#METABOLOMICS WORKBENCH Kazuya_Ohno_20220418_003737 DATATRACK_ID:3207 STUDY_ID:ST002153 ANALYSIS_ID:AN003527 PROJECT_ID:PR001366
VERSION             	1
CREATED_ON             	April 19, 2022, 12:02 am
#PROJECT
PR:PROJECT_TITLE                 	Improvement of cognitive function by B. breve MCC1274 and elucidation of its
PR:PROJECT_TITLE                 	mechanism of action
PR:PROJECT_SUMMARY               	Although many studies have suggested that probiotics could modulate various
PR:PROJECT_SUMMARY               	brain functions via the gut-brain axis, little is known about the mechanism
PR:PROJECT_SUMMARY               	underlying this process. We previously reported the beneficial effects of a
PR:PROJECT_SUMMARY               	probiotic strain, Bifidobacterium breve MCC1274, on cognitive function in
PR:PROJECT_SUMMARY               	preclinical and clinical studies. Recently, we showed that administration of
PR:PROJECT_SUMMARY               	this strain reduced amyloid-beta production, inhibited microglial activation,
PR:PROJECT_SUMMARY               	and suppressed inflammatory responses in the brains of APP knock-in (AppNL-G-F)
PR:PROJECT_SUMMARY               	mice. To elucidate the mechanism of action of this probiotic strain in an
PR:PROJECT_SUMMARY               	Alzheimer's disease-like model, we orally fed 3-month-old mice with B. breve
PR:PROJECT_SUMMARY               	MCC1274 or saline for 4 months and comprehensively investigated metabolites in
PR:PROJECT_SUMMARY               	plasma using CE-FTMS and LC-TOFMS.
PR:INSTITUTE                     	Morinaga milk industry CO., LTD.
PR:DEPARTMENT                    	Next generation science institute
PR:LABORATORY                    	Frontier research section
PR:LAST_NAME                     	Ohno
PR:FIRST_NAME                    	Kazuya
PR:ADDRESS                       	1-83 5-Chome Higashihara, Zama-city, Kanagawa-Pref. Japan
PR:EMAIL                         	kazuya-oono443@morinagamilk.co.jp
PR:PHONE                         	81462523067
#STUDY
ST:STUDY_TITLE                   	Data from plasma metabolome analysis of APP-KI and Wild type mice treated with
ST:STUDY_TITLE                   	B. breve MCC1274
ST:STUDY_SUMMARY                 	Recently, we showed that administration of B. breve MCC1274 reduced amyloid-beta
ST:STUDY_SUMMARY                 	production, inhibited microglial activation, and suppressed inflammatory
ST:STUDY_SUMMARY                 	responses in the brains of APP knock-in (AppNL-G-F) mice. To elucidate the
ST:STUDY_SUMMARY                 	mechanism of action of this probiotic strain in an Alzheimer's disease-like
ST:STUDY_SUMMARY                 	model, we orally fed 3-month-old mice with B. breve MCC1274 or saline for 4
ST:STUDY_SUMMARY                 	months and comprehensively investigated metabolites in plasma using CE-FTMS and
ST:STUDY_SUMMARY                 	LC-TOFMS.
ST:INSTITUTE                     	Morinaga milk industry CO., LTD.
