424765	13.27741284280711	13.09298935353301	12.95890754856042	NA	NA	13.979494250371783	13.590103020169373	12.88411448667209	13.238968471641966	13.119643332960566	13.469887299256827	13.899387663664971	12.913608644801492	14.082232866839215	13.112331204784693	13.911491649280812	13.16467306902687	11.938420048398898	14.276091458861965	13.988707260670408	NA	NA	NA	12.84139975565986	NA	13.379558346363726	13.951482264407577	12.638775967562943
Alanine-d4	22.26498122503556	22.203571993529227	22.288189994451773	22.23199716328404	22.28597505997208	22.28715274	22.25223782127885	22.292575185447443	22.226770864078585	22.210995336618602	22.323105652279637	22.290109609692703	22.29471868026405	22.26289883892225	22.290525769126805	22.20148619958405	22.25714964599716	22.207889323168086	22.24725738395803	22.248536312690828	22.287452833131027	22.24178679176621	22.28781804	22.283952517968977	22.269422632579964	22.268937283065306	22.269623123585724	22.39780686640341	22.175643889990013
alpha-Tocopherol	14.952311494433546	15.033480956140975	15.294895605956455	14.545741538498174	14.172130638171563	14.185283499408492	14.618437281277325	14.939363978516408	14.660728701441203	15.196540047561033	15.10012363398734	14.627386449110793	14.586095323691397	14.78839083308713	14.90152821572995	15.129485131533992	14.900879899160028	14.918703493389637	14.717278776287944	15.392344002678984	14.263504934414104	14.524015514327145	14.771659443846922	15.303629627859431	14.995164766929191	14.827507319318437	14.073171468144238	14.83152066244029	15.366738147064192
Arabitol	25.09729077356892	25.032282407245376	25.098631878613496	25.12347091159628	25.088207248451624	25.12951530552963	25.072470190203134	25.16567603690244	25.121023125303026	25.049312254238746	25.136850722393813	25.13305340989708	25.00338258800037	25.13279935	25.14786230427495	25.11911368075316	25.08567893933996	25.18267378	25.148362172921214	24.977081804101402	25.154181536985323	25.07309955736022	25.068510053206953	25.099201611260025	25.048863818688343	25.177611146471133	25.160418060909112	25.111392924251465	25.040271705098704
Arginine	20.61193459932719	20.060868764185194	19.59530796760613	19.629774734476754	19.25746617113221	18.63695017743476	20.103579056867694	19.731952448589244	19.108633627193907	19.878299012778797	18.98993520574481	19.80756074901581	19.534177743164477	18.862517619155962	20.343781001188436	19.70764331800858	19.97599316320981	19.023949068673144	19.194380648191686	20.677765133493754	19.784498464261496	18.916736786436754	18.96091658004129	19.16905279294859	19.329586386956024	19.72239384489524	19.25388413	19.777356646859328	20.38797485825977
Arginine-d4C13	28.11996208600588	28.133228154803064	28.19602168220512	28.26473037017669	28.283874099936586	28.263846618097887	28.307913099519013	28.298258827245018	28.30914067045756	28.34422569	28.32450802821162	28.271359346928644	28.38201178229538	28.471757299649177	28.483806184174682	28.570940969206827	28.542016129633076	28.53812396119281	28.541484844736964	28.565690242356098	28.535100219017142	28.452084910674458	28.47894341598992	28.552468059600038	28.71608978851727	28.551859225830082	28.501634569187708	28.68743242107724	29.53235293008801
Ascorbate	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Asparagine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Aspartic acid	16.18938487	15.782213705426901	15.687578024132831	15.777486646772196	14.829919021961276	14.777582215403658	16.605978007511858	16.236011906525444	15.459517955851718	16.32116896222294	14.58350784671112	16.373291281317243	15.642253690501596	15.494718862203436	16.709311810979102	16.007133787307758	15.997048271397533	14.856074540677564	15.316503980623285	17.207626281340083	16.058775687400466	15.427329501687069	15.385941414790016	15.062385340073481	15.469558642737121	15.358897511434925	14.511234387591553	16.25880777120405	15.555906861255691
Aspartic acid-d3	22.244810250688378	22.094239514481245	22.181458376229255	22.110190438636632	22.215113599707916	22.12986461964467	22.085274851915603	22.14997147236352	22.17423737304825	22.157295961950037	22.215993654544818	22.11684842934175	22.09511332714505	22.17196012682076	22.212629820934314	22.199865344628556	22.042480695370323	22.14065128774188	22.150484628162186	22.238265096376235	22.16219646025337	22.157853624195244	22.035709665588698	22.194543078380278	22.170183801915087	22.19847355	22.17853577450766	22.05893305819702	22.03713696820736
Asymmetric dimethylarginine	17.60829312798485	16.53425425327367	16.298435395446887	16.49758498	15.642767201382954	15.585544792103592	16.89528711683311	16.44890992910876	15.668048065193043	16.69273144	15.65331205140808	16.785130048860182	16.413578704222804	15.413635060827351	17.415902504972564	16.67201059906775	16.64145768752538	14.678886836883883	15.48508173571164	17.352557045806996	16.550080098062622	15.37131564395346	15.226914059479004	15.365495101596098	15.434912546512027	16.16925134654875	15.265218103012822	16.181037309783182	16.107781469970806
Betaine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Betaine-d11	23.87607188944563	23.806605807578794	23.92086931	23.848449218092185	23.883975064249245	23.936360647610815	23.801788322039414	23.93330414273275	23.87184100578095	23.74232997416758	23.984342329968054	23.91411174456994	23.738691377658782	23.663329250737096	23.733001871290618	23.67391467	23.63739013738067	23.674312599589605	23.746766074477556	23.100932084339114	23.73647805739974	23.68944246	23.335490333927474	23.647791287665743	23.564276113150715	23.737685562844344	23.766363463581687	23.605955940415328	23.2576449
Bilirubin	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Butyrobetaine	14.471822108767169	14.309626252385739	14.342839550720461	14.74530049301668	14.55038717150264	14.935712354857408	15.063742060766247	14.415786519093503	13.83172097218676	14.138807632799791	13.19834639448211	14.195746403991022	13.877221038971502	14.60298589433853	14.69449134076109	14.462661653802488	14.334120229989397	14.733659137824416	13.91561485092951	14.65946145168452	14.656777970321127	13.88132183187164	14.917872605442046	14.583588399644446	14.811152022184064	14.43442524151028	14.247700951388556	14.424669395410225	14.753003464212675
Butyrylcarnitine	16.812528805702726	16.53246668417705	16.181964798618615	17.294876083855772	15.72637281	16.89400743954997	17.11134807695286	16.64278956946042	16.86080402649158	15.687340355965182	15.082257535800743	17.13078238667388	16.192238928619403	16.50327983277774	17.96378153237943	16.876905017111596	16.825552228915992	16.36492087689599	16.51428794615172	16.851290280230643	16.581699852524974	16.62927134158292	16.016448790250642	16.953558133167792	15.829789740070874	17.433263844317384	15.411928618255958	16.921352151083667	16.37001849523472
Butyrylcarnitine-d3	27.882880951558537	27.908844460201788	28.000995801244223	27.903073807019812	27.936470116249836	27.896304428802814	27.911266375705726	27.87383130131599	27.915166174606405	27.815072206022904	27.93522277696823	27.989166992069364	27.885603601734772	27.906577626496947	27.984199644769404	27.871472786399643	27.963671964814033	27.88874398783021	27.97211951424321	27.82903058372278	27.877483932981423	27.86931015052388	27.830545104383212	27.931373580278375	27.890876314568253	27.908539731037465	27.909534755616193	27.861183935015436	27.764598598661237
Cadaverine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
cADPRibose	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Caffeine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Capsaicin	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Carnitine	17.248067468432033	16.28393844196501	15.962739963064381	17.15207941	16.14400659788161	15.781499526656999	18.05163960071371	17.97460464500121	16.513881470072235	16.92714886032315	17.32464980750349	17.244860216275246	16.79544362771422	15.373422595160985	18.082548989592574	16.906476955139333	17.038127189567145	15.126209630166416	15.375599919743872	17.66491419	16.729828581187856	15.65470031283082	14.738243371832432	17.331135769208622	15.136988999620906	16.480380230304522	16.58151974067468	16.825741567687437	15.94003634326616
