#METABOLOMICS WORKBENCH Jung_DNLI_20250214_171815 DATATRACK_ID:5629 STUDY_ID:ST003737 ANALYSIS_ID:AN006132 PROJECT_ID:PR002323
VERSION             	1
CREATED_ON             	February 16, 2025, 11:41 am
#PROJECT
PR:PROJECT_TITLE                 	PILRA regulates microglial neuroinflammation and lipid metabolism as a candidate
PR:PROJECT_TITLE                 	therapeutic target for Alzheimer’s disease
PR:PROJECT_TYPE                  	Cellular studies
PR:PROJECT_SUMMARY               	The Alzheimer’s disease (AD) human genetic landscape identified microglia as a
PR:PROJECT_SUMMARY               	key disease-modifying brain cell type. A common loss-of-function coding variant
PR:PROJECT_SUMMARY               	in paired immunoglobulin-like type 2 receptor alpha (PILRA) associated with
PR:PROJECT_SUMMARY               	reduced AD risk, was found enriched in a cohort of healthy centenarians and
PR:PROJECT_SUMMARY               	rescued APOE4 AD risk, however the mechanisms underlying protection are
PR:PROJECT_SUMMARY               	undefined. Here we identify biological functions of PILRA, an immunoreceptor
PR:PROJECT_SUMMARY               	tyrosine-based inhibitory motif (ITIM)-containing receptor, in human
PR:PROJECT_SUMMARY               	iPSC-derived microglia (iMG) and chimeric AD mice. CRISPR-mediated PILRA
PR:PROJECT_SUMMARY               	knockout (KO) in iMG rescued ApoE4-induced immunometabolic deficits. Moreover,
PR:PROJECT_SUMMARY               	loss of PILRA confers a signature of metabolic resilience in microglia with
PR:PROJECT_SUMMARY               	increased mitochondrial capacity in tandem with elevated antioxidants, reduced
PR:PROJECT_SUMMARY               	ROS and toxic lipid species. Additionally, PILRA KO iMG exhibit improved
PR:PROJECT_SUMMARY               	lysosomal degradation, enhanced migration, and attenuated cytokine responses. We
PR:PROJECT_SUMMARY               	show PPAR and STAT1/3 act as master regulators that mediate downstream signaling
PR:PROJECT_SUMMARY               	and regulate PILRA-dependent microglial functions. Importantly, AD mice
PR:PROJECT_SUMMARY               	transplanted with human PILRA KO microglia showed reduced amyloid pathology and
PR:PROJECT_SUMMARY               	rescued levels of synaptic markers. Finally, we identify a high-affinity human
PR:PROJECT_SUMMARY               	PILRA-specific antagonist antibody that phenocopies PILRA KO. Together, these
PR:PROJECT_SUMMARY               	findings suggest a therapeutic approach to modulate microglial immunometabolism
PR:PROJECT_SUMMARY               	by inhibiting PILRA, thus identifying a pharmacologically tractable target for
PR:PROJECT_SUMMARY               	AD.
PR:INSTITUTE                     	Denali Therapeutics
PR:LAST_NAME                     	Suh
PR:FIRST_NAME                    	Jung
PR:ADDRESS                       	161 Oyster Point Blvd, South San Francisco, CA 94080
PR:EMAIL                         	suh@dnli.com
PR:PHONE                         	+1 6507973837
#STUDY
ST:STUDY_TITLE                   	PILRA regulates microglial neuroinflammation and lipid metabolism as a candidate
ST:STUDY_TITLE                   	therapeutic target for Alzheimer’s disease
ST:STUDY_TYPE                    	In vitro study
ST:STUDY_SUMMARY                 	The Alzheimer’s disease (AD) human genetic landscape identified microglia as a
ST:STUDY_SUMMARY                 	key disease-modifying brain cell type. A common loss-of-function coding variant
ST:STUDY_SUMMARY                 	in paired immunoglobulin-like type 2 receptor alpha (PILRA) associated with
ST:STUDY_SUMMARY                 	reduced AD risk, was found enriched in a cohort of healthy centenarians and
ST:STUDY_SUMMARY                 	rescued APOE4 AD risk, however the mechanisms underlying protection are
ST:STUDY_SUMMARY                 	undefined. Here we identify biological functions of PILRA, an immunoreceptor
ST:STUDY_SUMMARY                 	tyrosine-based inhibitory motif (ITIM)-containing receptor, in human
ST:STUDY_SUMMARY                 	iPSC-derived microglia (iMG) and chimeric AD mice. CRISPR-mediated PILRA
ST:STUDY_SUMMARY                 	knockout (KO) in iMG rescued ApoE4-induced immunometabolic deficits. Moreover,
ST:STUDY_SUMMARY                 	loss of PILRA confers a signature of metabolic resilience in microglia with
ST:STUDY_SUMMARY                 	increased mitochondrial capacity in tandem with elevated antioxidants, reduced
ST:STUDY_SUMMARY                 	ROS and toxic lipid species. Additionally, PILRA KO iMG exhibit improved
ST:STUDY_SUMMARY                 	lysosomal degradation, enhanced migration, and attenuated cytokine responses. We
ST:STUDY_SUMMARY                 	show PPAR and STAT1/3 act as master regulators that mediate downstream signaling
ST:STUDY_SUMMARY                 	and regulate PILRA-dependent microglial functions. Importantly, AD mice
ST:STUDY_SUMMARY                 	transplanted with human PILRA KO microglia showed reduced amyloid pathology and
ST:STUDY_SUMMARY                 	rescued levels of synaptic markers. Finally, we identify a high-affinity human
ST:STUDY_SUMMARY                 	PILRA-specific antagonist antibody that phenocopies PILRA KO. Together, these
ST:STUDY_SUMMARY                 	findings suggest a therapeutic approach to modulate microglial immunometabolism
ST:STUDY_SUMMARY                 	by inhibiting PILRA, thus identifying a pharmacologically tractable target for
ST:STUDY_SUMMARY                 	AD.
ST:INSTITUTE                     	Denali Therapeutics
ST:LAST_NAME                     	Suh
ST:FIRST_NAME                    	Jung
ST:ADDRESS                       	161 Oyster Point Blvd, South San Francisco, CA 94080
ST:EMAIL                         	suh@dnli.com
ST:PHONE                         	+1 06507973837
#SUBJECT
SU:SUBJECT_TYPE                  	Cultured cells
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
SU:GENOTYPE_STRAIN               	WT, PILRA KO
SU:CELL_BIOSOURCE_OR_SUPPLIER    	University of California Irvine
SU:CELL_STRAIN_DETAILS           	Induced pluripotent stem cells derived microglia cells
SU:CELL_PRIMARY_IMMORTALIZED     	no
SU:CELL_COUNTS                   	500,000
SU:SPECIES_GROUP                 	human
#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           	-	HSA-000033340	genotype:PILRAKO | treatment:LPS | Sample source:iPSC microglia	RAW_FILE_NAME(Met_Neg)=20230911_TW_HEX-000666_Met_Neg_002.mzML; RAW_FILE_NAME(Lipid_Pos)=20230908_TW_HEX-000666_Lipid_Pos_002.mzML; RAW_FILE_NAME(Lipid_Neg)=20230909_TW_HEX-000666_Lipid_Neg_002.mzML; cell_line=Line 2 MBJ; RAW_FILE_NAME(Met_Pos)=20230909_TW_HEX-000666_Met_Pos_002.mzML
SUBJECT_SAMPLE_FACTORS           	-	HSA-000033323	genotype:PILRAKO | treatment:Vehicle | Sample source:iPSC microglia	RAW_FILE_NAME(Met_Neg)=20230911_TW_HEX-000666_Met_Neg_003.mzML; RAW_FILE_NAME(Lipid_Pos)=20230908_TW_HEX-000666_Lipid_Pos_003.mzML; RAW_FILE_NAME(Lipid_Neg)=20230909_TW_HEX-000666_Lipid_Neg_003.mzML; cell_line=Line 1 DNLI; RAW_FILE_NAME(Met_Pos)=20230909_TW_HEX-000666_Met_Pos_003.mzML
SUBJECT_SAMPLE_FACTORS           	-	HSA-000033319	genotype:WT | treatment:Vehicle | Sample source:iPSC microglia	RAW_FILE_NAME(Met_Neg)=20230911_TW_HEX-000666_Met_Neg_004.mzML; RAW_FILE_NAME(Lipid_Pos)=20230908_TW_HEX-000666_Lipid_Pos_004.mzML; RAW_FILE_NAME(Lipid_Neg)=20230909_TW_HEX-000666_Lipid_Neg_004.mzML; cell_line=Line 1 DNLI; RAW_FILE_NAME(Met_Pos)=20230909_TW_HEX-000666_Met_Pos_004.mzML
SUBJECT_SAMPLE_FACTORS           	-	HSA-000033335	genotype:PILRAKO | treatment:Vehicle | Sample source:iPSC microglia	RAW_FILE_NAME(Met_Neg)=20230911_TW_HEX-000666_Met_Neg_005.mzML; RAW_FILE_NAME(Lipid_Pos)=20230908_TW_HEX-000666_Lipid_Pos_005.mzML; RAW_FILE_NAME(Lipid_Neg)=20230909_TW_HEX-000666_Lipid_Neg_005.mzML; cell_line=Line 2 MBJ; RAW_FILE_NAME(Met_Pos)=20230909_TW_HEX-000666_Met_Pos_005.mzML