ST:DEPARTMENT                    	Next generation science institute
ST:LABORATORY                    	Frontier research section
ST:LAST_NAME                     	Ohno
ST:FIRST_NAME                    	Kazuya
ST:ADDRESS                       	1-83 5-Chome Higashihara, Zama-city, Kanagawa-Pref. Japan
ST:EMAIL                         	kazuya-oono443@morinagamilk.co.jp
ST:PHONE                         	81462523067
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
SU:GENOTYPE_STRAIN               	AppNL-G-F or wild type mice
SU:AGE_OR_AGE_RANGE              	7 months old
SU:GENDER                        	Male and female
SU:ANIMAL_ANIMAL_SUPPLIER        	RIKEN Center for Brain Science
SU:ANIMAL_LIGHT_CYCLE            	12 hours light and dark cycle
#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           	-	WC-1	Model:Wild type | Intervention:Saline	
SUBJECT_SAMPLE_FACTORS           	-	WC-2	Model:Wild type | Intervention:Saline	
SUBJECT_SAMPLE_FACTORS           	-	WC-3	Model:Wild type | Intervention:Saline	
SUBJECT_SAMPLE_FACTORS           	-	WC-4	Model:Wild type | Intervention:Saline	
SUBJECT_SAMPLE_FACTORS           	-	WT-1	Model:Wild type | Intervention:B. breve MCC1274	
SUBJECT_SAMPLE_FACTORS           	-	WT-2	Model:Wild type | Intervention:B. breve MCC1274	
SUBJECT_SAMPLE_FACTORS           	-	WT-3	Model:Wild type | Intervention:B. breve MCC1274	
SUBJECT_SAMPLE_FACTORS           	-	WT-4	Model:Wild type | Intervention:B. breve MCC1274	
SUBJECT_SAMPLE_FACTORS           	-	AC-1	Model:Alzheimer’s disease model | Intervention:Saline	
SUBJECT_SAMPLE_FACTORS           	-	AC-2	Model:Alzheimer’s disease model | Intervention:Saline	
SUBJECT_SAMPLE_FACTORS           	-	AC-3	Model:Alzheimer’s disease model | Intervention:Saline	
SUBJECT_SAMPLE_FACTORS           	-	AC-4	Model:Alzheimer’s disease model | Intervention:Saline	
SUBJECT_SAMPLE_FACTORS           	-	AT-1	Model:Alzheimer’s disease model | Intervention:B. breve MCC1274	
SUBJECT_SAMPLE_FACTORS           	-	AT-2	Model:Alzheimer’s disease model | Intervention:B. breve MCC1274	
SUBJECT_SAMPLE_FACTORS           	-	AT-3	Model:Alzheimer’s disease model | Intervention:B. breve MCC1274	
SUBJECT_SAMPLE_FACTORS           	-	AT-4	Model:Alzheimer’s disease model | Intervention:B. breve MCC1274	
#COLLECTION
CO:COLLECTION_SUMMARY            	Plasma samples were obtained from AD-like model and wild-type mice orally
CO:COLLECTION_SUMMARY            	administered B. breve MCC1274 or saline for 4 months.
CO:SAMPLE_TYPE                   	Blood (plasma)
CO:STORAGE_CONDITIONS            	-80℃
#TREATMENT
TR:TREATMENT_SUMMARY             	Three-month-old AppNL-G-F and wild type mice were randomly assigned to a vehicle
TR:TREATMENT_SUMMARY             	group and a probiotic group. The vehicle group received saline, and the
TR:TREATMENT_SUMMARY             	probiotic group received B. breve MCC1274 (1 × 10^9 cfu/200 μl saline/mouse)
TR:TREATMENT_SUMMARY             	orally 5 times a week for 4 months.