Carnitine-d9	26.365016990678697	26.300935041961157	26.328518601645985	26.27535183174414	26.315337966894834	26.31512337028364	26.315137577623197	26.29578362038947	26.294505522623705	26.284851123056185	26.299492166957165	26.278367200110274	26.307202081604384	26.289676413640287	26.283724822201247	26.297058592915928	26.29253727282485	26.257733909376984	26.294097916209218	25.940354589001327	26.317968985751985	26.287003056552106	25.970998524787333	26.294835647938978	26.30687626284781	26.32028991051104	26.312207293578517	26.343981778190205	26.309420044432972
Choline	23.016539304465248	23.880383654915494	23.425610114776003	22.47770196962472	23.01594469571616	20.364424835902657	23.80216008906415	23.62670926033768	21.744709865248137	23.519727845729907	20.376873891540832	23.933323276488274	23.445480567828376	21.843557853898655	22.48853558914866	22.976009536083183	23.42100739	21.800910727606087	22.453649024022354	23.93019349511574	23.143323393303774	22.035859330489778	22.303872927582447	20.761565692960236	22.649810539942976	22.610554162468155	20.90429557959109	22.925216300119867	22.893191604226583
Citrulline	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Citrulline-d2	21.02521643402773	20.97248479278872	21.011680428587916	20.995936254352575	20.956015724981327	21.00043040159655	21.015344024379548	20.983085231875688	21.007147797683324	21.00601807801584	21.04801822634408	21.035121407563988	21.01922025426742	21.080903125226286	21.048431590740915	20.915522497646847	21.03584297	21.049976362991032	21.019530576184348	20.99670270305053	21.080227859372037	21.03600709652506	21.054077437192674	21.04068657155558	21.076994765372955	21.09136072658037	21.068027646985243	21.02132787331605	20.986064700233648
Cotinine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Creatine	20.95588314	20.882976186770687	20.35154935011922	20.286062300202218	20.28720617761238	17.95962466	21.85182454779407	21.58774149094661	19.22154032679121	21.94726896896956	17.534454167975557	21.095918740605423	21.39013677	18.345637790624245	20.19417538904663	20.977635439768243	20.611148393771185	18.646906374928538	19.636412891872386	22.699846967811787	21.80747155297413	19.237933852530702	18.999003625711143	18.323851774681103	19.601859246424343	20.501787761021802	17.609488110528133	20.870611386370083	21.227015119354384
Creatinine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Creatinine-d3	16.693876238833358	16.792617671592797	18.40989404008063	16.53287777431495	16.80184443839904	12.12227135242033	17.66946696	20.124476630105814	15.990649316376782	16.464215347719964	19.67979226965765	19.25297086975014	16.42832876988087	15.986497608885475	14.519387139982785	16.505330576747642	14.72073588473771	16.736746242061653	14.080543671810354	16.061722988193566	14.91613658228409	13.169361067847028	15.55201226882152	15.335024771238059	17.178215121298514	16.485746654001453	16.7212019	16.792661711668202	17.676166461704135
Curcumin	15.994775404945363	16.288906027692978	16.281137348736255	16.075101642530054	15.87377047014937	16.84289303282502	15.956680387314837	16.511577778913022	16.392466206434342	15.935724624046856	16.51394771712434	16.613409926702563	16.031136031700566	15.977545319957997	16.374388472566135	15.778614536555049	15.687237601772576	16.069615437621234	16.215934103834506	16.42049890733199	16.067503299791873	15.961115386224225	16.83942041731535	16.100704058651306	15.221113956297302	16.50844752371271	16.545063865736076	15.32124937364128	16.98326575148943
Cyanocobalamin	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Cystathionine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Cysteine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Cysteinylglycine	21.72458779307514	21.80950438826582	21.86385195145079	21.92152529639869	21.923672646052886	21.90995001767658	21.94976648862345	21.91851861962898	22.005043286496402	21.981276452593136	21.93326351274515	21.955904848150332	22.009484388523337	22.01629964378878	22.17282671147211	22.167799309773393	22.22064107122147	22.17778254969885	22.160598257421597	22.171724068836138	22.132851119621257	22.162472902934027	22.12801713473991	22.170106546423835	22.376761083474616	22.26274892922129	22.183608119122432	22.430617045458813	22.891336773498875
Cystine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Cytosine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Decanoylcarnitine	14.404302991350585	14.506141787427962	15.059780351200992	14.405702183116192	14.435444546101683	14.504985403812416	14.898435347916871	14.826781833490399	13.915302741542057	14.026937196273728	14.576952366784926	14.280765628720506	14.304930941951259	14.56924280710484	14.274355712591664	14.494917666844913	14.649196477403189	13.975824856051814	14.882001042897867	14.830262732794788	14.313236322348915	14.373886355086794	14.07253771991291	14.419983652928734	15.052904398137526	14.416884952877602	15.15376317	14.636121132195335	14.444907308048638
Demethoxycurcumin	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Deoxyadenosine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Deoxyguanosine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Deoxyinosine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Dimethylethanolamine	18.60622419778922	18.167866666400975	18.257125654859017	18.212234491060663	18.50059697341356	18.404210350225895	18.262911683495922	18.270500560293286	18.366743384895567	18.159965474413852	18.41071525072366	18.51402643388487	18.365278771995914	18.043750098026432	18.56615645674349	18.44028674437474	18.113202878588645	18.28790502811671	17.92910336544652	18.589253191879525	18.33911584271072	17.95158125509631	18.237361928330646	18.138859832082257	18.343828951838255	18.214311527915328	18.39762579030445	18.463835753780206	18.176987535107475
Dimethylglycine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
DNL201	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Dodecanoylcarnitine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Dopa	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Dopamine	17.817592572062118	17.77118360561703	18.038177225435703	18.012916069526813	18.01492989	17.991042758080734	17.82975289737473	17.972005596016295	18.076726726868497	18.136736088377646	18.02785617869292	17.924872176058535	18.00164965968978	17.845284919373846	18.07318803774783	17.915758874548875	17.80884844041545	18.042266448508332	18.24643933461958	17.94839792965566	18.001265317772962	18.09068868236904	17.809326821990933	18.134360508732772	18.008861793022394	18.05788490212085	17.85157561599467	18.115075537073146	16.75381341495799
Dopamine 3-o-sulfate	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Dopamine 4-o-sulfate	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Epinephrine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Ergothioneine	15.458497536507334	11.247236507801352	12.400818833195231	17.78676925187155	NA	16.627677319784553	12.597830898739574	13.680886901030993	16.944186825264882	11.531383010642893	11.409395327373113	11.44214233372015	NA	15.376201966030491	18.285149594819472	16.070387096360026	11.800156895284474	16.27619029348272	16.577718465605518	11.981016489779613	11.449182112808902	16.05654012834217	14.931679306740001	18.104865606032728	NA	17.41776976778714	12.961126836216016	16.29417986496964	12.39397866568123