SUBJECT_SAMPLE_FACTORS           	-	HSA-000033332	genotype:WT | treatment:LPS | Sample source:iPSC microglia	RAW_FILE_NAME(Met_Neg)=20230911_TW_HEX-000666_Met_Neg_006.mzML; RAW_FILE_NAME(Lipid_Pos)=20230908_TW_HEX-000666_Lipid_Pos_006.mzML; RAW_FILE_NAME(Lipid_Neg)=20230909_TW_HEX-000666_Lipid_Neg_006.mzML; cell_line=Line 2 MBJ; RAW_FILE_NAME(Met_Pos)=20230909_TW_HEX-000666_Met_Pos_006.mzML
SUBJECT_SAMPLE_FACTORS           	-	HSA-000033327	genotype:PILRAKO | treatment:LPS | Sample source:iPSC microglia	RAW_FILE_NAME(Met_Neg)=20230911_TW_HEX-000666_Met_Neg_007.mzML; RAW_FILE_NAME(Lipid_Pos)=20230908_TW_HEX-000666_Lipid_Pos_007.mzML; RAW_FILE_NAME(Lipid_Neg)=20230909_TW_HEX-000666_Lipid_Neg_007.mzML; cell_line=Line 1 DNLI; RAW_FILE_NAME(Met_Pos)=20230909_TW_HEX-000666_Met_Pos_007.mzML
SUBJECT_SAMPLE_FACTORS           	-	HSA-000033331	genotype:WT | treatment:Vehicle | Sample source:iPSC microglia	RAW_FILE_NAME(Met_Neg)=20230911_TW_HEX-000666_Met_Neg_008.mzML; RAW_FILE_NAME(Lipid_Pos)=20230908_TW_HEX-000666_Lipid_Pos_008.mzML; RAW_FILE_NAME(Lipid_Neg)=20230909_TW_HEX-000666_Lipid_Neg_008.mzML; cell_line=Line 2 MBJ; RAW_FILE_NAME(Met_Pos)=20230909_TW_HEX-000666_Met_Pos_008.mzML
SUBJECT_SAMPLE_FACTORS           	-	HSA-000033329	genotype:WT | treatment:Vehicle | Sample source:iPSC microglia	RAW_FILE_NAME(Met_Neg)=20230911_TW_HEX-000666_Met_Neg_009.mzML; RAW_FILE_NAME(Lipid_Pos)=20230908_TW_HEX-000666_Lipid_Pos_009.mzML; RAW_FILE_NAME(Lipid_Neg)=20230909_TW_HEX-000666_Lipid_Neg_009.mzML; cell_line=Line 2 MBJ; RAW_FILE_NAME(Met_Pos)=20230909_TW_HEX-000666_Met_Pos_009.mzML
SUBJECT_SAMPLE_FACTORS           	-	HSA-000033326	genotype:PILRAKO | treatment:LPS | Sample source:iPSC microglia	RAW_FILE_NAME(Met_Neg)=20230911_TW_HEX-000666_Met_Neg_010.mzML; RAW_FILE_NAME(Lipid_Pos)=20230908_TW_HEX-000666_Lipid_Pos_010.mzML; RAW_FILE_NAME(Lipid_Neg)=20230909_TW_HEX-000666_Lipid_Neg_010.mzML; cell_line=Line 1 DNLI; RAW_FILE_NAME(Met_Pos)=20230909_TW_HEX-000666_Met_Pos_010.mzML
SUBJECT_SAMPLE_FACTORS           	-	HSA-000033334	genotype:WT | treatment:LPS | Sample source:iPSC microglia	RAW_FILE_NAME(Met_Neg)=20230911_TW_HEX-000666_Met_Neg_011.mzML; RAW_FILE_NAME(Lipid_Pos)=20230908_TW_HEX-000666_Lipid_Pos_011.mzML; RAW_FILE_NAME(Lipid_Neg)=20230909_TW_HEX-000666_Lipid_Neg_011.mzML; cell_line=Line 2 MBJ; RAW_FILE_NAME(Met_Pos)=20230909_TW_HEX-000666_Met_Pos_011.mzML
SUBJECT_SAMPLE_FACTORS           	-	HSA-000033324	genotype:PILRAKO | treatment:Vehicle | Sample source:iPSC microglia	RAW_FILE_NAME(Met_Neg)=20230911_TW_HEX-000666_Met_Neg_012.mzML; RAW_FILE_NAME(Lipid_Pos)=20230908_TW_HEX-000666_Lipid_Pos_012.mzML; RAW_FILE_NAME(Lipid_Neg)=20230909_TW_HEX-000666_Lipid_Neg_012.mzML; cell_line=Line 1 DNLI; RAW_FILE_NAME(Met_Pos)=20230909_TW_HEX-000666_Met_Pos_012.mzML
SUBJECT_SAMPLE_FACTORS           	-	HSA-000033322	genotype:WT | treatment:LPS | Sample source:iPSC microglia	RAW_FILE_NAME(Met_Neg)=20230911_TW_HEX-000666_Met_Neg_013.mzML; RAW_FILE_NAME(Lipid_Pos)=20230908_TW_HEX-000666_Lipid_Pos_013.mzML; RAW_FILE_NAME(Lipid_Neg)=20230909_TW_HEX-000666_Lipid_Neg_013.mzML; cell_line=Line 1 DNLI; RAW_FILE_NAME(Met_Pos)=20230909_TW_HEX-000666_Met_Pos_013.mzML
SUBJECT_SAMPLE_FACTORS           	-	HSA-000033320	genotype:WT | treatment:LPS | Sample source:iPSC microglia	RAW_FILE_NAME(Met_Neg)=20230911_TW_HEX-000666_Met_Neg_015.mzML; RAW_FILE_NAME(Lipid_Pos)=20230908_TW_HEX-000666_Lipid_Pos_015.mzML; RAW_FILE_NAME(Lipid_Neg)=20230909_TW_HEX-000666_Lipid_Neg_015.mzML; cell_line=Line 1 DNLI; RAW_FILE_NAME(Met_Pos)=20230909_TW_HEX-000666_Met_Pos_015.mzML
SUBJECT_SAMPLE_FACTORS           	-	HSA-000033337	genotype:PILRAKO | treatment:Vehicle | Sample source:iPSC microglia	RAW_FILE_NAME(Met_Neg)=20230911_TW_HEX-000666_Met_Neg_016.mzML; RAW_FILE_NAME(Lipid_Pos)=20230908_TW_HEX-000666_Lipid_Pos_016.mzML; RAW_FILE_NAME(Lipid_Neg)=20230909_TW_HEX-000666_Lipid_Neg_016.mzML; cell_line=Line 2 MBJ; RAW_FILE_NAME(Met_Pos)=20230909_TW_HEX-000666_Met_Pos_016.mzML
SUBJECT_SAMPLE_FACTORS           	-	HSA-000033317	genotype:WT | treatment:Vehicle | Sample source:iPSC microglia	RAW_FILE_NAME(Met_Neg)=20230911_TW_HEX-000666_Met_Neg_017.mzML; RAW_FILE_NAME(Lipid_Pos)=20230908_TW_HEX-000666_Lipid_Pos_017.mzML; RAW_FILE_NAME(Lipid_Neg)=20230909_TW_HEX-000666_Lipid_Neg_017.mzML; cell_line=Line 1 DNLI; RAW_FILE_NAME(Met_Pos)=20230909_TW_HEX-000666_Met_Pos_017.mzML
SUBJECT_SAMPLE_FACTORS           	-	HSA-000033339	genotype:PILRAKO | treatment:LPS | Sample source:iPSC microglia	RAW_FILE_NAME(Met_Neg)=20230911_TW_HEX-000666_Met_Neg_018.mzML; RAW_FILE_NAME(Lipid_Pos)=20230908_TW_HEX-000666_Lipid_Pos_018.mzML; RAW_FILE_NAME(Lipid_Neg)=20230909_TW_HEX-000666_Lipid_Neg_018.mzML; cell_line=Line 2 MBJ; RAW_FILE_NAME(Met_Pos)=20230909_TW_HEX-000666_Met_Pos_018.mzML
SUBJECT_SAMPLE_FACTORS           	-	HSA-000033330	genotype:WT | treatment:Vehicle | Sample source:iPSC microglia	RAW_FILE_NAME(Met_Neg)=20230911_TW_HEX-000666_Met_Neg_019.mzML; RAW_FILE_NAME(Lipid_Pos)=20230908_TW_HEX-000666_Lipid_Pos_019.mzML; RAW_FILE_NAME(Lipid_Neg)=20230909_TW_HEX-000666_Lipid_Neg_019.mzML; cell_line=Line 2 MBJ; RAW_FILE_NAME(Met_Pos)=20230909_TW_HEX-000666_Met_Pos_019.mzML
SUBJECT_SAMPLE_FACTORS           	-	HSA-000033328	genotype:PILRAKO | treatment:LPS | Sample source:iPSC microglia	RAW_FILE_NAME(Met_Neg)=20230911_TW_HEX-000666_Met_Neg_020.mzML; RAW_FILE_NAME(Lipid_Pos)=20230908_TW_HEX-000666_Lipid_Pos_020.mzML; RAW_FILE_NAME(Lipid_Neg)=20230909_TW_HEX-000666_Lipid_Neg_020.mzML; cell_line=Line 1 DNLI; RAW_FILE_NAME(Met_Pos)=20230909_TW_HEX-000666_Met_Pos_020.mzML
SUBJECT_SAMPLE_FACTORS           	-	HSA-000033325	genotype:PILRAKO | treatment:Vehicle | Sample source:iPSC microglia	RAW_FILE_NAME(Met_Neg)=20230911_TW_HEX-000666_Met_Neg_021.mzML; RAW_FILE_NAME(Lipid_Pos)=20230908_TW_HEX-000666_Lipid_Pos_021.mzML; RAW_FILE_NAME(Lipid_Neg)=20230909_TW_HEX-000666_Lipid_Neg_021.mzML; cell_line=Line 1 DNLI; RAW_FILE_NAME(Met_Pos)=20230909_TW_HEX-000666_Met_Pos_021.mzML
SUBJECT_SAMPLE_FACTORS           	-	HSA-000033321	genotype:WT | treatment:LPS | Sample source:iPSC microglia	RAW_FILE_NAME(Met_Neg)=20230911_TW_HEX-000666_Met_Neg_022.mzML; RAW_FILE_NAME(Lipid_Pos)=20230908_TW_HEX-000666_Lipid_Pos_022.mzML; RAW_FILE_NAME(Lipid_Neg)=20230909_TW_HEX-000666_Lipid_Neg_022.mzML; cell_line=Line 1 DNLI; RAW_FILE_NAME(Met_Pos)=20230909_TW_HEX-000666_Met_Pos_022.mzML
SUBJECT_SAMPLE_FACTORS           	-	HSA-000033336	genotype:PILRAKO | treatment:Vehicle | Sample source:iPSC microglia	RAW_FILE_NAME(Met_Neg)=20230911_TW_HEX-000666_Met_Neg_023.mzML; RAW_FILE_NAME(Lipid_Pos)=20230908_TW_HEX-000666_Lipid_Pos_023.mzML; RAW_FILE_NAME(Lipid_Neg)=20230909_TW_HEX-000666_Lipid_Neg_023.mzML; cell_line=Line 2 MBJ; RAW_FILE_NAME(Met_Pos)=20230909_TW_HEX-000666_Met_Pos_023.mzML
SUBJECT_SAMPLE_FACTORS           	-	HSA-000033338	genotype:PILRAKO | treatment:LPS | Sample source:iPSC microglia	RAW_FILE_NAME(Met_Neg)=20230911_TW_HEX-000666_Met_Neg_024.mzML; RAW_FILE_NAME(Lipid_Pos)=20230908_TW_HEX-000666_Lipid_Pos_024.mzML; RAW_FILE_NAME(Lipid_Neg)=20230909_TW_HEX-000666_Lipid_Neg_024.mzML; cell_line=Line 2 MBJ; RAW_FILE_NAME(Met_Pos)=20230909_TW_HEX-000666_Met_Pos_024.mzML
SUBJECT_SAMPLE_FACTORS           	-	HSA-000033318	genotype:WT | treatment:Vehicle | Sample source:iPSC microglia	RAW_FILE_NAME(Met_Neg)=20230911_TW_HEX-000666_Met_Neg_025.mzML; RAW_FILE_NAME(Lipid_Pos)=20230908_TW_HEX-000666_Lipid_Pos_025.mzML; RAW_FILE_NAME(Lipid_Neg)=20230909_TW_HEX-000666_Lipid_Neg_025.mzML; cell_line=Line 1 DNLI; RAW_FILE_NAME(Met_Pos)=20230909_TW_HEX-000666_Met_Pos_025.mzML
SUBJECT_SAMPLE_FACTORS           	-	HSA-000033333	genotype:WT | treatment:LPS | Sample source:iPSC microglia	RAW_FILE_NAME(Met_Neg)=20230911_TW_HEX-000666_Met_Neg_026.mzML; RAW_FILE_NAME(Lipid_Pos)=20230908_TW_HEX-000666_Lipid_Pos_026.mzML; RAW_FILE_NAME(Lipid_Neg)=20230909_TW_HEX-000666_Lipid_Neg_026.mzML; cell_line=Line 2 MBJ; RAW_FILE_NAME(Met_Pos)=20230909_TW_HEX-000666_Met_Pos_026.mzML
#COLLECTION
CO:COLLECTION_SUMMARY            	WT and PILRA KO microglia cells (500,000) were pelleted, and washed 1x with 0.9%
CO:COLLECTION_SUMMARY            	sodium chloride and collected in collected in Lobind 1.5 mL Eppendorf tubes and
CO:COLLECTION_SUMMARY            	snap frozen.