TR:TREATMENT_COMPOUND            	Bifidobacterium breve MCC1274
TR:TREATMENT_ROUTE               	oral administration
TR:TREATMENT_DOSEVOLUME          	1 × 10^9 cfu/200 μl saline
TR:TREATMENT_VEHICLE             	saline
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	For CE-FTMS, 40 µL of plasma was added to 160 µL of methanol containing
SP:SAMPLEPREP_SUMMARY            	internal standards at 0°C, 120 µL of Milli-Q water was added and mixed
SP:SAMPLEPREP_SUMMARY            	thoroughly, and 240 µL of this mixture was added to a Millipore 5 kDa cutoff
SP:SAMPLEPREP_SUMMARY            	filter (ULTRAFREE MC PLHCC, HMT) at 9100 × g for 120 min at 4°C to remove
SP:SAMPLEPREP_SUMMARY            	macromolecules. The filtrate was evaporated to dryness under vacuum, dissolved
SP:SAMPLEPREP_SUMMARY            	in 40 µL Milli-Q water, and donated to HMT's ω Scan package using capillary
SP:SAMPLEPREP_SUMMARY            	electrophoresis Fourier transform mass spectrometry (CE-FTMS).For LC-TOFMS, 80
SP:SAMPLEPREP_SUMMARY            	µL of plasma was added to 240 µL of 1% formic acid/acetonitrile containing
SP:SAMPLEPREP_SUMMARY            	internal standards at 0ºC. The mixture was centrifuged at 2,300 x g, 4ºC for 5
SP:SAMPLEPREP_SUMMARY            	min, then centrifuged at 2,300 x g, 4ºC for 5 min, followed by centrifugation
SP:SAMPLEPREP_SUMMARY            	of a hybrid SPE phospholipid cartridge (30 mg/mL of hybrid SPE-phospholipid, 30
SP:SAMPLEPREP_SUMMARY            	mg/mL of (SUPELCO) and filtered to remove phospholipids. The filtrate was then
SP:SAMPLEPREP_SUMMARY            	evaporated to dryness under nitrogen, dissolved in 80 μL of 50% isopropanol
SP:SAMPLEPREP_SUMMARY            	(v/v), and metabolomic analysis was performed using liquid chromatography
SP:SAMPLEPREP_SUMMARY            	time-of-flight mass spectrometry (LC-TOFMS).
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Agilent 1200
CH:COLUMN_NAME                   	ODS column
CH:INTERNAL_STANDARD             	H3304-1002, Human Metabolome Technologies, Inc. (HMT), Tsuruoka, Yamagata, Japan
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Agilent 6210 TOF
MS:INSTRUMENT_TYPE               	Triple TOF
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	UNSPECIFIED
MS:MS_COMMENTS                   	The spectrometer was scanned from m/z 50 to 1,000 and peaks were extracted using
MS:MS_COMMENTS                   	MasterHands, automatic integration software (Keio University, Tsuruoka,
MS:MS_COMMENTS                   	Yamagata, Japan)
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	peak area
MS_METABOLITE_DATA_START
Samples	WC-1	WC-2	WC-3	WC-4	WT-1	WT-2	WT-3	WT-4	AC-1	AC-2	AC-3	AC-4	AT-1	AT-2	AT-3	AT-4
Factors	Model:Wild type | Intervention:Saline	Model:Wild type | Intervention:Saline	Model:Wild type | Intervention:Saline	Model:Wild type | Intervention:Saline	Model:Wild type | Intervention:B. breve MCC1274	Model:Wild type | Intervention:B. breve MCC1274	Model:Wild type | Intervention:B. breve MCC1274	Model:Wild type | Intervention:B. breve MCC1274	Model:Alzheimer’s disease model | Intervention:Saline	Model:Alzheimer’s disease model | Intervention:Saline	Model:Alzheimer’s disease model | Intervention:Saline	Model:Alzheimer’s disease model | Intervention:Saline	Model:Alzheimer’s disease model | Intervention:B. breve MCC1274	Model:Alzheimer’s disease model | Intervention:B. breve MCC1274	Model:Alzheimer’s disease model | Intervention:B. breve MCC1274	Model:Alzheimer’s disease model | Intervention:B. breve MCC1274
1,2-Dipalmitoyl-glycero-3-phosphoethanolamine-1	N.D.	2.4E-05	2.2E-05	2.5E-05	2.1E-05	2.2E-05	N.D.	3.6E-05	N.D.	N.D.	1.4E-05	2.4E-05	2.5E-05	1.8E-05	2.4E-05	N.D.
1,2-Dipalmitoyl-glycero-3-phosphoethanolamine-2	1.3E-05	2.0E-05	2.7E-05	1.3E-05	1.5E-05	2.3E-05	2.4E-05	N.D.	N.D.	N.D.	N.D.	N.D.	2.2E-05	1.6E-05	1.4E-05	N.D.