Ethanolamine	12.805461480851093	12.251127988201656	13.954191084170876	13.518004175250043	13.908045920536528	14.192985580437886	NA	14.841764585542698	13.636611181241355	13.638517079562643	14.694669974908267	13.780173556695942	13.196820292988903	NA	13.874760768465666	12.596978402633379	12.987430359233752	14.079183473260095	NA	NA	13.813554081277351	13.425182171020664	14.141439843442706	13.235910368555045	13.15177329656099	13.87911980140232	13.401576775914418	12.912114986837693	NA
Formylanthranilic acid	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
gamma-Aminobutyric acid	12.378876982280453	11.605170051634817	12.627672513484248	12.476695248588054	NA	NA	13.343356551731487	14.888158813406536	12.397891450687187	13.067520469035582	NA	13.43563340526424	13.165613061600444	11.81051577774924	13.244820033060467	12.868149705286028	12.703433518227811	11.858803631250051	NA	13.144709865542726	12.315125211746633	11.885400727665639	11.789320949480773	11.27190142021933	12.247632108512331	12.364494274032955	11.948138334469594	12.711769562666078	13.183601060374556
Gamma-Glutamylcysteine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Glucosamine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Glucose	20.649864517889622	20.716401857864287	20.801900976270282	20.816422627669333	20.865552386489583	20.535569909490118	20.829775241914234	20.60961785731558	20.737570790352795	20.893776048922597	20.322248587756036	20.474625814446135	20.938857687519484	21.09748894507676	20.80475260760576	21.071520361029023	20.913915847781368	21.012317824116924	20.88305661725152	20.357489756850722	20.887275163802503	20.936979606733896	20.182900956793855	20.82001944652585	21.134354611375244	20.864698249014925	20.91723826636114	21.055808712374457	21.58543798859367
Glutamic acid-d3	21.673321191442948	21.64598856640256	21.71053599926481	21.585379131449468	21.69214564461532	21.677716832631255	21.648513428921873	21.702761985569467	21.666544394426193	21.642307577594707	21.693171107542398	21.76172294506816	21.63662985979418	21.679813490371735	21.634470230441796	21.637044771756333	21.652349317138505	21.641415868446938	21.682598448459117	21.687470942383438	21.67213430483506	21.68145556249218	21.71681244664434	21.70861692	21.63735742971562	21.69626005724248	21.674890441339738	21.58794100148026	21.600005184870245
Glutamic acid	18.552846909512645	18.37561199048406	18.05828421847734	17.982354346516534	17.748115214450042	16.936380860221323	18.774434795709233	18.241600217640702	17.187749392366715	18.015843754475533	16.621447278444563	18.564275336277444	17.947542043066285	17.159989408139058	18.301630379629135	18.104536644580588	18.181867234834463	16.982277672619798	17.377154854123038	19.00861886010098	18.254695431507365	17.289278533396885	17.180082669245383	17.08351854	17.359059288035294	17.77063883071319	16.54632583965848	18.12215288659281	17.75882512392021
Glutamine	16.45415074425471	15.674367627202953	15.55799458037339	15.043740879796887	14.762655112178527	13.72138246768253	15.892674386449409	16.022355410104332	14.939343863103614	14.843194074525563	14.590308748329257	15.763428179607436	15.032511632254776	13.645908321628951	15.602812941510068	15.168903996772613	15.458926530855564	13.994896045398983	13.834685179671014	14.786708419530148	14.906148030462536	14.197491131141499	14.067422155689421	14.164577851429312	14.316126181440195	15.099259123939396	13.974918625783932	15.403402874749252	14.957558024290865
Glutathione	17.062630529124696	17.53534557	17.31379737647513	17.098238507204503	16.944650090577525	16.304281705039276	18.276769491913885	17.497503845549907	16.606586629076883	18.387025163665143	14.98538553	18.37665569973408	18.18273117856265	16.468275380890496	17.860869777980046	17.656380638162954	17.902972992287005	16.302144151011166	17.125871399563966	18.817902192669866	18.21488666354575	17.00476118	16.62607368867259	16.491145511381823	17.109051459919133	17.355562304523477	14.951591881086392	17.691475751342384	17.72868035032558
Glutathione disulfide	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Glutathione-(glycine-13C2,15N)	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Glycerophosphocholine	23.08227369	24.00987527192083	23.768210550931407	22.815768772704637	23.321291696003968	19.81432839896242	24.305796814646296	23.457978839782722	21.702989820596045	22.957843004417565	21.702850227254515	24.493328735496483	23.228810554945127	21.711496926908737	22.464980976505775	22.995272386399243	24.233291670850306	21.814437466137733	22.055835203526016	24.02078742942423	22.974604094433204	21.870619522673536	22.001631847684873	19.91027975024615	22.28820090269382	22.80035762476854	21.891456272277377	23.09849683403319	22.067353996768098
Glycine	NA	NA	NA	NA	NA	NA	NA	13.570003899766307	NA	NA	NA	NA	NA	NA	11.537582419913065	11.638020701961018	NA	NA	NA	NA	NA	NA	11.077786545289943	NA	10.853510714178457	NA	NA	10.66310465288334	11.804864029726485
Guanine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Guanosine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Hexanoylcarnitine	17.380598309776424	18.476106159722256	18.12757606079445	17.431884429192387	16.994010230309527	15.72439004538549	18.404866286265605	17.781880290603358	16.675368455179104	17.656640457166276	14.551224612263985	18.745779829055227	16.943436327361603	16.88118664359058	17.512919520255814	17.562243205272754	18.48276662586969	16.65414680456953	17.32675846539493	17.84209050761294	18.027847590496073	16.83917765916871	16.86601482760265	15.934326615691958	17.48094370626635	17.764727941959308	14.707544828503805	17.42420295130001	17.527210905314217
Histamine	16.747296559943788	14.986164885892999	NA	12.79266664968627	NA	NA	15.075191952517654	NA	13.448872906196446	NA	16.47610940058027	14.804586844044914	NA	15.314449551855606	18.993972891377137	16.942823055418906	15.410456331357477	NA	NA	16.188490222457258	NA	NA	NA	15.974643213501967	NA	15.645833456736739	17.134241822198607	16.47614351685287	NA
Histidine	20.709856133808923	19.818977047035453	19.12412128304146	19.008886969174757	18.476945221455715	18.082777376661895	19.178194029545008	18.226195029959364	18.036806556519917	18.694372468185076	19.02110981503545	19.141445032291703	18.69548222367223	18.116134358532644	21.083413163664556	19.897973631178115	19.369675949104714	18.074984812550117	18.11222597657764	20.234760964250068	18.678320380743244	18.180164180089662	17.765684119912702	19.23375856667653	18.972915353445185	18.736027862753726	19.653942850803183	20.03265968418958	20.38576992895243
Homocysteine	21.94954711	21.97500032376416	22.054660223910936	22.01368068995361	21.980280621488323	22.026313155010545	21.979052206721263	22.036685769268416	21.994984749628895	21.993919934090243	22.052334327099537	22.056561257919185	22.013570758712206	21.98196281	22.025356669110902	22.021778049036275	22.019349690823812	22.020763009402014	22.08123753887984	21.833619811735726	22.055539931557117	22.014188925475306	21.913203888414518	22.06570911574103	22.026687005374207	22.086312213384975	22.077133395893725	22.050819271369836	21.954805983358423
Homoserine	14.264520616786312	13.741252094470923	14.292484200904292	13.850801542690231	13.11267064359166	13.616490081592472	14.472806362911438	13.595578943228274	13.053647308769053	13.468255451918088	13.62454932640322	14.669630345578193	13.84305839300487	13.884158290649955	15.274355624777327	14.034988330560195	13.436465143733349	12.479652642728274	13.274176130659681	14.363474821114025	13.175293094342903	12.365629738869936	12.965082071333127	14.049237657971187	13.178804837248826	13.67864760454797	14.15067922330779	13.57814834	13.783023838334644
Hydroxybutyrylcarnitine	18.48005691995576	17.91747022640561	17.751129343880912	18.36841041	16.954357132229525	17.713622050456927	19.16879187636243	18.103717524491366	17.629617403648414	19.111042577363058	13.96098169069309	18.47693155275344	18.39851953474539	17.504444515403694	19.089560054229676	18.434398009792723	18.473579827178632	17.443977532806347	17.69202716394483	19.73725258125983	19.05432815775426	17.82485967	17.23916672080922	17.963913490800564	17.389063398716495	18.337190448222806	15.167221164943196	18.497899322641622	15.705975200454157