CO:SAMPLE_TYPE                   	iPSC cells
CO:STORAGE_CONDITIONS            	-80℃
CO:COLLECTION_VIALS              	Lobind 1.5 mL Eppendorf tubes
CO:STORAGE_VIALS                 	Lobind 1.5 mL Eppendorf tubes
#TREATMENT
TR:TREATMENT_SUMMARY             	WT and PILRA KO microglia cells were cultured in iPSC-complete media without
TR:TREATMENT_SUMMARY             	TGFBeta and plated on matrigel-coated 12-well plate. Wells were supplemented
TR:TREATMENT_SUMMARY             	with PBS (vehicle) or endotoxin (LPS) (100ng/ml, Sigma-Aldrich, 055-B5) for 48
TR:TREATMENT_SUMMARY             	hours and harvested for metabolite extraction.
TR:TREATMENT_COMPOUND            	endotoxin (LPS; Sigma-Aldrich, 055-B5)
TR:TREATMENT_DOSE                	100 ng/mL
TR:TREATMENT_DOSEDURATION        	48 hours
TR:TREATMENT_VEHICLE             	PBS
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	On the day of lipid and metabolite extraction, cell pellets were reconstituted
SP:SAMPLEPREP_SUMMARY            	with 400 μL MS grade methanol spiked with internal standards.Samples were
SP:SAMPLEPREP_SUMMARY            	vortexed and volumes were adjusted to 800 μL with MS grade H2O, vortexed again,
SP:SAMPLEPREP_SUMMARY            	then 600 μL tert-butyl methyl ether (MTBE) was added, vortexed, then centrifuged
SP:SAMPLEPREP_SUMMARY            	at 21,000 g for 10 min at 4C. The two phases generated by centrifugation were
SP:SAMPLEPREP_SUMMARY            	separated. Each phase (top: non-polar lipids, bottom: polar metabolites) was
SP:SAMPLEPREP_SUMMARY            	transferred to glass vials and dried overnight using a Genevac EZ3. Non-polar
SP:SAMPLEPREP_SUMMARY            	lipids were resuspended MS grade methanol and polar metabolites were resuspended
SP:SAMPLEPREP_SUMMARY            	in 90% methanol:water mixture.
SP:PROCESSING_STORAGE_CONDITIONS 	On ice
SP:EXTRACT_STORAGE               	-20℃
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	HILIC
CH:INSTRUMENT_NAME               	Agilent 1290 Infinity II
CH:COLUMN_NAME                   	Waters ACQUITY UPLC BEH Amide (150 x 2.1 mm, 1.7 μm)
CH:SOLVENT_A                     	60:40 acetonitrile/water (v/v) with 10 mM ammonium formate + 0.1% formic
CH:SOLVENT_A                     	acid
CH:SOLVENT_B                     	90:10 isopropyl alcohol/acetonitrile (v/v) with 10 mM ammonium formate +
CH:SOLVENT_B                     	0.1% formic acid
CH:FLOW_GRADIENT                 	0.0-8.0 min from 45% B to 99% B, 8.0-9.0 min at 99% B, 9.0-9.1 min to 45% B, and
CH:FLOW_GRADIENT                 	9.1-10.0 min at 45% B.
CH:FLOW_RATE                     	0.25
CH:COLUMN_TEMPERATURE            	55°C
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	ABI Sciex Triple Quad 6500+
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	area
MS_METABOLITE_DATA_START
Samples	HSA-000033340	HSA-000033323	HSA-000033319	HSA-000033335	HSA-000033332	HSA-000033327	HSA-000033331	HSA-000033329	HSA-000033326	HSA-000033334	HSA-000033324	HSA-000033322	HSA-000033320	HSA-000033337	HSA-000033317	HSA-000033339	HSA-000033330	HSA-000033328	HSA-000033325	HSA-000033321	HSA-000033336	HSA-000033338	HSA-000033318	HSA-000033333
Factors	genotype:PILRAKO | treatment:LPS | Sample source:iPSC microglia	genotype:PILRAKO | treatment:Vehicle | Sample source:iPSC microglia	genotype:WT | treatment:Vehicle | Sample source:iPSC microglia	genotype:PILRAKO | treatment:Vehicle | Sample source:iPSC microglia	genotype:WT | treatment:LPS | Sample source:iPSC microglia	genotype:PILRAKO | treatment:LPS | Sample source:iPSC microglia	genotype:WT | treatment:Vehicle | Sample source:iPSC microglia	genotype:WT | treatment:Vehicle | Sample source:iPSC microglia	genotype:PILRAKO | treatment:LPS | Sample source:iPSC microglia	genotype:WT | treatment:LPS | Sample source:iPSC microglia	genotype:PILRAKO | treatment:Vehicle | Sample source:iPSC microglia	genotype:WT | treatment:LPS | Sample source:iPSC microglia	genotype:WT | treatment:LPS | Sample source:iPSC microglia	genotype:PILRAKO | treatment:Vehicle | Sample source:iPSC microglia	genotype:WT | treatment:Vehicle | Sample source:iPSC microglia	genotype:PILRAKO | treatment:LPS | Sample source:iPSC microglia	genotype:WT | treatment:Vehicle | Sample source:iPSC microglia	genotype:PILRAKO | treatment:LPS | Sample source:iPSC microglia	genotype:PILRAKO | treatment:Vehicle | Sample source:iPSC microglia	genotype:WT | treatment:LPS | Sample source:iPSC microglia	genotype:PILRAKO | treatment:Vehicle | Sample source:iPSC microglia	genotype:PILRAKO | treatment:LPS | Sample source:iPSC microglia	genotype:WT | treatment:Vehicle | Sample source:iPSC microglia	genotype:WT | treatment:LPS | Sample source:iPSC microglia
1-Methylhistidine	1007749.508	2298884.97	2241832.492	924644.5051	1258205.153	2257285.248	757933.9331	648461.2789	2960935.633	560131.148	1751414.875	3675552.361	3235431.868	1118144.106	2492952.74	865971.5192	706768.553	2341241.21	1719233.778	2568422.625	1420863.375	1109849.885	2458339.999	671623.5872
1-Methylnicotinamide	16993969.92	14668590.96	29257436	12243829.79	14289469.5	21485519.98	21988795.23	9499726.508	10015647.81	6939264.68	16464727.55	30598708.75	21681166.87	28308692.82	13348492.69	15986059.05	8611982.947	23743074.97	22826957.41	26877724.96	19593321.56	10846705.58	17255747.5	24257505.41
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
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
1,3-15N2-Uric acid	4493889.264	5135224.813	5110109.213	4127852.167	4396224.921	4353144.777	3366556.064	4182195.277	4094225.345	3257471.625	4869754.293	4609804.1	4750737.771	4311886.06	3766989.917	4801327.393	4903734.72	4324110.459	4860205.412	5509290.4	4158186.187	4763132.339	4864183.54	3612165.582
13C10,15N5-Adenosine	122163066.1	119414480.6	108401072.4	124041078	118952173.3	116668471.6	118754286.3	122823317.8	117756902	106444346.7	120468256.2	102808637.9	100596621.9	123701259.2	108642255.9	125026317.8	131706300.7	115435718.9	121135165.3	105794028.1	122245169.2	124923106.2	110382550.7	120854181.9
13C3-Thiamine	58980841.61	65854342.04	57588262.43	64004393.64	65340136.62	63291174.84	63931600.01	61914442.95	55877091.17	51086752.39	74448510.51	58308074.71	37425437.89	56616967.95	61638661.23	59250951.3	67746972.13	63659891.75	66126110.95	62179225.57	53791761.14	52265314.31	63759471.42	67132166.84
13C5-Hypoxanthine	18008823.69	16888615.92	15339985.47	17448248.79	16947208.68	16997550.35	16811840.14	17526110.78	16013615.08	12841393.17	16576339.17	16321760.98	15237424.99	17940041.86	15983716.05	17039184.92	18690814.9	16563039.06	17988857.09	15209707.89	17595686.53	17152226.73	14087902.27	17234849.67
13C5-Xanthosine	4130355.939	9542801.317	6648637.634	7846075.542	4658896.788	7056775.555	3783820.838	5565704.535	5996285.8	2254740.837	4342313.858	2813441.829	4160748.554	6322199.596	4623116.091	5900589.218	7294726.475	4445310.22	3655550.026	7780193.676	7895062.779	4857894.347	5588964.986	6762708.345
15N4-Inosine	31603005.9	30683727.69	29296262.29	31202272.53	29082516.02	28310388.34	29821595.38	27805208.56	29670377.51	23155738.19	26819715.18	27493834.71	27858321.97	29026099.23	29664269.52	27320638.24	29485770.21	27676035.97	28461609.84	28933462.6	31253852.88	27852927.72	25090571.74	26360081.81
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
3-Hydroxy-N6,N6,N6-Trimethyllysine	3994259.475	4636416.932	6916506.354	4576762.703	4372381.444	4284029.942	4306223.486	4162617.902	3980206.646	982899.7176	3729275.717	5780011.197	6119897.004	4745126.774	7541724.927	3125903.264	3390012.873	3291121.682	3667011.591	4894900.562	4098041.271	1800549.914	6199832.863	3003338.857
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
3-Hydroxykynurenine	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-Hydroxytyrosol	6113311.32	3712197.2	7492017.498	4983653.608	6087856.375	6126113.34	5781230.154	2832724.155	3582914.501	2599326.601	4440599.831	9990394.114	8200753.951	6295371.518	4348248.058	6592784.378	4716219.877	5764322.854	5795582.582	7201050.989	6891020.833	4439728.301	5343342.268	4921179.741
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
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
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
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
4-Trimethylammoniobutanal	17774442.64	10680930.12	14659042.48	11864871.95	13490387.46	17468262.14	14167217.95	8088633.364	11177480.53	3437576.459	11117395.79	23113175.75	19462918.59	16313971.33	14454599.67	20254332.98	11482231.19	12328520.05	16112232.67	16319759.74	17962824.79	11693337.42	11508641.73	8751254.327