1,2-Distearoyl-glycero-3-phosphocholine	9.8E-05	8.8E-05	1.2E-04	3.9E-05	2.0E-04	2.4E-04	2.0E-04	N.D.	1.1E-04	5.5E-05	4.2E-05	7.1E-05	1.4E-04	N.D.	7.1E-05	7.6E-05
1-Myristoyl-glycero-3-phosphocholine	N.D.	2.7E-05	2.8E-05	6.5E-05	5.7E-05	4.9E-05	N.D.	N.D.	N.D.	N.D.	6.2E-05	1.2E-04	7.3E-05	N.D.	4.8E-05	N.D.
15(S)-HETE	2.7E-05	2.1E-05	1.3E-05	2.4E-05	1.3E-05	2.3E-05	1.7E-05	2.5E-04	3.2E-05	4.1E-05	8.7E-05	9.5E-05	3.4E-05	3.8E-05	3.7E-05	2.2E-05
"17α-Hydroxyprogesterone-1 Deoxycorticosterone-1"	3.1E-05	4.9E-05	N.D.	2.3E-05	2.5E-05	4.3E-05	4.2E-05	3.1E-05	2.1E-05	6.1E-05	7.3E-05	5.4E-05	3.0E-05	1.9E-05	N.D.	5.8E-05
"17α-Hydroxyprogesterone-2 Deoxycorticosterone-2 5β-pregnane-3α,21-diol-11,20-dione"	4.5E-04	3.7E-04	8.6E-05	3.2E-04	2.6E-04	2.5E-04	6.8E-05	5.4E-04	3.7E-04	2.1E-04	2.7E-04	3.8E-04	3.9E-04	3.2E-04	6.1E-05	1.2E-04
17α-Hydroxyprogesterone-3	2.1E-05	3.8E-05	2.3E-05	2.1E-05	N.D.	3.4E-05	6.6E-05	3.5E-05	N.D.	2.5E-05	4.2E-05	5.0E-05	2.9E-05	N.D.	2.0E-05	4.5E-05
2-Arachidonoylglycerol-1	1.2E-05	N.D.	5.7E-05	1.7E-05	N.D.	N.D.	N.D.	3.2E-05	N.D.	5.0E-05	N.D.	N.D.	4.3E-05	3.8E-05	N.D.	2.4E-05
2-Arachidonoylglycerol-2	4.2E-04	7.1E-04	9.5E-04	5.5E-04	8.5E-04	7.0E-04	6.4E-04	7.5E-04	7.1E-04	7.6E-04	4.2E-04	4.5E-04	7.4E-04	1.0E-03	N.D.	9.7E-04
2-Hydroxytetradecanoic acid-1	1.1E-05	N.D.	N.D.	N.D.	N.D.	N.D.	6.2E-06	5.3E-06	N.D.	8.6E-06	N.D.	N.D.	N.D.	9.3E-06	N.D.	N.D.
"2-Hydroxytetradecanoic acid-2 3-Hydroxytetradecanoic acid-2"	1.9E-05	1.3E-05	9.1E-06	6.6E-06	9.6E-06	9.3E-06	1.8E-05	2.4E-05	1.4E-05	1.3E-05	1.6E-05	7.6E-06	1.2E-05	1.7E-05	3.7E-06	1.2E-05
20α-Hydroxycholesterol	6.1E-05	1.0E-04	5.2E-05	N.D.	N.D.	N.D.	5.2E-05	4.9E-05	N.D.	1.2E-04	3.7E-05	N.D.	6.4E-05	4.5E-05	N.D.	2.7E-05
20α-Hydroxyprogesterone	2.3E-04	N.D.	N.D.	2.1E-04	2.0E-04	2.3E-05	N.D.	2.4E-04	4.8E-04	1.1E-04	2.2E-05	6.0E-04	1.4E-04	1.8E-04	N.D.	2.9E-05
21-Deoxycortisol-2	4.6E-05	1.6E-04	1.6E-04	6.6E-05	6.7E-05	1.3E-04	1.5E-04	3.5E-05	4.9E-05	1.0E-04	2.3E-04	5.1E-05	7.3E-05	7.4E-05	1.8E-04	1.5E-04
22-Hydroxycholesterol	N.D.	8.3E-05	N.D.	N.D.	7.7E-05	N.D.	N.D.	1.2E-04	N.D.	1.6E-04	N.D.	N.D.	6.3E-05	3.7E-05	N.D.	N.D.