Hydroxyhexanoylcarnitine	14.641870518784659	14.968541719702257	15.023411335143791	14.312761587072684	14.432534260381997	12.514367797057512	14.343093739468456	14.157878217672474	13.135168413763237	14.062922127673113	10.556446187880576	14.464322333991422	13.234842634902177	13.936198187596224	14.820850769423156	13.956562815796334	15.371688680555211	12.766073026838319	13.178852301732224	14.544084725729752	13.713291445034114	13.459211208955153	10.991380210396656	12.43882451967766	12.604900952941719	14.065478293007555	NA	14.681632030994448	12.12461661961509
Hydroxyisovaleroyl carnitine	15.158031849628234	15.535301056709889	15.426707343216552	14.851250982147592	15.045075571405816	14.396788690616837	15.907660629001077	16.052359163295236	14.903617143972593	15.686248347771585	11.381555648785254	16.293599652241888	15.183722990606576	13.893358153642547	15.807521806579476	15.661776981448671	15.712724034915686	14.310251874567767	14.748059361674946	16.766919518947898	15.668294906460645	14.465978533876811	14.439850808579923	14.882537497506247	14.636496634861295	15.755965104151814	12.821576279184649	15.358087885726246	15.083012960521428
Hydroxypropionylcarnitine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Hypoxanthine	16.231534377385167	17.16596796640894	16.82506316232304	16.429212857015695	16.712555346688113	14.094492200317704	17.253678818020866	16.386653835547296	15.867046738524525	16.02938831	NA	17.570497675575645	17.170614545387018	15.310027124993912	16.56446926230415	16.36287260936517	17.379683466846636	15.368599521732866	15.573444314048714	15.364139929514025	15.56041977114842	16.385270600306413	14.793270637256912	13.595114843604557	15.370746769797012	15.98506324659195	NA	16.05976076287279	14.376592952428314
Imidazoleacetic acid	18.503588531069603	18.379930715467317	19.354491637426474	18.83771099112655	19.348510077559176	20.069819547650177	18.48052592248643	19.976456421563864	19.681207487991163	18.600058638549637	20.313232061752263	20.143760346957045	18.935640056955695	18.64069431	19.574738614792164	18.736944904925206	19.081076922282776	19.13991464519243	19.430835245723404	19.071366875062758	19.628741241961407	19.27046781879519	19.93959807891926	19.115334053499463	18.756772128511212	19.84897900663149	19.833417023627124	18.885848867230496	17.611023977275718
Indole	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Inosine	14.16732293680048	14.71597686156689	15.095428622780934	14.883662776404822	15.47525451392004	14.74360815727309	14.120360150454847	16.52558414838559	14.663566479147786	13.76361352515316	13.777732528313752	16.98213265436428	16.65576261419288	12.648881556605065	12.271200390318144	14.696509800592029	17.18134606437972	15.04357551154192	13.616718723857772	13.432901137912044	14.095058595630183	14.030162150365575	14.488015657695755	13.759238391197057	13.596839395238723	14.595053290179125	14.409158950884157	14.339912189715257	12.90250645
Isovalerylcarnitine	14.875380746333239	14.710786278352222	14.684710018333456	15.053539951082895	14.57263804904662	14.282825817998875	15.572110852898819	15.24479609441135	14.149462744593077	13.798298529518114	14.499138143692536	15.334058163009495	13.979152028681952	13.507157926147984	16.77974920896426	15.076566123287236	15.57831792915756	13.10624674923194	14.030075652855874	15.099286497565567	14.459028414789826	13.926621085507337	13.594810337743512	14.72547335	14.625115302981477	14.756669831014289	14.588876479792937	15.240549482171417	14.899917400513464
Isovalerylcarnitine-d9	28.19192718982505	28.157646601835186	28.20440094399901	28.192864688941455	28.217443630880258	28.25144610256222	28.194641410192695	28.166654772227808	28.19081137423039	28.186743518284846	28.203936238084754	28.220378373540672	28.18437637	28.244927726026674	28.216460220796634	28.15859126863189	28.178932826547037	28.204197441125654	28.230781856302777	28.056142490945923	28.158162139651573	28.15199696581307	28.110124002186645	28.18985529	28.155707875939903	28.190933179759373	28.206051186285826	28.200882015092578	28.10817078129545
Kynurenic acid	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Kynurenine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Leucine	17.720919402909065	17.094361326865258	16.80708526010287	17.546456581902135	17.216847969273324	16.727619514093266	18.06462958	18.25732709	17.25888583121548	17.474202872381255	17.45673594444586	17.78160123	17.57382998563851	16.753427780645733	18.915990690318733	17.85843969083688	18.06826879603301	16.846005923929763	17.13434326533527	18.14968422578748	17.825289859547585	17.16039218562278	16.98946212518837	17.564870972945602	17.19451224368717	17.353087022084754	17.28632264928963	18.06090114784824	16.54214901952685
Leucine-d3	27.29262323479989	27.243402535636697	27.464000829595552	27.35479649588383	27.427865609079014	27.516242444160962	27.29920494186443	27.53098596067071	27.483705599242775	27.333880981648505	27.537973220597863	27.511973063399633	27.368796277900074	27.36769913947281	27.485422962013764	27.389083113883515	27.445823883158766	27.425445251415688	27.47221229133769	27.257631225451853	27.502537835059847	27.466184002082958	27.384422965446323	27.444598177274017	27.37900664468479	27.496525472485793	27.510415237108905	27.393771060774437	26.60648864162695
Linoleyl carnitine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
LPC(18:1(d7))	27.034291375025344	26.979772543005794	27.11640562636024	26.99294325253128	27.011566642512346	27.016936384030668	27.089745060437412	27.058090343210452	26.978145431584018	26.95407461661559	27.115688085046656	27.084088490346844	27.01061439941912	26.970714574009776	27.060855768155957	27.02946056948586	26.969892793006508	27.022830713333978	26.99077722133581	26.833471536581992	26.987310500989953	26.917697610515404	26.870682244670054	26.998571871557573	26.97926073590329	26.922131869330745	27.045795682300835	26.937462056668245	26.85619277991735
Lysine	17.70334987929512	16.645652969299444	16.287640919265485	16.41979816390562	16.084345461057357	15.801487339609459	16.389829298866726	15.86025749563935	15.26553163	16.04276217510664	15.145130936294978	15.981517501422912	16.14011082265718	15.148053558907504	16.484011027418024	15.986514381430577	15.81136551	14.258933594627042	14.839500371006297	16.60208265788786	15.756917138538276	15.031138069869119	15.373796637692406	14.756467194233924	15.624488243613765	15.640552675436366	15.482177144118515	16.226557511647965	16.20943859
Mannitol	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Mannose	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Melatonin	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Methionine	14.750498261382178	14.692978407851317	14.85062419271545	14.412677891447704	14.792506240830468	14.207598688055434	14.750802437059226	14.330263082888502	14.768498451329663	14.207597841297867	14.877955429400401	14.621361469775309	14.722054472297755	14.537671003128317	14.810075743000299	14.764263486949142	14.722122408496274	14.405127319311184	14.296006792842896	13.981238352176845	14.28776013195922	14.558238842927357	14.078150807728061	14.40015103430886	14.26805441622217	14.98518566563026	14.418142774307816	14.778414735343809	14.632862436744471
Methionine S-oxide	13.217221743244046	12.806352340945251	12.298398456136985	12.596129796381069	11.963792073050152	12.051969059353617	12.659822874768201	13.885964925406622	12.46163134499481	NA	12.486901290046134	13.514870802819692	12.868116967838098	12.938841908896153	12.60421916617348	13.446772425893503	11.917571164406445	12.001985500718158	NA	13.253311115439864	13.328996489420014	11.981495964163507	11.850294333580388	12.553847859003033	11.939146254430415	12.355727702004254	13.088682633766933	12.84595053274221	12.548861770928585