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
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
5-Hydroxytryptophan	2611350.308	1736374.003	1657577.519	2104223.588	1523175.361	2360393.487	1867854.36	1012746.665	1403585.548	931530.6875	1840670.81	2149256.374	1394096.436	1922892.341	1593900.99	2786429.577	1777967.893	1233588.395	2745161.616	2056246.786	2551680.039	1389031.03	1084901.164	1040378.241
5'-Methylthioadenosine	48822876.39	51047381.94	68460250.08	46615627.23	56233329.89	73025451.28	44378728	45124741.45	60175846.66	23436167.15	74121861.41	75753755.58	73852791.02	47152028.56	76915060.84	49386692.64	59123082.59	63101248.46	52360224.64	109410533.7	62378936.85	48157290.26	87433688.55	57930709.22
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
6C13-Phenylalanine	144496880.8	147932546.9	141454182	148955218.4	145405167.2	141651108.4	143984058.4	148764895.5	142305415.2	106841484.4	146038747	132331317.6	130304144.8	145879605.5	142973422.3	139211431.1	146461421.2	141629020.1	136043706.3	142653885.3	140383604.4	142431955.5	141751766	139754684.2
6C13-Tyrosine	25952783.42	26995515.42	23664176.44	24374743.2	26306327.09	22673304.56	25078098.85	30526223.49	25241010.95	21016171.95	25371204.04	25460332	22692581.69	24240286.04	27572028.11	24993268.53	27179498.71	22596885.55	24323115.92	24622364.22	22405959.75	23851770.01	26155792.84	23073727.06
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
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
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
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
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
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
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
8-Hydroxyguanosine	2186157.065	1687270.533	1616479.725	3387824.903	2008758.352	1579703.736	1599193.601	1645488.81	2313713.135	1368240.773	2877935.551	2679651.747	2611132.501	1739628.02	2498362.482	4550214.756	2043418.291	2309346.456	2850000.373	2509363.552	2323900.315	3876498.008	2608059.896	2097735.854
9-Hexadecenoylcarnitine	774905.9371	901259.0268	1024267.499	625999.8725	1717629.776	1181870.049	836680.7025	1987906.826	779618.6518	246289.4147	940723.4977	414255.0878	509211.9648	708711.5406	1119395.134	629640.3773	688088.7863	699857.8546	654262.0224	601425.8603	612546.4839	673031.7418	1284183.632	1006559.783
Acetylcarnitine	46234262.15	53832063.68	77876041.82	42623636.24	55293427.77	52525575.36	43965974.34	45594270.11	56335051.21	28152118.58	50744474.72	98738156.25	97812336.11	48463970.95	84168990.7	42691061.79	44353783.33	44971851.48	50284071.56	94920987.69	42311559.25	37947609.58	74601353.36	44341283
Acetylcarnitine-d3	476296527	483681758.1	441157646.9	449046017.5	443366395.4	433514403.2	435842085.7	443399457.8	454192580.5	356747424	442393966.5	438346356.2	426723833.4	473558746.2	464571737.8	439034150.6	448234761.5	444525093.2	443054912.9	452232998.1	444559177.2	442228886	424624263.3	426108104.1
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
Adenosine	45290134.24	38877824.54	64920643.7	33012693.57	31919394.48	35067457.16	56943172.9	28538867.39	30415224.13	34534287.5	49279108.36	54861557.37	43369519.33	62822538.94	46056677.62	38474183.14	40331162.93	38414633.25	53874439.41	42491788.5	41087702.38	24730472.65	54947190.33	39562342.27
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
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
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
Alanine	28028229.16	18524682.66	23993373.09	21871127.56	23930112.26	23419169.62	21046005.19	17948084.75	20185586.08	8928874.429	19378850.95	30190550.66	30498056.47	23574826.67	25557801.93	26321331.06	21996222.54	20005802.79	21429565.8	27940388.94	24803669.74	18875744.31	23478180.46	18433205.34
Alanine-d4	25033251.89	25659485.15	25708464	24344959.4	25396505.05	25781510.58	25558201.34	25491748.19	26115906.36	16485475.98	25317136.99	24877594.01	23777451.93	25751772.08	25122879.24	25011302.89	27011210.59	26218723.15	25142491.21	25199892.96	25024150.24	24449113.7	23180032.97	23898563.44
alpha-Tocopherol	3728067.115	5392511.132	7757394.542	4644861.411	7064412.809	4507811.815	6086919.583	7477917.639	4609338.57	1105229.543	5343335.677	7938716.549	9369137.872	4516358.42	7608865.049	5728440.645	4686515.143	3903150.003	3488087.949	6932672.406	5164575.328	3652719.569	6108292.583	5040394.968
Arabitol	44104040.18	63751111.74	62908075.29	48662514.22	42943672.41	62886853.28	37771060	32377932.65	45418077.81	22870470.2	50040651.7	35112925.37	50165133.29	54677964.06	42455541.82	45649148.46	48002722.13	44892048.24	47250723.42	57791039.24	57064956.5	42223629.13	38302769.85	50144432.84
Arginine	166972940.4	119921851.9	146591237.9	134918470.9	132699725.7	153816060	128834624.4	93028863.83	124900924.6	62313177.59	115619826.7	177162986.9	168846471.3	139091851.1	128027849	165663065.6	119228131.5	126692528.7	144396404.3	144239563.3	151503169.1	110241895.6	120761497.2	96154920.46
Arginine-d4C13	209675422.3	210812877.3	205707927.3	199133211	199679330.5	192944455.2	197748484.2	186151266.5	191447321	140494216.2	182080857.2	206672656.7	195108979.5	187763917.5	205101022.9	175457900.5	180643036.3	169689849	177213373.3	196212305.1	171214887.9	166509311.6	180990036.7	169908046.8
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
Asparagine	6899796.873	4007987.251	7369397.44	6908465.372	5741633.814	6876681.201	5665718.535	4831826.637	4518292.665	1889287.435	4533049.248	7226869.297	6934035.288	6003727.753	5166873.642	7216116.579	5527727.134	5692000.459	6692020.54	7436260.52	6955584.063	4462782.984	5767234.855	4792401.352
Aspartic acid	60901825.23	69376974.63	77107861	66943366.93	57610833.41	66278299.06	49748040.4	54218684.98	67033865.14	29499833.16	63906573.93	65487668.09	65674751.96	64216342.48	85413177.66	58784023.8	48764711.36	56569954.81	61429568.29	69527997.26	59405703.56	47995745.08	75557515.65	53394403.35
Aspartic acid-d3	37860488.41	34054493.88	35233095.16	35854270.42	35508251.9	34843479.59	34388873.7	36427866.18	34924631.26	22649174.11	35265642.62	35662318.88	33170664.6	34441987.23	35444312.2	34820314.94	37910431.85	35792904.89	34466049.6	34042670.88	34717558.32	32935426.92	32830333.78	35028299.07
Asymmetric dimethylarginine	27557773.81	24689343.79	41779142.5	23663280.53	24831209.66	28371552.63	27434502.8	20395642.2	23848418.49	9203138.436	22572256.14	40270992.7	36042956.2	24968292.78	36074117.27	26394358.25	23596965.86	21604232.7	21233100.9	39804659.72	23999380.04	18482011.96	34735721.28	24460947.2
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
Betaine-d11	31922632.3	28657436	26509024.74	31500483.74	30381012.78	29077444.33	30604125.29	31416554.1	29993879.61	22928748.44	29869464.25	25948099.67	24189175.84	30787764.81	25617703.28	31761675.61	33040520.1	29506048.21	30909646.35	27835149.35	30848636.11	30478835.37	24453230.49	30231458.8
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
Butyrobetaine	15223138.4	29587244.39	32194557.41	16793910.98	20659553.26	25842483.1	17967442.83	22561775.49	26568082.32	11648326.76	26726460.06	32993609.82	31068498.72	16219612.12	39380936.81	13139746.25	16893001.37	22663938.91	25576331.92	32258781.75	14315903.07	10479591.98	35273644.49	18481183.53
Butyrylcarnitine	46949281.63	34225659.14	51146722.61	35028919.72	43287845.19	50261484.2	27610980.65	30371887.36	49434871.98	24754001.3	33388346.17	75187127.88	67503972.82	35838667.14	52343262.02	43785060.2	28319228.61	40104972.3	28755385.66	72883000.38	34173122.37	40962311.01	48131687.78	38539281.68
Butyrylcarnitine-d3	257264738.4	233675140.8	216802841.4	239806829.3	229197161.7	233035829.5	260643741.5	271546474.9	260358650.6	200965620.1	261901949	225555796.7	212192974.7	275833893.8	230544430	253300337.9	264344746.6	260321234.6	247763801.3	238563512	243754439.2	251346912.6	240907951.6	266595502.3
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
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
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
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
Carnitine	56405597.88	47063503.06	65832757.68	52998351.46	58477209.97	49450083.17	49993319.78	49963700.47	47960023.5	28214104.26	45940666.73	66336653.35	65613433.99	53302173.66	68564861.12	53069733.82	48863510.21	42637505.2	45252054.09	69840412.94	52712492.25	43253381.28	63764834.47	50732043.75
Carnitine-d9	86525998.78	82367809.83	77003861.56	82222252.31	82863114.3	79931369.13	84782889.32	82759706.36	83203536.77	61857791.28	82884968.65	77571009.62	75050566.49	83894212.32	79700286.52	82681188.21	85674433.31	81272299.5	82994139.15	79037845.53	81557021.56	79995956.59	73660646.5	81427528.26