3-Hydroxytetradecanoic acid-1	1.5E-05	3.2E-05	3.3E-05	1.9E-05	2.0E-05	2.2E-05	3.5E-05	6.2E-05	3.2E-05	3.6E-05	1.1E-05	1.7E-05	4.1E-05	3.0E-05	1.6E-05	1.7E-05
4-Androstene-3,17-dione	3.4E-05	8.4E-05	3.7E-05	4.7E-05	4.6E-05	4.6E-05	4.7E-05	5.2E-05	5.7E-05	7.9E-05	4.0E-05	3.9E-05	4.6E-05	3.8E-05	3.9E-05	4.2E-05
5-Methoxyindoleacetic acid	1.2E-04	2.3E-04	2.2E-04	1.1E-04	2.9E-04	3.4E-04	4.3E-04	3.1E-04	2.3E-04	1.6E-04	9.8E-05	1.5E-04	5.4E-04	3.6E-04	3.8E-04	3.4E-04
5α-Cholestan-3-one-1	1.6E-05	4.2E-05	2.8E-05	3.5E-05	3.3E-05	3.0E-05	4.1E-05	2.7E-05	2.9E-05	3.7E-05	4.0E-05	2.9E-05	5.5E-05	3.5E-05	3.9E-05	4.7E-05
5α-Cholestan-3-one-2	2.9E-04	2.7E-04	3.9E-04	3.2E-04	2.9E-04	2.9E-04	3.6E-04	2.2E-04	2.4E-04	3.4E-04	3.7E-04	2.8E-04	2.7E-04	2.6E-04	3.0E-04	3.7E-04
5α-Pregnan-3α-ol-20-one	N.D.	5.2E-05	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	7.1E-05	N.D.	4.7E-05	6.8E-05	5.9E-05	4.1E-05
"5α-Pregnane-3,20-dione Pregnenolone"	3.4E-05	3.0E-05	N.D.	N.D.	N.D.	4.8E-05	N.D.	4.3E-05	N.D.	5.6E-05	N.D.	N.D.	N.D.	N.D.	8.6E-05	N.D.
"7-Dehydrocholesterol-1 Desmosterol-1"	6.2E-05	4.7E-05	9.0E-05	7.6E-05	4.9E-05	6.0E-05	9.0E-05	6.3E-05	N.D.	8.5E-05	6.4E-05	7.6E-05	6.0E-05	7.2E-05	8.1E-05	9.9E-05
"7-Dehydrocholesterol-2 Desmosterol-2"	9.4E-05	1.0E-04	1.7E-04	1.5E-04	1.1E-04	6.5E-05	1.4E-04	1.3E-04	1.0E-04	1.2E-04	9.9E-05	1.4E-04	1.4E-04	7.7E-05	9.4E-05	1.2E-04
"7-Dehydrocholesterol-3 Desmosterol-3"	5.9E-05	N.D.	8.5E-05	N.D.	N.D.	7.2E-05	9.0E-05	N.D.	4.1E-05	N.D.	5.4E-05	5.6E-05	N.D.	7.7E-05	N.D.	6.5E-05
Abietic acid-1	2.2E-04	3.3E-04	3.8E-04	2.7E-04	5.1E-04	3.9E-04	3.6E-04	2.7E-04	2.2E-04	2.3E-04	2.6E-04	2.0E-04	2.8E-04	2.8E-04	3.6E-04	4.4E-04
Abietic acid-2	8.9E-05	1.2E-04	1.1E-04	1.3E-04	N.D.	8.0E-05	1.1E-04	1.0E-04	5.6E-05	8.8E-05	9.0E-05	1.5E-04	1.1E-04	1.1E-04	8.5E-05	8.9E-05
AC(10:0)	N.D.	N.D.	N.D.	8.6E-05	N.D.	6.6E-05	N.D.	8.6E-05	6.3E-05	N.D.	N.D.	6.9E-05	4.1E-05	6.2E-05	N.D.	N.D.