Methionine-d3	23.17961505929578	23.12481156538569	23.183423044152313	23.120434614077467	23.182428722340973	23.20454750002942	23.09096048388285	23.224599438556513	23.18338787565891	23.123479851838365	23.19871856767362	23.19929642765682	23.167875686753856	23.196656269154364	23.240629682138028	23.15085450727558	23.178294360784147	23.15955755477831	23.18983868	23.003964807960283	23.18653230008174	23.164880268467307	23.096372635705656	23.19331990518476	23.193282257232596	23.22678276062752	23.20798022131862	23.163982819152515	23.112601097272677
Methylcobalamin	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Myristoylcarnitine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Myristoylcarnitine-d9	26.10109637842314	26.02177744443934	26.02697648867966	25.96422479104348	26.119156930163996	26.142020787277005	25.936909665050425	26.13398575971256	26.118619922253675	25.986456990607056	26.005798354695642	26.044763269687593	26.04561852760299	26.027760518510515	25.912664811632805	25.945461514796264	25.977255931703027	26.036914598570892	26.010788114020723	26.013587972037516	25.9790653	26.039103834554005	26.06978423963095	26.007768926394427	26.006155703560793	26.07738708	25.987707392287437	26.03533004573836	26.008564922094855
N-Acetylalanine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
N-Acetylaspartic acid	20.448901070502714	20.39967548218536	20.35833271364302	20.47498118586747	20.565524811563797	20.492869075901755	20.52352797885853	20.586739668655312	20.191465704157153	20.40202464888944	20.44702588572129	20.252535170870292	20.50854145695518	20.371970655241626	20.642891063904866	20.423772640240696	20.311862736787727	20.19376054396404	20.32533032108147	20.501648788211458	20.594969126153053	19.624953214911752	20.34869512873104	20.37839839630643	20.21341456823302	20.34398321917666	20.405389038181703	20.328538338964783	20.082278159618987
N-Acetylcysteine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
N-Acetylglutamic acid	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
N-Acetylneuraminic acid	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
N-Acetylputrescine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
N-Acetylserine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
N-Alpha-acetyllysine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
N,N'-Bis(gamma-glutamyl)cystine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
N1-Acetylspermidine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
N1-Acetylspermidine-d6	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
N1-Acetylspermine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
N1-N12-Diacetylspermine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
N1-N8-Diacetylspermidine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
N1-N8-Diacetylspermidine-d6	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
N15C13-Glycine	19.82384715487633	19.509445773862574	19.630127527395285	19.63684616698314	19.54824533234505	19.700384189942866	19.54751787	19.61131529	19.650021140636603	19.493328508350444	19.61998026320105	19.596806668782268	19.564036244227278	19.652473869209633	19.540608578390664	19.57229672007966	19.524121859005405	19.56093901219394	19.570822376263703	19.533506671438733	19.611898442385563	19.580727546747685	19.64093122644242	19.597249239154667	19.588796248102803	19.576074440575773	19.62081640970659	19.62298996704193	19.468036528965403
N6,N6,N6-Trimethyllysine	18.04267273469967	17.005581858567254	16.96681159819445	17.053845840130194	16.431072993111034	15.94987202589919	17.48034891403248	17.27682754476374	16.626169520319444	17.547869384287875	15.787103129196693	17.029228939218086	17.040563895376494	16.027704418386946	17.408600261985928	16.912014518909128	16.93781945777911	15.785542820777637	16.175680008614282	17.795533838499072	17.37551555036239	16.224485883891248	16.29463604719879	16.10404741807553	16.41673041476104	16.98263165002811	15.393823980891204	17.13581363	17.17106261042046
NAD	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Niacinamide	18.002267679059408	17.646778007022593	17.642899281123533	17.928061832313027	18.066448202833396	16.962992403705144	17.898035077673878	19.11609618396807	17.49243335016466	17.144995053745486	15.324650200354457	18.929623225032735	17.764970710486004	16.791474393457676	19.09343204428754	17.88873284666844	19.29145741588962	16.766810834896035	18.024615181909503	17.333938122952333	16.976075072430692	17.79580517583075	16.516720061819605	16.496277694229633	16.44230588346905	18.40920478108533	16.28062710765184	17.72982492375163	15.713189686998188
Niacinamide-d4	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Nicotinamide mononucleotide	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Nicotinamide riboside	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Nicotinic acid	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Nitrotyrosine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Nonanoylcarnitine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Norepinephrine	13.840558122691126	13.415532819378733	14.201717191056973	14.097893780345444	13.807141175419877	14.141351353999019	13.436323255174589	14.38839203577153	13.587663738925782	13.461240587149792	14.772117773019865	14.11100012599909	14.025661068956838	13.68007793735634	12.85405152709919	13.274050924490792	13.806694010128904	14.565254231630782	14.193809768031663	14.794587545548506	13.507819896960235	13.761368851868601	14.979936168952213	13.829307128748201	14.087547875522398	13.805865802365778	13.900587561107036	14.785147232722396	13.805802780620382
Octanoylcarnitine	17.054534377175464	17.285542659971536	17.33036106192944	16.984716734466513	16.693572130580684	16.432402793820444	17.241020661701587	16.719119569761883	16.88183446568302	16.546489329436923	16.437894853082497	17.09401128063108	16.438110085795625	16.661041915452266	17.26626878367068	16.716849746732784	17.013542069036234	16.566317448207617	17.008618457694876	17.64413025656774	16.806553437355035	16.889190407694688	16.69579844000993	16.49904448384354	16.75342795468545	17.00385841081162	16.28469753481663	16.375086369204254	16.644765942048096
Octanoylcarnitine-d3	27.37666245653872	27.30506815057369	27.40864377051349	27.42557994694404	27.439233356839956	27.499783294145967	27.24923680929351	27.273427675911364	27.381498223540124	27.25405170190478	27.30475277021732	27.252619655036316	27.270852004388775	27.31056729829622	27.31284138912101	27.291203788908245	27.254263066891845	27.527778481990577	27.297092643657383	27.196794161949832	27.26258483936655	27.330718176855253	27.280413778192795	27.28928059204009	27.310056792685153	27.287944395756686	27.31517911144387	27.317761191851403	27.18419936429872
Ornithine	15.686908206626576	14.767890773058086	13.946421788878848	13.962727787223024	13.686330661565966	13.322303115515428	13.205331142313627	12.575092670200021	13.900243559825809	13.486228011282483	14.718308326431517	13.69563834647929	12.672681393832923	13.508689019516707	16.745766392582777	15.26286304563388	13.972540171440299	12.080243073946521	12.511756707032383	14.514689737723751	13.577110495925526	12.620296083320504	11.91971277986579	13.642032835666052	13.516740581740407	13.147741058245115	14.531158189807197	14.461754499907917	14.645224018301432
Ornithine-d2	22.384137865649276	22.56109953049755	22.55697644707262	22.868279845513708	22.719537660680167	22.81473081416146	22.71762875911599	22.739475750539253	22.789319081781507	23.060111777501128	22.732765470682203	22.66701171836958	22.908971582475512	23.011379230348833	23.028913067613292	23.082565670908135	23.04254474644885	23.06676182855222	23.10223253470835	23.113680055157957	23.12126155106361	23.08308297525358	23.012125751828496	23.10738949755962	23.235983642482278	23.100489524187307	23.032213249886226	23.168934317265077	23.531395697616215