Choline	249365606.8	210458496.6	253017331	239954225.5	254752476	245703154.6	242749948	223921045.3	239336157.9	172758467.3	203699313	280988052.9	284614491.2	255080502	244826591.7	249372047.2	231082287.3	226754924.3	208114630.2	276358023.7	252274295.8	206432712	241040900.7	244206845.1
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
Citrulline-d2	7594562.658	7656143.597	7642644.063	8412762.891	8252818	7378138.34	7698364.799	8420715.667	7840520.001	3671952.694	7845716.227	7464468.451	7277628.064	7675044.788	7529164.207	7010409.984	8416635.213	7511231.445	8254492.862	7490775.725	7310764.697	7279115.124	7512587.202	7565554.375
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
Creatine	98432394.1	57585096.3	81746918.05	80352498.65	95554384.73	59126616.16	80188062.67	90904760.45	58564991.13	54268722.02	52628455.06	93672895.31	88849751.53	86532398.68	92734565.7	79110388.19	70340012.82	51252259.48	53226116.41	82107611.54	69197286.18	66122646.99	83298893.23	78823946.69
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
Creatinine-d3	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Curcumin	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
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
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
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
Cysteinylglycine	9773037.732	8989143.568	9505832.668	9843002.563	10066110.29	8500811.339	8834483.017	9422345.092	9321094.705	4982096.684	7968618.737	9743311.354	7434048.584	9196992.835	9139600.881	6659986.685	7479006.442	7490567.417	8541366.456	8612376.172	8095998.123	8498869.813	7053422.36	9306166.754
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
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
Decanoylcarnitine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
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
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
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
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
Dimethylethanolamine	12045994.15	12191063.48	10337411.17	10295136.37	9344061.85	13320012.16	13995781.59	10945718	12183125.62	7154121.605	8262530.213	9978617.506	11508388.37	13550433.17	14915781.15	7754642.878	8982272.554	11247439.61	10889189.99	9965229.879	10099241.43	11165196.85	10659168.8	9678784
Dimethylglycine	16281866.97	14216902.53	21791110.24	14479011.58	15606743.33	19274452.02	14374787.22	11068034.31	16843207.75	3939693.623	15337759.77	28657743.29	30192882.52	14659795.61	22710049.43	17354766.45	11753114.42	15002479.95	18855865.29	30861555.06	14605628.18	9810495.941	19568137.87	13034722.28
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
Dodecanoylcarnitine	200313.3625	359178.4181	500816.887	311420.6032	270444.0988	429732.3593	250589.1041	402531.699	312027.6027	113386.1574	480613.9777	267156.7481	457964.7431	402812.7655	680540.5083	313700.9873	385855.6122	277382.844	464272.5387	742779.4857	303235.9703	130519.8409	910403.315	355055.2279
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
Dopamine	4826950.404	7844663.853	8640505.187	6513938.712	4470428.372	10250255.71	5200069.155	3613331.663	6195137.339	2631760.197	6598585.999	4705264.599	5611172.672	7901763.045	6192373.866	7661884.231	6838144.88	7627277.956	7292136.298	9514699.347	8214073.002	6275043.992	4867711.803	7116182.152
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
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
Epinephrine	11035047.63	7985035.941	11170234.58	8295972.095	8739520.85	9522372.389	9510184.625	5815150.793	7629734.416	1853524.035	8327207.929	12170445.94	11907126.47	9148836.809	9300632.759	11741687.04	9100115.969	8805903.797	9824907.398	11180108.56	10767676.61	8983292.394	8592551.454	6895826.416
Ergothioneine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Ethanolamine	1683476.419	1380796.557	2574861.84	1194105.782	1800044.652	1206168.574	1581447.563	1845796.951	1401267.794	616206.5271	1232670.532	2319787.988	2500937.631	1099548.342	2262796.68	1379174.964	1137263.62	1176709.732	1324730.713	2553816.109	1179501.762	1010972.408	2389587.679	1228452.811
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
gamma-Aminobutyric acid	1242648.627	911198.1576	1755104.364	916674.0841	2397671.582	1090845.408	994809.4627	951810.8038	1361739.088	364583.2408	780175.9618	2686774.552	2259736.915	745061.2104	2261646.808	1195397.04	864765.9077	890449.7631	532648.6421	2797190.991	929034.2991	769762.7461	1955804.592	1493315.74
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
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
Glucose	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Glutamic acid-d3	16992558.57	15787773.1	15134379.99	15300899	13968828.42	15487452.68	16071891.04	16558035.25	15062180.5	10457739.1	16058198.07	14937455.21	12288958.47	14493396.74	16612648.43	16193264.29	19372639.07	18676620.16	17889923.12	14434651.36	15526485.97	16773180.11	14538334.27	14337035.88
Glutamic acid	148931148.1	131345164	168708708.2	140328455.8	154519518.3	135958947.4	132205598	133811044.3	142244515.7	79205702.47	138562373.9	172778908.2	176814610.7	141729463.3	183545114.4	140137213.1	113548696.7	116433698.8	117672973.2	176328138.2	136189112.9	112153022.4	162786616.3	134433379.6
Glutamine	85917388.84	64934216	77777587.54	68374517.55	69505968.03	78794971.27	63386274.73	49908650.7	70671063.31	33139162.5	64761744.02	99121093.39	98010495.58	74342807.6	76338764.17	89124444.47	68058986.85	68282174.99	80107964.73	91036083.17	78653994.47	64764000.95	73429742.68	56836934.83
Glutathione	46987460.68	41674689.68	69215141.45	51478464	45130544.03	66780597.4	42452001.82	32854668.45	69161231.3	23246515.42	55495770	96537819.84	105746769.4	49906550.27	74153169.27	53878534.2	38099553.17	53320256.76	57751243.69	151293679	40749037.46	40147156.24	70663768.23	48138353.03
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
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
Glycerophosphocholine	115045041.3	71356755.56	98501318.35	85391890.17	151856027.8	122129545.2	99201837.08	94816647.91	145177277.3	63617902.68	72217853.57	175989273	174359615.3	93005627.42	98238445.74	102627968.1	89863456.4	99549728.48	67517632.87	170712969.4	107433131.9	78852121.32	93359898.94	113043652.4
Glycine	1749724.375	1610420.937	1637484.84	1769442.107	1681223.59	2225717.354	1198806.094	1613507.049	1897213.94	666865.0871	1387405.986	2419473.082	2003981.781	1929474.191	1967862.083	1838544.954	896708.5112	1491728.72	1281127.445	2049587.623	1321840.072	1715525.385	1812566.347	2170254.909
Guanine	12011431.23	14744886.19	16864168.08	14152142.51	11840531.72	16229251.89	10570736.59	9972410.509	12470918.54	6952351.782	12518405.75	11961174.37	13878472.73	15969930.15	10348102.2	12674921.64	14824384.85	13645796.85	12942561.96	16828325.59	15439212.3	12531030.9	11620086.91	15934564.59
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
Hexanoylcarnitine	5122610.107	3826618.663	4691475.612	3484334.704	4631416.608	4627744.223	2874349.613	2831382.617	4350109.253	2409304.033	2976547.33	5651295.285	4183791.421	4353007.43	5301232.56	4423580.9	2985474.298	4421543.83	3406230.893	4863719.088	3662565.045	4912575.969	3991468.989	3931195.888
Histamine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Histidine	62639432.57	48892658.49	58977785.5	51593441.29	52070856	55470602.83	48342504.8	38016571.9	51900571.83	22205593.76	46933094.6	73266948.92	71667057.01	54377461.97	58941848.95	61474169.01	47923221.69	51360429	54029626.43	62569277	56286204.24	43946603.91	52583404.27	39939491.18
Homocysteine	28391910.73	28851169.25	28223013.53	29079519.75	28583443.51	30323052.28	30082463.53	30658535.72	28642331.76	20367300.11	30563666.55	28310902.63	27181457.54	30433928.56	30976775.29	29184367.64	31119076.73	29151874.38	29011193.85	28378813.67	28381167.29	28796135.62	27976562.09	29579728.55
Homoserine	23753121.2	17217967.82	22085384.01	19360355.18	20334613.72	22893124.02	18726969.03	15889722.44	20207393.38	8692016.299	18367291.98	26638376.48	25511704.15	20421646.26	20536490.55	23946320.19	19888370.9	19399830.91	21528405.49	24985504.36	21846883.13	18095237.6	19923382.13	16892775.4
Hydroxybutyrylcarnitine	22142874.88	21720247.57	26835953.95	22568662.83	24993795.99	24046791.46	21851528.27	23164812.66	26539686.29	11899329.93	21029048.68	37484627.48	37656682.83	23481854.2	28584188.98	21118867.97	21161667.08	19671512.05	18665809.21	37947040.31	23407296.78	19455015.23	24856956.62	23990811.26