AC(12:0)-1	3.9E-05	N.D.	N.D.	8.5E-05	7.1E-05	N.D.	N.D.	1.1E-04	8.0E-05	6.9E-05	4.5E-05	4.2E-05	4.9E-05	6.1E-05	N.D.	3.4E-05
AC(12:0)-2	6.4E-05	9.0E-05	8.3E-05	1.3E-04	7.2E-05	9.8E-05	N.D.	1.8E-04	1.5E-04	1.0E-04	5.5E-05	1.0E-04	1.3E-04	1.4E-04	1.1E-04	1.9E-04
AC(12:1)	8.9E-05	4.6E-05	4.7E-05	2.2E-04	1.5E-04	7.4E-05	N.D.	2.0E-04	1.9E-04	7.3E-05	N.D.	1.1E-04	5.1E-05	2.0E-04	1.0E-04	7.6E-05
AC(13:1)	3.9E-05	3.2E-05	N.D.	7.1E-05	6.4E-05	4.3E-05	2.2E-05	1.2E-04	4.6E-05	3.5E-05	2.6E-05	4.4E-05	3.5E-05	6.6E-05	3.8E-05	3.6E-05
AC(14:0)-1	2.3E-04	3.1E-04	3.1E-04	5.8E-04	4.6E-04	4.1E-04	8.4E-05	7.9E-04	8.1E-04	4.0E-04	2.7E-04	4.6E-04	4.4E-04	7.0E-04	7.2E-04	7.6E-04
AC(14:0)-2	N.D.	N.D.	N.D.	N.D.	4.0E-05	N.D.	N.D.	N.D.	5.3E-05	3.2E-05	N.D.	N.D.	2.3E-05	3.6E-05	3.1E-05	3.5E-05
AC(14:1)-1	2.2E-04	3.1E-04	2.7E-04	6.7E-04	4.5E-04	4.5E-04	7.7E-05	6.5E-04	5.2E-04	3.5E-04	2.0E-04	5.0E-04	3.3E-04	7.2E-04	5.8E-04	5.5E-04
AC(14:1)-2	4.5E-05	6.3E-05	8.9E-05	1.0E-04	1.0E-04	9.4E-05	1.5E-05	1.0E-04	1.1E-04	8.9E-05	2.0E-05	7.9E-05	3.3E-05	1.5E-04	1.6E-04	1.3E-04
AC(14:1)-3	2.0E-05	N.D.	N.D.	4.4E-05	5.4E-05	2.3E-05	N.D.	8.6E-05	3.8E-05	1.6E-05	N.D.	3.4E-05	N.D.	3.6E-05	N.D.	N.D.
AC(14:2)	7.5E-05	1.3E-04	1.3E-04	2.4E-04	1.7E-04	1.9E-04	2.7E-05	2.5E-04	1.9E-04	1.0E-04	6.9E-05	1.5E-04	1.7E-04	2.4E-04	2.8E-04	2.2E-04
AC(14:3)	N.D.	7.1E-06	1.4E-05	2.0E-05	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	2.0E-05	N.D.	3.7E-05	2.4E-05	1.7E-05
AC(15:0)	4.5E-05	2.3E-05	2.9E-05	3.6E-05	4.0E-05	3.4E-05	N.D.	4.5E-05	3.9E-05	6.2E-05	3.6E-05	4.4E-05	1.9E-05	4.8E-05	4.6E-05	6.0E-05
AC(16:1)-1	4.5E-05	5.1E-05	N.D.	4.4E-05	1.2E-05	3.8E-05	1.8E-05	6.8E-05	4.8E-05	6.6E-05	7.3E-05	6.5E-05	3.7E-05	6.1E-05	3.1E-05	4.2E-05
AC(16:1)-2	3.6E-04	4.7E-04	6.3E-04	8.5E-04	6.0E-04	7.2E-04	1.2E-04	8.6E-04	9.6E-04	6.5E-04	2.9E-04	6.7E-04	7.0E-04	1.0E-03	9.7E-04	8.8E-04
AC(16:2)-1	4.5E-05	N.D.	1.1E-05	4.4E-05	3.7E-05	2.8E-05	2.1E-05	4.4E-05	6.6E-05	4.6E-05	N.D.	4.5E-05	1.4E-05	3.2E-05	1.8E-05	N.D.