Palmitoylcarnitine	15.191634620428362	14.057777274641294	13.949533708898688	15.913528581191935	13.981653319047942	15.658600551668094	15.347833438592374	15.098267846190678	15.666595258094675	14.550890070562803	14.60933450207689	14.882222444441886	14.45108818433534	14.331468276157619	16.282344909996738	15.43402510792255	15.053325326423629	13.87408057241706	14.391513608287767	15.448460302387788	14.483620584432131	14.812697134112408	14.404721412651401	16.12921474521018	13.405992179878481	16.252404369511716	14.626739175815926	14.996849655586225	14.28660330147302
Palmitoylcarnitine-d3	25.12797460774381	25.108211721202554	25.169249685398132	25.098872343613362	25.170829733359952	25.224966397702953	25.04346920482061	25.066951520200575	25.103837587454738	24.95555044950941	25.098293252754956	25.06175942911732	25.10823850196443	25.072774916370182	25.094254297364717	25.07620797730169	25.00509870633524	25.066197491149328	25.09507538195256	24.953448821376398	25.047740313877394	25.100138847871246	25.039152756686924	25.048502593944104	24.998437383849907	25.094884344171074	25.150899174114215	25.040782731251035	25.000614258222484
Paraxanthine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Phenylalanine	18.694315766469664	17.57274262	17.636148955801048	17.937306902763847	17.551428521478392	17.038379217734693	18.93058309	18.75899117849839	17.607773102835477	18.47252985191611	18.248817597155657	18.252526779038405	18.45225385856452	16.815165007315088	19.89819695990639	18.700300799639326	18.276181481934508	16.509356547438514	17.430871611505793	19.23251841245537	18.60764877	17.34558224012195	17.231927877002594	17.91280699202132	17.876078981732032	17.84582048223067	17.92474796	18.715250972661355	17.176869936803104
Piperanine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Piperine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Pipernonaline	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Piperyline	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Proline	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Propionylcarnitine	17.768663598682167	17.858951851670103	17.518895490605157	18.23004554516977	17.42457726457905	17.350258176523006	18.179672094206996	17.598041412222234	17.57471963619205	16.958494409495856	16.74610644580124	18.226728602101602	17.02935662	17.462616374919932	18.50286507	17.77064780296091	18.242145091713304	17.26348933139263	17.582292978353685	17.447748037530488	17.305210690314205	17.420390969108045	16.98093690978077	17.753310718380042	17.18388322167488	18.178242300517425	16.67064292139351	17.665361399783055	17.257815763164306
Propionylcartinine-d3	27.881791687406103	27.867837827219915	27.87186654510036	27.854762028504865	27.903589187092045	27.87210076754671	27.83133091919535	27.888812009396364	27.88511464	27.820884867711396	27.903000590502714	27.90655702393185	27.856651672925295	27.873472068122037	27.890964184253487	27.86444232	27.85516025652687	27.833049341675117	27.83859411749068	27.842990341849706	27.849567060686816	27.824858374328606	27.86361667317862	27.842145857748722	27.812873600000493	27.872956718947894	27.86901864267373	27.797466960818134	27.759064472658277
Putrescine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Pyridoxamine	16.770851701428366	16.877107464638538	17.036713197451874	16.64290817	16.872199294587542	16.909778937695815	17.16428472	16.876006125730868	16.961027928959428	16.457854746149714	16.663749530469087	16.671151268809314	17.15079502123068	16.41944545719545	16.44080438272598	16.615640504641842	16.60309589171671	16.663874017779886	17.195531669594708	16.878408623417766	16.649316895633657	16.64819613392695	16.6299999	16.729030395243832	16.783617187350963	16.31507009	16.729936960094854	16.478239740833324	16.613636730949334
Pyroglutamic acid	21.031087344187405	19.72178425307336	19.68955689410325	20.11814740734795	19.141417028057965	19.49151468228407	21.010402005184396	21.240445888850086	19.839196477828065	19.125290582056522	21.157000735174844	21.00793836912146	19.423245210309176	19.536357967716633	22.735358225572092	21.06666896152675	20.192594769464435	18.703068731944494	19.784023505677347	21.250657051810798	19.544810875112727	18.386301699855103	18.382989154639535	20.82894052122298	20.24532304933756	19.545951831721165	21.06887924	21.00143192152905	20.29061675534026
S-Adenosylhomocysteine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
S-Adenosylmethionine	17.190430750832245	18.209431603951526	17.903612053105427	17.725597	17.88470831371839	15.372626931984712	19.272734672326905	18.41436867797366	17.109616519645527	19.16834510070418	16.58166291066007	18.49856281	18.715521750375938	17.49882255973777	18.177995789515563	18.977687168068165	18.810928312737385	17.662802004909718	17.655881739224732	20.433843513587114	19.616301091384774	18.07432485144493	17.52520040497399	16.966364396008682	18.817068377433948	18.233057987170305	16.407609286096317	19.154586682146263	20.20352323408698
Sarcosine	13.164743251837857	13.626864233835086	12.490866656492253	12.915373223090484	12.570300767298281	12.831550513491667	14.397312740367065	13.878942059386992	13.455125979874413	14.360589702805568	NA	13.778238391560976	13.93949054878213	NA	13.668923852434682	13.814501883091635	13.662874449971335	12.051986697959673	13.440164981738263	15.688352244114812	14.080242055263449	12.585477847792667	13.702971562158506	NA	NA	12.735718588222452	12.20920908658852	14.259010302079012	14.459574120330883
Serine	16.477861895447827	15.923909810661586	16.068790536560428	15.20255977969368	15.218587973273033	15.025398472529135	16.414402573284057	15.799463619778436	14.738377918689915	15.886834393081156	15.67713315385886	16.490689519071275	15.753882055815488	14.98559449	17.793880990867855	16.38814157	16.308550236782615	14.73671646158938	14.983053731327212	16.820695489907592	15.452665859462869	14.714242538321454	14.870683316228986	15.386649309098047	15.596743199635661	14.858850754559112	15.987775831071604	16.31147253	15.676005197416792
Serotonin	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Spermidine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Spermine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Stearoylcarnitine	15.270329056009343	15.230943816212507	14.83044342	15.769991771763028	14.305030975112068	15.537151634261823	14.98633654927152	14.75389638678343	15.43328702349707	14.44160880964316	16.036272161419692	15.648576016509917	14.286602140302103	13.87078392306265	15.718169002755412	14.977561141832467	15.512087672604196	14.497278030682176	14.595607140608731	15.52931642267121	15.310627052665398	15.109603351114304	14.70927864995735	16.066376590573554	13.521696119361057	15.911447086346781	14.737957091842711	15.30103108890966	14.417219802534841
Sucrose	22.194774413506654	19.98821777567629	24.490927482256502	21.522126725894353	20.94151992577741	20.413415753080635	23.105914829184876	26.515532981364053	21.600242259210788	20.14823191	23.24395215978659	22.667139753728147	20.561467284108936	20.282429870164517	22.932903773951352	22.447874293719902	22.324074326632243	19.963926220323998	19.681290637421075	22.78920156467674	21.44405794	19.935559634037205	19.990892378482837	23.457103734803297	20.59254020619336	20.69340595029825	21.966167643914844	22.417519764526883	21.904661919885204
Taurine	23.018537247460188	22.967032079182477	23.88905939150687	23.279254681245593	23.81136075090847	24.634080725460944	23.04842005675611	24.498134420148048	24.21409694224033	23.199814	24.89589607565214	24.616931341573828	23.444608003629842	23.335519701857603	24.132921294416693	23.448753512127052	23.639816261545572	23.598071040305637	23.83789731388961	23.56152673824326	24.16296562145127	23.808896878556848	24.534049493179758	23.67679776991848	23.401826181005006	24.340149209671097	24.431225640806705	23.496859929884952	21.83439109