Hydroxyhexanoylcarnitine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Hydroxyisovaleroyl carnitine	25942830.71	17505588.41	26737015.96	27080537.9	31849549.67	23953441.58	20540379.43	27784442.62	26660512.42	14316438.4	18789130.87	43236246.09	42438178.92	25203175.87	29361409.11	22283442.36	21621898.36	21551917.87	17388570.52	43260494.12	23476903.28	22722648.54	25365434.58	25667135.94
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
Hypoxanthine	3091415.984	2034725.952	4355511	2437053.639	2349872.453	3486550.091	3609926.681	1388467.09	1804968.23	992048.7133	1906220.384	7109016.292	5120531.985	3699594.914	2989425.709	3571685.099	3078737.539	3083445.808	3799290.783	4792356.394	2991552.251	1682034.602	2432056.794	3346789.851
Imidazoleacetic acid	7132755.587	5428996.167	5417036.67	3725273.152	9244408.75	3251068.876	6392052.222	10584709.3	5310656.25	6076317.975	6585326.362	5221013.616	4017433.784	5122907.928	9548362.497	5910654.036	7217531.649	5108620.693	6667339.388	3963392.316	3990450.841	5473894.556	8228092.079	4722402.392
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
Inosine	8094282.395	7697495.818	14622918.41	6212525.775	6139703.63	8812235.414	8770492.537	4648679.634	5901692.784	4047623.253	7633492.867	11818817.88	9904514.209	11921125.63	6098229.797	6032996.553	5035491.877	10276125.54	10513525.39	10887394.7	8186557.41	4538270.305	7448558.273	9407420.703
Isovalerylcarnitine	44763638.99	31579507.28	33676157	36830355.45	45967386.7	39149683.69	37742130.19	39704129.1	40490158.3	30206146.98	31066920.17	51728487.27	51637428.19	43620767.63	35264344.55	40184343.05	37616923.97	35707697.55	30105128.14	45814639.05	40837675.04	39817736.89	30694276.35	41254939.61
Isovalerylcarnitine-d9	355257761.6	341357379.7	315568484.5	354890333.5	343572306.2	338304014.6	351421278.1	344398192	334794131.6	277593081.9	337343611.9	322109865.7	299801808.5	357143340	315495556	346950765.2	367605251.7	331071747.6	335583339.7	303612001.5	350467445.6	350036992.3	305358930.6	344253521.3
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
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
Leucine	111461813.8	92977870.74	105438428.4	93131064.57	93779041.73	103988070.4	91437550.88	76628631.89	96294785.44	50521106.65	95565397.07	113665786.4	116197144	98818135.55	99227417.42	116319356.2	102623007.1	97005291.81	106539438.2	109174712.5	108645122.9	90552988.13	95893045.94	79686674.56
Leucine-d3	145493527.7	142871860.8	139020860.1	142813444.4	137925819.7	134150066.1	137964281.2	147119172.2	140653569.3	106866615.2	144785379.6	140145164.2	125475343.5	142940713.8	140321799.6	138933653.3	143974884.9	138934906.3	133274712	143373910.3	133767251.3	135443172.6	135900041.7	139118346.4
Linoleyl carnitine	718614.5507	666768.7182	1217035.911	714829.3787	2894253.389	1235598.667	1329568.752	2010167.653	953472.9314	360065.7407	1263472.117	1172328.614	1183296.549	1064851.433	1132777.944	1209732.413	1995528.822	1055015.179	777080.0126	905081.2641	403409.633	1173638.889	1071299.722	1579023.003
LPC(18:1(d7))	242995965.8	258560220.5	265770810.8	240083517.3	251304362.5	260297569	241218486.5	253978488.6	266275751.8	158997064.5	257791450.7	263964173.2	261657944.4	254701619.8	276112981.6	247436374.5	244968450.5	246459998.3	245477101.9	269333973.9	247378301.6	238951829.1	274553252.3	246638282.4
Lysine	20357796.76	14187882.34	18734678.98	14958589.61	16294811.07	18422228.06	15641679.63	11715382.07	14390064.77	6601311.326	15926331.96	22407963.83	20983964.03	17813596.83	16121327.13	21258548.27	17287367.09	15133797.9	18541405.79	18926959.95	18396547.87	14768776.51	14072142.82	13332439.24
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
Mannose	21806580.01	9527422.215	15331212.94	15428573.32	17304622.04	20398978.88	15862029.58	8064489.863	13596529.35	3680988.395	14420071.97	18669890.63	20866645.91	18380411.91	11512690.89	28821531.59	19040521.73	17353121.83	23737614.67	13708795.88	22890750.71	17600461.68	12430508.03	11000261.05
Melatonin	2714048.086	1443178.933	2368451.799	1975658.918	2223529.654	2978000.932	1239731.864	1191445.711	3317165.289	1042321.484	1543026.239	4988910.915	5006072.553	2066301.658	3727307.119	2350366.383	1104939.027	2085368.232	876141.0466	5449541.227	1494983.475	2703460.101	2290447.266	1736599.93
Methionine	6761753.201	4659545.611	7745096.096	5456841.373	5549942.354	6814028.29	5038952.821	3307212.768	5934635.493	1844753.315	5100994.062	9975943.183	8912572.777	5745690.321	7966063.76	8115307.112	5802601.983	5792185.382	6343923.096	8817591.593	7483242.969	4874108.911	7106552.643	5071079.163
Methionine S-oxide	4064850.829	3198895.283	3787518.571	4260321.874	3247055.127	3960747.783	3225240.985	2492414.931	3490055.17	1740220.133	3372690.276	3889451.91	3429846.846	3916671.889	3279845.299	6216179.847	3769435.426	3363220.214	4626358.55	3622472.725	4565297.603	3401916.896	4429776.191	2621136.581
Methionine-d3	51917128.19	49726861.98	50510276.18	49528446.32	51280204.13	49847627.02	51263479.16	53029503.2	51516712.33	38061160.07	52077113.54	51064799.81	48203075.29	51559071.92	53648934.52	49853914.54	52789017.45	50573606.73	51585143.31	51843669.7	49750245.44	49539341.71	50004972.35	50777623.81
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
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
Myristoylcarnitine-d9	77065386.65	70532917.28	66708680.29	76159541.71	78831083.22	68205918.81	57908746.82	70484314.21	47772260.2	53725302.76	68881173.13	78743840.55	64990251.39	74111278.44	64790262.9	81856440.96	74778810.95	69064110.56	54032802.16	72954021.72	69042743.13	54646496.22	68955699.22	73775309.29
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
N-Acetylaspartic acid	24432357.55	24796330.75	27987056.97	22719986.59	23164649.3	31260727.32	22408197.02	23223934.81	28065188.03	19719207.77	27296461.07	29584601.96	29717264.09	23937596.95	28728080.36	25154770.16	26616900.74	26163594.32	25866813.5	30284280.26	25851592.77	24055586.95	28543325.14	23804030.25
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
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
N-Acetylneuraminic acid	13067683.11	4755109.647	6869588.124	5527007.485	5566732.34	7675148.11	4758101.274	1900591.904	5335601.561	342369.91	4251103.748	12093702.91	10383865.41	9271699.55	5350626.439	15303833.23	4798198.354	5694025.759	8034272.832	6409343.863	12407057.12	5016432.668	4830064.817	3091248.886
N-Acetylputrescine	700731.6165	190376.7439	247296.8814	352497.0718	688419.4584	333875.5021	296765.9764	532175.716	300631.0727	478498.9547	274925.4422	411676.1492	752278.0665	349530.0508	337791.6581	441732.4928	309186.6386	468030.9139	243167.6889	678662.8036	658151.7721	678373.7893	140477.5702	684124.7837
N-Acetylserine	5170351.681	9386494.159	10793072.41	5773711.346	6959251.029	9556996.556	3499569.089	5332932.782	8902258.39	1783151.404	7819697.722	13771381.21	13899882.32	5697952.809	14822185.24	5439962.496	3653780.932	7578263.127	5818024.461	15613762.06	5356679.307	4791560.026	10525315.98	6125043.083
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
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
N1-Acetylspermidine	5956423.135	9246815.404	14120347.32	4738951.185	5451523.67	14758766.8	4163535.553	2393329.075	11873731.68	1482245.443	6622195.037	21900616.97	25205557.31	6143781.136	10633495.97	4191587.784	2604349.939	10210237.81	5886757.983	23636052.73	4485546.285	5613057.509	8657830.48	6223553.709
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
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
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
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
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
N15C13-Glycine	6453676.796	6303522.848	5917795.145	6206745.253	5343341	5728505.6	5711413.11	6341969.252	5901555.953	4209283.41	6079681.563	5862037.457	4762428.674	5429045.946	5401194.345	6018628.716	6353153.048	6011031.295	6113882.744	6104782.859	5525834.265	5481312.311	5312679.953	5464482.842
N6,N6,N6-Trimethyllysine	12480171.28	14001147.23	19017890.27	12696349.28	12297191.43	14387375.79	11154643.8	11707214.1	12205324.64	3558518.491	11517909	16554233.01	16272029.06	13255495.23	18709933.23	10534691	10677758.05	10336214.64	10264559.08	15976345.85	11664426.47	8388783.632	16286563.75	10130757.58
NAD	409983.6892	845053.5326	997224.5223	629366.848	450611.2754	1276703.061	436286.9872	599345.2228	887763.2395	135000.685	543158.1673	1098568.5	1173523.062	407972.3573	1435809.316	372355.8191	246937.548	341142.156	688760.5926	1469217.07	366837.5023	352761.3615	1181361.177	466616.4668