AC(16:2)-2	1.1E-04	1.6E-04	1.8E-04	2.4E-04	2.4E-04	2.6E-04	6.0E-05	3.1E-04	2.6E-04	1.4E-04	1.1E-04	2.4E-04	1.8E-04	2.8E-04	3.2E-04	4.2E-04
AC(17:0)-1	N.D.	2.7E-05	N.D.	1.7E-05	2.4E-05	1.8E-05	N.D.	N.D.	N.D.	2.2E-05	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
AC(17:0)-2	2.5E-05	3.6E-05	3.3E-05	6.4E-05	6.2E-05	3.2E-05	N.D.	4.4E-05	6.7E-05	2.9E-05	3.2E-05	4.4E-05	6.4E-05	5.2E-05	7.7E-05	6.9E-05
AC(17:0)-3	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	1.6E-04	N.D.	N.D.	N.D.	N.D.	N.D.
AC(17:1)	N.D.	4.6E-05	2.9E-05	6.6E-05	5.7E-05	5.1E-05	N.D.	3.5E-05	6.4E-05	4.4E-05	2.8E-05	4.5E-05	3.5E-05	4.7E-05	6.4E-05	5.5E-05
AC(18:0)	4.7E-04	5.8E-04	4.5E-04	9.6E-04	6.2E-04	5.1E-04	2.0E-04	9.2E-04	9.5E-04	5.5E-04	7.7E-04	7.9E-04	6.2E-04	8.0E-04	7.5E-04	6.8E-04
AC(18:1)-1	N.D.	N.D.	N.D.	2.4E-05	4.3E-05	N.D.	N.D.	N.D.	5.3E-05	4.6E-05	N.D.	N.D.	N.D.	2.9E-05	N.D.	3.7E-05
AC(18:1)-2	2.1E-03	2.3E-03	2.7E-03	4.3E-03	2.9E-03	3.1E-03	6.4E-04	3.8E-03	4.2E-03	2.3E-03	2.3E-03	3.6E-03	2.8E-03	4.5E-03	4.4E-03	4.5E-03
AC(18:2)-1	4.3E-05	3.1E-05	N.D.	5.6E-05	8.7E-05	4.1E-05	N.D.	1.1E-04	7.5E-05	4.1E-05	4.8E-05	9.4E-05	4.5E-05	7.7E-05	8.6E-05	8.6E-05
AC(18:2)-2	9.9E-04	1.3E-03	1.3E-03	1.9E-03	1.6E-03	1.9E-03	4.3E-04	1.9E-03	1.9E-03	1.2E-03	1.3E-03	1.7E-03	1.5E-03	2.2E-03	2.3E-03	2.7E-03
AC(20:0)	4.6E-05	6.8E-05	5.9E-05	7.0E-05	6.1E-05	2.9E-05	1.5E-05	5.3E-05	7.4E-05	5.3E-05	1.1E-04	4.7E-05	5.2E-05	5.3E-05	6.6E-05	5.7E-05
AC(20:1)	1.6E-04	2.2E-04	1.9E-04	2.6E-04	2.5E-04	2.7E-04	1.3E-04	2.4E-04	1.8E-04	2.3E-04	2.7E-04	2.4E-04	1.9E-04	2.6E-04	3.3E-04	3.0E-04
AC(22:0)	2.7E-05	4.0E-05	3.2E-05	4.9E-05	2.6E-05	3.0E-05	1.0E-05	3.1E-05	5.1E-05	3.6E-05	8.1E-05	4.5E-05	3.8E-05	3.3E-05	6.6E-05	5.9E-05
AEA(18:3)	3.3E-05	2.3E-05	2.1E-05	N.D.	N.D.	N.D.	N.D.	N.D.	3.2E-05	N.D.	N.D.	N.D.	4.6E-05	N.D.	2.0E-05	2.4E-05
AEA(20:3)	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	2.6E-05	N.D.	N.D.	1.7E-05	N.D.	N.D.	N.D.