Tetrahydrocurcumin	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Theobromine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Theophylline	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Thiamine	11.517268598360147	11.96671363129216	NA	12.04447073845219	12.044945770164844	11.383802992890722	12.636326535204558	12.152847254365431	12.935313002834857	12.24807578111116	12.325998232563201	12.285230672068703	11.248075809122778	12.597053907901904	12.93613081	12.326069576039693	13.162842596732528	NA	12.663099880922617	13.689610442847368	12.936131802854039	12.247626279585957	NA	13.599423828531027	11.984453147186697	12.389243555617789	NA	13.03234709273348	10.885505680904243
Threonine	14.471270819479233	13.54328029394651	12.87709005506391	13.327025136065462	12.783027439060808	12.922429216083827	13.44755427677447	13.88260502143603	13.340953661737286	13.200214161366253	13.71437371444469	13.845302212226482	12.267286115121623	13.06475385544961	15.005417650987477	13.555240908307066	12.45830644557612	NA	11.34230289587512	14.111999344299985	13.165613637364793	12.96259846422409	13.326078304325613	12.50541560527115	12.720297298891342	13.74964331064747	13.417905638731611	12.851401003793804	13.47621218549226
Trigonelline	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Trimethylamine-d9 N-oxide	27.338937065140453	27.324095384449418	27.353112732034752	27.33889473802184	27.370134453506825	27.332784896050615	27.29196043112212	27.35414167254354	27.358008236005197	27.318829603995628	27.357370583122705	27.327674134946836	27.328316438754495	27.320769403198497	27.312906291698145	27.319950829992298	27.320056966684824	27.292128881041386	27.328015050540543	27.33957906798232	27.335913181647815	27.29750238306234	27.375024462052586	27.28397095284962	27.298957089789997	27.328804101245325	27.29771917934276	27.285908359596583	27.293684725582246
Trimethylamine-N-oxide	17.476101631139795	17.21150219	17.52949764844393	17.64028274706613	17.268903941790313	17.306214924149785	17.335597192636293	17.142441551485838	17.34008383437222	17.411356511266202	17.07632615564186	17.41725528320483	17.163273691653355	17.316947872209152	17.715190026218536	17.416489477469568	17.403417744739123	17.037950273453603	17.37516163337256	17.363593880657092	17.598986636927062	17.384927399711227	17.414240722757135	17.523237294749826	17.436975983524263	17.410931013075825	16.683374289624105	17.38071645358941	17.421926814685804
Tryptophan	15.052675632556669	13.542081862125565	12.341698877662019	13.487536151539409	12.959757135900642	12.792510399928709	13.969535292416563	15.335444996555102	12.980586135502055	13.716744343607195	14.558542795401392	14.202443495361155	13.424822937659146	13.431542578750157	16.593939891167626	14.944768537437348	14.291150117664909	12.37478522235185	12.59651239847551	15.189515094724943	13.78409877730921	13.34545612563995	NA	13.909465015977123	13.604078525849587	13.631607833534156	14.978908513146765	14.795997413896432	12.397568450706471
Tyrosine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Uracil	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Ureidopropionic acid	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Uric acid	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Uridine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Valerobetaine	19.233799096816558	18.267694987108765	19.396699654678066	19.67848759196121	19.045138272604813	18.395748075371827	20.16460755853803	18.599553580760627	17.774313653217046	19.64704993	16.470827464146904	19.41293919225296	19.580016365228797	17.50828869576348	20.332964066520333	19.312112643745994	20.005778894924635	18.580468437949268	17.304266637590818	20.181273423534407	18.209896523231915	19.19608227845664	18.490101487150078	18.949217576374803	17.085093640473513	18.635477021908976	16.85758218475904	19.15849383722197	17.400736499278292
Valerobetaine-d9	25.995014325946322	25.952501411299597	25.994456428956383	26.01534812889487	26.02842664632914	26.020378567437632	25.97423790695906	26.014980962348407	26.027597217142617	25.95926540095608	26.074425100908982	26.023542780035378	25.994978790206208	26.00596407907255	26.052770340890635	26.03685373658489	25.98897387349746	26.026190108212166	26.065569883160034	25.927124465827454	26.026681008820006	25.990042914434348	26.027130296527282	26.030914388750734	25.99788671823839	26.063608263316535	26.084646258334377	26.00913276618143	25.95545391719377
Valine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Valine-d8	23.018537247460188	22.967032079182477	23.88905939150687	23.279254681245593	23.81136075090847	24.634080725460944	23.04842005675611	24.498134420148048	24.21409694224033	23.199814	24.89589607565214	24.616931341573828	23.444608003629842	23.335519701857603	24.132921294416693	23.448753512127052	23.639816261545572	23.598071040305637	23.83789731388961	23.56152673824326	24.16296562145127	23.808896878556848	24.534049493179758	23.67679776991848	23.401826181005006	24.340149209671097	24.431225640806705	23.496859929884952	21.83439109
Xanthine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Xanthosine	18.950921677296776	18.92771740552729	18.864210737592014	19.000456465421436	18.947723163098086	19.004119029116094	18.828304983485403	18.83092961763884	18.836428418074547	18.834361715707825	18.92234408645054	18.918321019649948	18.814572693127744	19.043409735922634	19.105860727674063	18.87813198949658	18.843192167027304	18.907533922331574	18.99638782216611	18.955663567085708	18.887983645987774	18.986596894441043	18.83092282609428	18.869956137318926	19.03895885	18.921999061333725	19.10974227402501	18.83012040945353	18.58531935551724
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	internal standard	Expected RT	precursor (m/z)	product (m/z)
1-Methylhistidine	Arginine-d4C13	6.61	170	124
1-Methylnicotinamide	6C13-Phenylalanine	4.31	137	94
1-Methylxanthine	13C5-Hypoxanthine	2.9	167	110
1-Methylxanthosine	13C5-Hypoxanthine	2.79	299	167.1
1,3-15N2-Uric acid	NA	5.29	171.1	143
13C10,15N5-Adenosine	NA	4.09	283	146.1
13C3-Thiamine	NA	5.09	268	122.1
13C5-Hypoxanthine	NA	3.94	142.2	124
13C5-Xanthosine	NA	4.72	290	153
15N4-Inosine	NA	4.37	273.1	141
2-Aminobenzoic acid	6C13-Phenylalanine	1.05	138.1	92
3-Hydroxy-N6,N6,N6-Trimethyllysine	Arginine-d4C13	6.77	205.2	128.1
3-Hydroxybutyric acid	Methionine-d3	1.3	105	87
3-Hydroxykynurenine	6C13-Phenylalanine	0.95	225.1	179.1
3-Hydroxytyrosol	13C5-Hypoxanthine	3.71	137.1	119
3-Methoxytyrosine	Methionine-d3	5.32	212.1	166.1
3-Methylxanthine	13C5-Hypoxanthine	3.1	167	69
3-Methylxanthosine	13C5-Hypoxanthine	2.98	299.1	167.1
4-Hydroxyproline	6C13-Tyrosine	5.9	132	68.1
4-Trimethylammoniobutanal	Arginine-d4C13	6.86	130.1	71.1
5-Glutamylalanine	6C13-Phenylalanine	7	219.1	90.1
5-Hydroxyindoleacetic acid	6C13-Phenylalanine	1.6	192.1	146.1
5-Hydroxytryptophan	Methionine-d3	4.9	221.1	175
5'-Methylthioadenosine	6C13-Phenylalanine	2.82	298	136
6-Aminouracil	6C13-Phenylalanine	4.3	128	85
6C13-Phenylalanine	NA	4.92	172.1	126.1
6C13-Tyrosine	NA	5.25	188.1	142.1
7-alpha-Hydroxy-3-oxo-4-cholestenoate	6C13-Phenylalanine	1.52	431.3	395.3
7-Methylguanine	6C13-Phenylalanine	4.32	166.1	124.1
7-Methylguanosine	6C13-Phenylalanine	5.48	298	166
7-Methylxanthine	13C5-Hypoxanthine	3.3	167.1	69
7-Methylxanthosine	13C5-Hypoxanthine	3.2	299.2	167.1
8-Hydroxy-deoxyguanosine	6C13-Phenylalanine	5.18	284.1	140
8-Oxo-deoxyguanosine-13C,15N2	NA	4.8	300	168
8-Hydroxyguanosine	6C13-Phenylalanine	4.93	287.3	171
9-Hexadecenoylcarnitine	Palmitoylcarnitine-d3	3.12	398.3	85
Acetylcarnitine	Acetylcarnitine-d3	4.08	204.1	85
Acetylcarnitine-d3	NA	4.24	207.1	85
Adenine	13C5-Hypoxanthine	4.05	136.1	119
Adenosine	6C13-Phenylalanine	3.86	268.2	136.1
Adenosine diphosphate ribose	Arginine-d4C13	7.31	560.1	136.1