Niacinamide	49449495.54	44790548.62	52490378.78	39352533.04	45374233.71	68237850.5	41847565.35	33686410.53	55620208.4	23944554.54	55326167.07	78797128.74	75900399.32	44347359	48606272.47	70431243.57	57806222.78	57432325.41	51133151.81	124959973.1	65100999.38	42396941.11	63419400.75	52354094.78
Niacinamide-d4	401302142.9	399755553.1	391092090	397763516.4	398647006.8	394548490	404297351.3	389327512.3	389790316.9	289610832	394659157.6	402406351.2	386967585.6	408356880	396036761.6	380533617	382748200.6	367418181.5	364898494.8	385376130.3	383914783.8	363955171.5	388864042.4	391238982.6
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
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
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
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
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
Norepinephrine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Octanoylcarnitine	1874919.964	1983460.255	1839825.337	1816209.626	1278138.207	1792608.594	744792.8593	955251.0051	753897.2896	1357411.837	1396016.849	1403903.654	1236089.498	1834879.91	1383257.241	1413042.67	1249385.85	920472.9402	1080376.335	1194648.973	1714951.977	1305004.459	1692716.55	1519084.128
Octanoylcarnitine-d3	201943833.8	180211932.4	161797467.4	189607791.4	181587849.1	168785466.6	176762066.9	185261100.1	170365788.9	159641736.6	188253015.4	166943132.8	151161534.4	188346737.3	156537588	184362036.4	209238711.3	181999874.4	187675146.5	153850364.1	191997059.5	195098975.6	159641242.3	180254847.3
Ornithine	2035776.622	1058466.395	1232255.536	1118092.627	878940.5951	1274467.302	1240406.309	575393.7027	1940886.447	300223.0695	949408.2231	2484533.064	2955099.717	1087434.301	2036744.34	1128936.147	1002051.107	1006564.406	781276.0628	2613474.193	1086675.685	831113.3121	1820981.408	918046.9339
Ornithine-d2	16213625.1	15543004.23	16904538.82	15181617.75	16329491.51	15567423.94	14744676.11	15710469.08	16075144.71	10044368.64	13368745.58	18086405.47	14831220.77	15692985.03	16500357.88	14211162.97	14772690.14	15190579.71	15553301.67	18029970.78	13944839.42	14435781.74	14693485.56	14888226.08
Palmitoylcarnitine	381982.9099	870688.5023	794274.9733	385817.2486	851005.0411	591811.2385	707533.8215	910074.688	755811.1768	333173.7836	574698.3444	738531.6621	823588.2888	535268.8728	1217664.297	806920.2826	480047.3031	343740.8582	525697.8339	605664.1976	551086.6523	423247.5049	1019352.763	761521.4135
Palmitoylcarnitine-d3	35329233.25	36420615.67	34671583.88	32187421.75	34617229.46	23744933.99	28426623.55	43257414.34	32266227.05	30002997.15	35050825.27	25471151.97	24910276.15	27101115.74	29726545.04	27439519.54	28417897.72	37967000.37	26986950.01	35092113.58	26453231.75	25777544.77	25625700.65	32995315.11
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
Phenylalanine	103028568	80617295.53	103721415.6	84171635.2	82426044.11	102015493.1	79534018.69	60339293.88	82988695.48	38046354.82	82779970.94	116477502.8	110249152.9	93716361.2	92344356.02	113114782.3	87836397.29	85682441.04	99080999.96	111324100.3	107854546.8	80699976.08	90388730.3	71430940.7
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
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
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
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
Proline	21378369.28	8282252.945	13227616.87	12882395.91	16370953.83	9224102.902	11374940.19	10949312.41	9972169.416	4417120.98	9529445.807	16122925.99	14812766.92	12945521.26	16391628.96	21505255.77	11922351.66	8704327.833	11295832.7	17331560.61	17098971.77	14032557.26	10645713.58	10109922.16
Propionylcarnitine	54366844.28	74919669.5	97131933.67	68755615.71	61947696.23	63240321.12	50704483.66	54903464.86	67334435.8	49356979.92	61710548.23	105018517	100291093.5	61335167.87	104153986.3	49458806.78	48733993.31	61939881.32	61472596.97	109590233.1	58137938.77	54460220.49	98596293.4	65843341.4
Propionylcartinine-d3	180829404.1	177229174.3	169263339	175367284.2	172683674.2	176407234.7	171702012	178577050.8	174729597.3	141997274.6	178181703.7	169950783.4	160063633.3	178740200.5	173814350.3	177609249.1	185929513.8	177913044.9	184937694.9	169669697.4	180263563.7	181630889.3	167990160.9	173564796.7
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
Pyridoxamine	18161250.25	13085608.25	11521959.61	17259897.35	15065764.5	12471621.94	12869017.58	13268289.22	11039060.76	6546178.369	10606538.42	13019353.29	10111338.43	19076606.53	10792983.74	19666703.98	15912449.13	13807653.79	12731434.88	11706841.04	20176099.32	14697111.98	10515977.56	13322517.75
Pyroglutamic acid	274800668	186297323.3	228069820.6	223491495.9	218316006.6	257615596	209508237.7	156748465.6	223615928.9	113383631.8	201365255	298876956.4	307255478.9	242181460.6	209928917.8	305192616.8	223299450.4	234219401	254764042.8	282401071.3	287006661.5	229620412.3	201474516.6	183351896.3
S-Adenosylhomocysteine	1041344.017	1080925.706	1356895.204	676296.3218	1312033.348	1239238.568	844301.9522	652168.6069	1002782.931	447826.3231	759666.8208	1688522.087	2128278.973	1101868.631	1489977.033	931145.6595	745572.7347	444546.4716	967859.8382	2068705.407	663329.774	632217.0462	1110779.077	800185.6739
S-Adenosylmethionine	12485578.91	15192610.83	24748374.41	13183357.59	15157967.29	11914107.36	7967135.48	9350495.962	15877740.69	3044136.988	7260088.827	28609706.28	28695738.62	12489221.72	22575572.04	7209890.994	4117704.396	11362525.86	9146728.127	19807748.69	5917300.277	7292901.283	13045503.23	8153846.617
Sarcosine	23675863.95	17034244.34	21726185.67	19069613.04	21810475.26	20512837.01	19061946.78	15949699.35	18704110.42	8793365.102	16555650.24	26068897.19	26677161.59	20406942.07	22631862.08	23682762.27	17455568.25	16788103.02	19071902.73	25307312.67	21714958.77	17678043.98	20349276.88	17299711.07
Serine	13943657.45	9645019.267	10629565.48	11752672.65	11904133.43	12466524.83	12141179.62	9013953.76	9108117.67	5231309.924	10376560.24	13450660.52	10239012.08	12966630.51	9455205.914	15371951.85	12421017.8	10255495.85	12712922.3	11216097.33	14162097.41	11191516.77	10661663.13	10442243.68
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
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
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
Stearoylcarnitine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Sucrose	17908760.31	14075218.07	13816844.18	18333018.96	13371037.31	10957688.17	16402102.47	14716097.12	19562567.01	14141598.84	17326076.7	23261242.49	10362453.2	18185364.71	10672889.03	17675548.42	12200689.31	13818434.99	15487888.44	10028035.01	16233582.03	17118069.23	13236375.61	14452388.28
Taurine	53795767.06	49939236.54	45356039.6	43278986.78	59920666.57	40505013.87	54291898.52	72127439.97	46109096.82	50260586.83	56943324.41	50196600.45	43651038.53	45453313.53	63056424.7	51034002.62	54321646.13	46772183.45	50280305.96	44294015.23	38307520.22	48423876.73	59035031.67	45825826.04
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
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
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
Thiamine	33982536.42	30443374.94	41856459.56	29566447.41	34679500.49	39010762.04	26646939.64	26886830.81	28807356.05	19185725.41	36504464.65	46479573.68	49980428.09	32753784.39	33179502.64	46301225.35	32716773.83	36752949.65	38926775.06	45053484.65	41625078.93	30638833.58	31026639.48	27743065.86
Threonine	14284297.68	10425626.4	12661410.09	10483261.42	11481672.58	14031025.44	10403603.65	7867217.47	11794406.85	3853382.395	9965869.197	15639920.88	15657080.12	11375597.2	12524812.19	14759575.16	11211665.88	11242132.11	12320909.27	14504777.66	13090472.4	9228745.156	11426584.19	8676082.129
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
Trimethylamine-d9 N-oxide	156650894.9	155648225.3	148341375.3	157551672.9	148666213.7	155978381.8	153483153.9	149134070	150542778.5	119931146.2	153724578.4	146962534.3	142290190.2	159382888.1	151700778.5	155290473	159419526.3	156406811.5	156973953.5	147427220.2	156508731.6	155327235.2	144255972.1	147667445.8
Trimethylamine-N-oxide	6964541.014	7520117.569	6968997.288	7574483.344	8083600.552	7375084.024	5453946.272	7694353.275	6894846.002	4167546.942	7888903.885	6201704.197	5458262.318	5872968.516	7709285.92	6717865.943	7421695.253	7734122.323	6945182.743	7454643.574	6737980.003	7650088.281	6783059.458	7995697.173
Tryptophan	7128532.644	4884453.352	5824351.577	5175430.408	5615883.459	6419870.099	5309775.315	4261636.41	5593417.724	2007841.762	4859523.425	6394581.645	6897890.752	6132789.387	7190063.568	8504581.93	4271157.013	6205164.592	6843426.202	6362321.591	6421683.071	4941802.572	6675967.17	4911596.911