Adenosylcobalamin	6C13-Phenylalanine	6	801.5	676.3
AICA-riboside	6C13-Phenylalanine	4.43	259	110
Alanine	Alanine-d4	5.68	90.1	44.2
Alanine-d4	NA	5.68	94.1	48.1
alpha-Tocopherol	6C13-Phenylalanine	0.81	431.4	165.1
Arabitol	6C13-Phenylalanine	5.05	153.1	153.1
Arginine	Arginine-d4C13	6.86	175.1	70
Arginine-d4C13	NA	6.85	180.1	75
Ascorbate	13C5-Hypoxanthine	3.8	177	95
Asparagine	N15C13-Glycine	6.29	133.1	74
Aspartic acid	Aspartic acid-d3	6.33	134	74
Aspartic acid-d3	NA	6.46	137	75
Asymmetric dimethylarginine	N15C13-Glycine	6.35	203.2	70.3
Betaine	Betaine-d11	4.88	118.1	59.1
Betaine-d11	NA	4.92	129.1	68.1
Bilirubin	6C13-Phenylalanine	1.01	585.3	299.1
Butyrobetaine	Carnitine-d9	4.3	146.1	87
Butyrylcarnitine	Butyrylcarnitine-d3	3.7	232.2	85
Butyrylcarnitine-d3	NA	3.83	235.2	85
Cadaverine	6C13-Phenylalanine	7.21	102.9	86.1
cADPRibose	Arginine-d4C13	7.4	542.1	136.1
Caffeine	6C13-Phenylalanine	1.26	195.1	138
Capsaicin	6C13-Phenylalanine	1.28	306.2	137.1
Carnitine	Carnitine-d9	4.94	162.1	103.1
Carnitine-d9	NA	4.95	171.2	85
Choline	Acetylcarnitine-d3	4.12	104	60
Citrulline	Citrulline-d2	6.36	176.1	113.1
Citrulline-d2	NA	6.21	178.1	115.1
Cotinine	6C13-Phenylalanine	1.77	177.1	80
Creatine	Alanine-d4	5.57	132	90
Creatinine	6C13-Phenylalanine	4.27	114	44.1
Creatinine-d3	NA	4.33	117	86
Curcumin	6C13-Phenylalanine	1.01	369	177
Cyanocobalamin	6C13-Phenylalanine	6.09	678.5	997.5
Cystathionine	6C13-Phenylalanine	7	223.1	134
Cysteine	Alanine-d4	5.65	122	76
Cysteinylglycine	6C13-Phenylalanine	6.86	179.1	162.2
Cystine	Arginine-d4C13	7.25	241	74
Cytosine	6C13-Phenylalanine	4.94	112.1	94.9
Decanoylcarnitine	Octanoylcarnitine-d3	3.45	316.2	85
Demethoxycurcumin	6C13-Phenylalanine	1.31	339.1	255.2
Deoxyadenosine	13C5-Hypoxanthine	3.67	252.1	136
Deoxyguanosine	6C13-Phenylalanine	4.67	268.1	152
Deoxyinosine	13C5-Hypoxanthine	3.6	253	137
Dimethylethanolamine	6C13-Phenylalanine	4.25	90	72
Dimethylglycine	Alanine-d4	5.5	104	58
DNL201	6C13-Phenylalanine	1.08	340.3	313.2
Dodecanoylcarnitine	Isovalerylcarnitine-d9	3.85	343.3	85
Dopa	Alanine-d4	5.62	198	152
Dopamine	6C13-Phenylalanine	4.72	154	137
Dopamine 3-o-sulfate	13C5-Hypoxanthine	3.7	234	137.1
Dopamine 4-o-sulfate	13C5-Hypoxanthine	3.9	234.1	137.2
Epinephrine	6C13-Phenylalanine	4.92	166	107
Ergothioneine	Methionine-d3	5.5	230.1	127
Ethanolamine	Methionine-d3	5.23	62	44.2
Formylanthranilic acid	6C13-Phenylalanine	1.3	166	120
gamma-Aminobutyric acid	6C13-Phenylalanine	5.08	104.1	87
Gamma-Glutamylcysteine	6C13-Phenylalanine	6.46	251.1	122
Glucosamine	Glutamic acid-d3	6.45	180	162
Glucose	6C13-Phenylalanine	4.95	202.8	202.8
Glutamic acid-d3	NA	5.91	151	133.1
Glutamic acid	Glutamic acid-d3	5.92	148.1	84
Glutamine	Glutamic acid-d3	6.05	147.1	84
Glutathione	Glutamic acid-d3	6.01	308.1	179.1
Glutathione disulfide	Arginine-d4C13	7.48	613.2	355.1
Glutathione-(glycine-13C2,15N)	NA	6.3	311.3	182.1
Glycerophosphocholine	N15C13-Glycine	6.04	258.1	104
Glycine	N15C13-Glycine	5.89	76	30
Guanine	6C13-Phenylalanine	4.72	152.2	110
Guanosine	6C13-Phenylalanine	5.09	284.1	152
Hexanoylcarnitine	Propionylcartinine-d3	3.47	260.2	85
Histamine	N15C13-Glycine	6.47	112.1	95
Histidine	Arginine-d4C13	6.93	156.1	110.1
Homocysteine	Valine-d8	5.04	136.1	90.1
Homoserine	N15C13-Glycine	5.84	120.2	56.2
Hydroxybutyrylcarnitine	Carnitine-d9	4.58	248.2	85
Hydroxyhexanoylcarnitine	Carnitine-d9	4.5	276.2	85
Hydroxyisovaleroyl carnitine	Carnitine-d9	4.22	262.2	85
Hydroxypropionylcarnitine	Propionylcartinine-d3	4.9	234.1	85
Hypoxanthine	13C5-Hypoxanthine	3.7	137.2	118.8
Imidazoleacetic acid	Alanine-d4	5.3	127	81
Indole	6C13-Phenylalanine	1	118	91
Inosine	6C13-Phenylalanine	4.32	269.1	137
Isovalerylcarnitine	Propionylcartinine-d3	3.58	246.2	85
Isovalerylcarnitine-d9	NA	3.7	255.2	85
Kynurenic acid	6C13-Phenylalanine	4.27	190.1	116
Kynurenine	6C13-Phenylalanine	4.81	209	146
Leucine	Leucine-d3	4.73	132.1	86
Leucine-d3	NA	4.73	135.1	89.1
Linoleyl carnitine	Palmitoylcarnitine-d3	2.96	424.3	85
LPC(18:1(d7))	NA	3.79	529.3	184.1
Lysine	Arginine-d4C13	6.93	147.1	84
Mannitol	6C13-Phenylalanine	5.44	183	69
Mannose	6C13-Phenylalanine	5.5	202.8	202.8
Melatonin	6C13-Phenylalanine	3.84	233.1	174.1
Methionine	Methionine-d3	5.03	150.1	104.1
Methionine S-oxide	N15C13-Glycine	6.04	166.1	74
Methionine-d3	NA	5.03	153.1	107
Methylcobalamin	6C13-Phenylalanine	6.04	673	971.5
Myristoylcarnitine	Myristoylcarnitine-d9	2.9	372	85
Myristoylcarnitine-d9	NA	3.15	381.4	85
N-Acetylalanine	Octanoylcarnitine-d3	1.8	160.1	72.1
N-Acetylaspartic acid	13C5-Hypoxanthine	3.41	176.1	176.1
N-Acetylcysteine	6C13-Phenylalanine	1.3	163	121.2
N-Acetylglutamic acid	Glutamic acid-d3	3.49	189	130
N-Acetylneuraminic acid	N15C13-Glycine	6.69	310.1	274
N-Acetylputrescine	Leucine-d3	4.89	131.1	114
N-Acetylserine	6C13-Phenylalanine	3.54	148	106
N-Alpha-acetyllysine	Alanine-d4	5.69	189	84
N,N'-Bis(gamma-glutamyl)cystine	6C13-Phenylalanine	7	499.1	453.1
N1-Acetylspermidine	N15C13-Glycine	6.5	188.2	171
N1-Acetylspermidine-d6	NA	6.5	194.3	106.2
N1-Acetylspermine	Arginine-d4C13	7.7	245.2	100.1
N1-N12-Diacetylspermine	N15C13-Glycine	6.1	287.2	100.1
N1-N8-Diacetylspermidine	N15C13-Glycine	4.93	230.5	100.2
N1-N8-Diacetylspermidine-d6	NA	4.69	236.2	103.2
N15C13-Glycine	NA	5.89	78	32
N6,N6,N6-Trimethyllysine	Arginine-d4C13	6.55	189.2	84.1
NAD	6C13-Phenylalanine	7	664.1	428.2
Niacinamide	6C13-Phenylalanine	1.78	123.1	80
Niacinamide-d4	NA	1.88	127	84
Nicotinamide mononucleotide	Valine-d8	6.6	335.2	123.1
Nicotinamide riboside	Alanine-d4	5.48	255	123
Nicotinic acid	6C13-Phenylalanine	1.87	124.1	78
Nitrotyrosine	6C13-Phenylalanine	4.78	227.1	210
Nonanoylcarnitine	Isovalerylcarnitine-d9	3.3	302.2	85
Norepinephrine	6C13-Phenylalanine	5.1	152	107
Octanoylcarnitine	Octanoylcarnitine-d3	3.31	288.2	85
Octanoylcarnitine-d3	NA	3.44	291.2	85
Ornithine	Ornithine-d2	6.98	133	70
Ornithine-d2	NA	6.98	135.1	117.2
Palmitoylcarnitine	Palmitoylcarnitine-d3	3	400	85
Palmitoylcarnitine-d3	NA	3.08	403.4	85
Paraxanthine	6C13-Phenylalanine	1.85	181.1	124
Phenylalanine	6C13-Phenylalanine	4.72	166.1	120.1
Piperanine	6C13-Phenylalanine	1.34	288.2	135.2
Piperine	6C13-Phenylalanine	1.04	286.1	201.1
Pipernonaline	6C13-Phenylalanine	1.3	342.1	229.2
Piperyline	6C13-Phenylalanine	1.39	272.2	201.1
Proline	6C13-Tyrosine	5.46	116	70.1
Propionylcarnitine	Propionylcartinine-d3	3.84	218.1	85
Propionylcartinine-d3	NA	3.84	221.2	85
Putrescine	N15C13-Glycine	6.3	89	72
Pyridoxamine	Alanine-d4	6.02	169	152
Pyroglutamic acid	Octanoylcarnitine-d3	3.03	130	84
S-Adenosylhomocysteine	N15C13-Glycine	6.35	385.1	136
S-Adenosylmethionine	Arginine-d4C13	7.13	399	250
Sarcosine	Alanine-d4	5.57	90	44.1
Serine	N15C13-Glycine	6.11	106	60
Serotonin	6C13-Phenylalanine	4.42	177	160
Spermidine	Arginine-d4C13	7.8	146.2	72
Spermine	6C13-Phenylalanine	4.95	203.1	129.1
Stearoylcarnitine	Isovalerylcarnitine-d9	3.02	428.4	85
Sucrose	6C13-Phenylalanine	5.97	364.8	202.8
Taurine	6C13-Tyrosine	5.17	126	80.1
Tetrahydrocurcumin	6C13-Phenylalanine	1.38	355	137.1
Theobromine	6C13-Phenylalanine	2.1	181	138.3
Theophylline	6C13-Phenylalanine	1.7	181.1	124
Thiamine	13C3-Thiamine	5.07	265	122
Threonine	N15C13-Glycine	5.86	120	74
Trigonelline	Methionine-d3	5.3	138.1	94.1
Trimethylamine-d9 N-oxide	NA	4.17	85	66
Trimethylamine-N-oxide	Trimethylamine-d9 N-oxide	4.07	76.1	58.1
Tryptophan	6C13-Phenylalanine	4.73	205	146.1
Tyrosine	6C13-Phenylalanine	5.4	182.1	136
Uracil	Palmitoylcarnitine-d3	2.47	113	70
Ureidopropionic acid	Palmitoylcarnitine-d3	3.24	133	115
Uric acid	1,3-15N2-Uric acid	5.28	169.1	141
Uridine	13C5-Hypoxanthine	3.91	245	113
Valerobetaine	Valerobetaine-d9	3.96	160	101.1
Valerobetaine-d9	NA	4.09	169.1	101.1
Valine	6C13-Phenylalanine	5.37	118.1	55
Valine-d8	NA	5.17	126	80.1
Xanthine	6C13-Phenylalanine	4.23	153	110
Xanthosine	6C13-Phenylalanine	5.03	285	153
METABOLITES_END
#END