Tyrosine	8268361.417	5727785.657	6900839.788	5193780.392	7181838.492	6889401.548	6295588.335	4240778.027	5493258.341	2552651.808	5426497.938	9364920.066	9261266.872	6191318.055	8539090.258	9321071.693	6457714.651	5395986.433	7969835.227	9166819.605	7830633.252	5619632.595	7799064.453	4286606.778
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
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
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
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
Valerobetaine	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-d9	62541472.17	68239935.74	61980632.28	63047588.76	60967325.04	63804828.28	60435485.57	61585314.76	63843116.95	56213761.62	65912558.3	55811703.05	54147884.25	63304862.01	61341567.9	61325128.31	69689765.53	64818598.6	68167482.41	62837517.96	61784905.76	66198179.71	57635129.66	58990000.9
Valine	8357909.109	5350421.327	5242294.444	4178111.203	8433113.836	3677684.077	6658156.499	7007775.307	4796241.839	3915008.445	6496484.242	8178446.486	8269942.261	4667312.561	9063615.643	8710252.312	6898482.886	5000546.029	7613442.336	6284887.024	4377220.567	4688973.1	9728714.416	3420909.422
Valine-d8	53795767.06	49939236.54	45356039.6	43278986.78	59920666.57	40505013.87	54291898.52	72127439.97	46109096.82	50260586.83	56943324.41	50196600.45	43651038.53	45453313.53	63056424.7	51034002.62	54321646.13	46772183.45	50280305.96	44294015.23	38307520.22	48423876.73	59035031.67	45825826.04
Xanthine	3069673.477	2416616.253	3205871.232	3040673.605	2360585.519	3486100.815	2252054.76	2254481.094	2925905.207	1610365.131	2210710.419	2912636.457	2972117.81	3136494.84	2622764.208	2648802.233	2592579.74	2711922.093	2699454.876	3135750.001	3182065.773	2564971.148	2690298.559	2633290.995
Xanthosine	5079925.502	8733582.327	7648896.009	6936642.809	4052884.834	9176959.871	5205181.522	5394133.271	7671387.67	3800482.257	7097288.456	5836951.39	6371064.477	8644410.864	5672638.234	7027768.878	6755430.202	7756283.683	6315727.396	8912849.908	7851038.078	6005372.528	5689763.891	8208111.809
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	Expected RT	MS1_mz	MS2_mz
1-Methylhistidine	6.35	170	124
1-Methylnicotinamide	4.34	137	94
1-Methylxanthine	2.9	167	110
1-Methylxanthosine	2.79	299	167.1
1,3-15N2-Uric acid	5.17	171.1	143
13C10,15N5-Adenosine	3.88	283	146.1
13C3-Thiamine	5.12	268	122.1
13C5-Hypoxanthine	3.74	142.2	124
13C5-Xanthosine	4.56	290	153
15N4-Inosine	4.35	273.1	141
2-Aminobenzoic acid	1.05	138.1	92
3-Hydroxy-N6,N6,N6-Trimethyllysine	6.77	205.2	128.1
3-Hydroxybutyric acid	1.3	105	87
3-Hydroxykynurenine	0.95	225.1	179.1
3-Hydroxytyrosol	3.74	137.1	119
3-Methoxytyrosine	5.32	212.1	166.1
3-Methylxanthine	3.1	167	69
3-Methylxanthosine	2.98	299.1	167.1
4-Hydroxyproline	5.9	132	68.1
4-Trimethylammoniobutanal	6.86	130.1	71.1
5-Glutamylalanine	7	219.1	90.1
5-Hydroxyindoleacetic acid	1.6	192.1	146.1
5-Hydroxytryptophan	4.9	221.1	175
5'-Methylthioadenosine	2.83	298	136
6-Aminouracil	4.3	128	85
6C13-Phenylalanine	4.92	172.1	126.1
6C13-Tyrosine	5.42	188.1	142.1
7-alpha-Hydroxy-3-oxo-4-cholestenoate	1.52	431.3	395.3
7-Methylguanine	4.32	166.1	124.1
7-Methylguanosine	5.48	298	166
7-Methylxanthine	3.3	167.1	69
7-Methylxanthosine	3.2	299.2	167.1
8-Hydroxy-deoxyguanosine	5.18	284.1	140
8-Oxo-deoxyguanosine-13C,15N2	4.8	300	168
8-Hydroxyguanosine	4.76	287.3	171
9-Hexadecenoylcarnitine	3.12	398.3	85
Acetylcarnitine	4.2	204.1	85
Acetylcarnitine-d3	4.24	207.1	85
Adenine	4.05	136.1	119
Adenosine	3.87	268.2	136.1
Adenosine diphosphate ribose	7.33	560.1	136.1
Adenosylcobalamin	6	801.5	676.3
AICA-riboside	4.43	259	110
Alanine	5.87	90.1	44.2
Alanine-d4	5.82	94.1	48.1
alpha-Tocopherol	1	431.4	165.1
Arabitol	4.7	153.1	153.1
Arginine	6.86	175.1	70
Arginine-d4C13	6.85	180.1	75
Ascorbate	3.8	177	95
Asparagine	6.21	133.1	74
Aspartic acid	6.33	134	74
Aspartic acid-d3	6.46	137	75
Asymmetric dimethylarginine	6.44	203.2	70.3
Betaine	5.17	118.1	59.1
Betaine-d11	4.94	129.1	68.1
Bilirubin	1.01	585.3	299.1
Butyrobetaine	4.3	146.1	87
Butyrylcarnitine	3.68	232.2	85
Butyrylcarnitine-d3	3.83	235.2	85
Cadaverine	7.21	102.9	86.1
cADPRibose	7.14	542.1	136.1
Caffeine	1.26	195.1	138
Capsaicin	1.05	306.2	137.1
Carnitine	4.99	162.1	103.1
Carnitine-d9	4.99	171.2	85
Choline	3.97	104	60
Citrulline	6.36	176.1	113.1
Citrulline-d2	6.24	178.1	115.1
Cotinine	1.77	177.1	80
Creatine	5.76	132	90
Creatinine	4.27	114	44.1
Creatinine-d3	4.24	117	86
Curcumin	1.01	369	177
Cyanocobalamin	6.09	678.5	997.5
Cystathionine	7	223.1	134
Cysteine	5.65	122	76
Cysteinylglycine	6.86	179.1	162.2
Cystine	7.25	241	74
Cytosine	4.94	112.1	94.9
Decanoylcarnitine	3.33	316.2	85
Demethoxycurcumin	1.31	339.1	255.2
Deoxyadenosine	3.67	252.1	136
Deoxyguanosine	4.67	268.1	152
Deoxyinosine	3.6	253	137
Dimethylethanolamine	4.25	90	72
Dimethylglycine	5.41	104	58
DNL201	1.08	340.3	313.2
Dodecanoylcarnitine	3.85	343.3	85
Dopa	5.62	198	152
Dopamine	4.54	154	137
Dopamine 3-o-sulfate	3.7	234	137.1
Dopamine 4-o-sulfate	3.9	234.1	137.2
Epinephrine	4.73	166	107
Ergothioneine	5.71	230.1	127
Ethanolamine	5.23	62	44.2
Formylanthranilic acid	1.3	166	120
gamma-Aminobutyric acid	5.08	104.1	87
Gamma-Glutamylcysteine	6.46	251.1	122
Glucosamine	6.45	180	162
Glucose	5.31	202.8	202.8
Glutamic acid-d3	5.97	151	133.1
Glutamic acid	6.07	148.1	84
Glutamine	6.22	147.1	84
Glutathione	6.11	308.1	179.1
Glutathione disulfide	7.48	613.2	355.1
Glutathione-(glycine-13C2,15N)	6.1	311.3	182.1
Glycerophosphocholine	6.24	258.1	104
Glycine	5.92	76	30
Guanine	4.72	152.2	110
Guanosine	5.09	284.1	152
Hexanoylcarnitine	3.46	260.2	85
Histamine	6.5	112.1	95
Histidine	6.93	156.1	110.1
Homocysteine	5.05	136.1	90.1
Homoserine	5.88	120.2	56.2
Hydroxybutyrylcarnitine	4.65	248.2	85
Hydroxyhexanoylcarnitine	4.71	276.2	85
Hydroxyisovaleroyl carnitine	4.3	262.2	85
Hydroxypropionylcarnitine	4.9	234.1	85
Hypoxanthine	3.75	137.2	118.8
Imidazoleacetic acid	5.18	127	81
Indole	1	118	91
Inosine	4.33	269.1	137
Isovalerylcarnitine	3.56	246.2	85
Isovalerylcarnitine-d9	3.55	255.2	85
Kynurenic acid	4.27	190.1	116
Kynurenine	4.81	209	146
Leucine	4.94	132.1	86
Leucine-d3	4.74	135.1	89.1
Linoleyl carnitine	3.05	424.3	85
LPC(18:1(d7))	3.85	529.3	184.1
Lysine	6.93	147.1	84
Mannitol	5.44	183	69
Mannose	5.5	202.8	202.8
Melatonin	3.67	233.1	174.1
Methionine	5.04	150.1	104.1
Methionine S-oxide	6.05	166.1	74
Methionine-d3	5.23	153.1	107
Methylcobalamin	6.04	673	971.5
Myristoylcarnitine	2.9	372	85
Myristoylcarnitine-d9	3.15	381.4	85
N-Acetylalanine	1.8	160.1	72.1
N-Acetylaspartic acid	3.42	176.1	176.1
N-Acetylcysteine	1.3	163	121.2
N-Acetylglutamic acid	3.49	189	130
N-Acetylneuraminic acid	6.69	310.1	274
N-Acetylputrescine	4.89	131.1	114
N-Acetylserine	3.38	148	106
N-Alpha-acetyllysine	5.69	189	84
N,N'-Bis(gamma-glutamyl)cystine	7	499.1	453.1
N1-Acetylspermidine	6.4	188.2	171
N1-Acetylspermidine-d6	6.5	194.3	106.2
N1-Acetylspermine	7.7	245.2	100.1
N1-N12-Diacetylspermine	6.1	287.2	100.1
N1-N8-Diacetylspermidine	4.93	230.5	100.2
N1-N8-Diacetylspermidine-d6	4.93	236.2	103.2
N15C13-Glycine	5.92	78	32
N6,N6,N6-Trimethyllysine	6.62	189.2	84.1
NAD	7.13	664.1	428.2
Niacinamide	1.86	123.1	80
Niacinamide-d4	1.88	127	84
Nicotinamide mononucleotide	6.6	335.2	123.1
Nicotinamide riboside	5.48	255	123
Nicotinic acid	1.87	124.1	78
Nitrotyrosine	4.78	227.1	210
Nonanoylcarnitine	3.3	302.2	85
Norepinephrine	5.1	152	107
Octanoylcarnitine	3.31	288.2	85
Octanoylcarnitine-d3	3.44	291.2	85
Ornithine	6.98	133	70
Ornithine-d2	6.98	135.1	117.2
Palmitoylcarnitine	3	400	85
Palmitoylcarnitine-d3	3.08	403.4	85
Paraxanthine	1.85	181.1	124
Phenylalanine	4.91	166.1	120.1
Piperanine	1.34	288.2	135.2
Piperine	1.04	286.1	201.1
Pipernonaline	1.3	342.1	229.2
Piperyline	1.39	272.2	201.1
Proline	5.27	116	70.1
Propionylcarnitine	3.84	218.1	85
Propionylcartinine-d3	4	221.2	85
Putrescine	6.3	89	72
Pyridoxamine	6.06	169	152
Pyroglutamic acid	3.29	130	84
S-Adenosylhomocysteine	6.23	385.1	136
S-Adenosylmethionine	7.13	399	250
Sarcosine	5.75	90	44.1
Serine	6.14	106	60
Serotonin	4.42	177	160
Spermidine	7.8	146.2	72
Spermine	4.95	203.1	129.1
Stearoylcarnitine	3.02	428.4	85
Sucrose	6	364.8	202.8
Taurine	5.37	126	80.1
Tetrahydrocurcumin	1.38	355	137.1
Theobromine	2.1	181	138.3
Theophylline	1.7	181.1	124
Thiamine	5.11	265	122
Threonine	5.87	120	74
Trigonelline	5.3	138.1	94.1
Trimethylamine-d9 N-oxide	4.17	85	66
Trimethylamine-N-oxide	4.03	76.1	58.1
Tryptophan	4.75	205	146.1
Tyrosine	5.26	182.1	136
Uracil	2.47	113	70
Ureidopropionic acid	3.24	133	115
Uric acid	5.28	169.1	141
Uridine	3.91	245	113
Valerobetaine	4.09	160	101.1
Valerobetaine-d9	4.09	169.1	101.1
Valine	5.18	118.1	55
Valine-d8	5.32	126	80.1
Xanthine	4.05	153	110
Xanthosine	4.71	285	153
METABOLITES_END
#END