AEA(20:5)	N.D.	N.D.	N.D.	4.5E-05	9.6E-05	N.D.	1.3E-04	9.4E-05	N.D.	1.0E-04	N.D.	N.D.	7.6E-05	N.D.	1.0E-04	N.D.
AEA(22:4)-1	N.D.	N.D.	1.2E-04	N.D.	N.D.	N.D.	1.2E-04	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	2.6E-04	N.D.	6.9E-05
AEA(22:4)-2	2.5E-04	8.0E-05	N.D.	1.2E-04	2.3E-04	N.D.	2.2E-04	N.D.	1.5E-04	N.D.	3.7E-04	N.D.	N.D.	3.7E-04	N.D.	2.1E-04
AEA(22:6)	1.6E-04	1.8E-04	1.5E-04	1.6E-04	1.4E-04	1.4E-04	1.0E-04	1.7E-04	1.5E-04	1.6E-04	1.4E-04	1.8E-04	1.5E-04	1.9E-04	1.3E-04	1.6E-04
Anandamide	8.3E-05	N.D.	5.5E-05	8.6E-05	1.1E-04	1.0E-04	4.9E-05	1.5E-04	8.0E-05	N.D.	4.6E-05	1.2E-04	7.8E-05	1.4E-04	8.0E-05	7.9E-05
Androstanediol	N.D.	N.D.	N.D.	4.9E-05	N.D.	6.9E-05	N.D.	N.D.	6.7E-05	N.D.	N.D.	N.D.	N.D.	5.9E-05	N.D.	N.D.
Androsterone	5.0E-05	N.D.	N.D.	1.8E-05	N.D.	N.D.	3.6E-05	4.5E-05	N.D.	N.D.	3.2E-05	N.D.	3.5E-05	N.D.	N.D.	3.4E-05
Arachidic acid	4.2E-05	5.5E-05	7.1E-05	5.1E-05	6.8E-05	6.0E-05	8.7E-05	4.0E-05	3.4E-05	4.9E-05	6.5E-05	3.9E-05	1.7E-04	4.6E-05	5.1E-05	8.1E-05
Arachidonic acid	8.5E-03	5.8E-03	7.3E-03	9.2E-03	4.8E-03	6.0E-03	6.6E-03	9.3E-03	4.8E-03	4.9E-03	5.0E-03	9.3E-03	6.5E-03	6.7E-03	4.4E-03	4.9E-03
Asiatic acid-1	N.D.	N.D.	N.D.	N.D.	9.2E-06	6.3E-06	N.D.	3.9E-06	6.7E-06	N.D.	N.D.	N.D.	N.D.	6.1E-06	1.1E-05	9.6E-06
Asiatic acid-2	N.D.	N.D.	N.D.	N.D.	1.2E-05	N.D.	1.0E-05	5.8E-06	N.D.	8.6E-06	N.D.	N.D.	N.D.	N.D.	1.1E-05	1.2E-05
Astaxanthin	N.D.	2.4E-05	2.1E-05	N.D.	1.9E-05	N.D.	N.D.	N.D.	N.D.	2.2E-05	8.3E-06	N.D.	1.9E-05	1.1E-05	1.2E-05	1.6E-05
Baicalein	4.2E-04	5.9E-05	1.9E-05	2.8E-04	4.6E-04	1.1E-04	1.1E-04	4.1E-04	3.8E-04	1.9E-04	1.3E-04	2.2E-04	1.9E-04	3.1E-04	2.7E-04	1.5E-04
Behenic acid	1.6E-05	1.8E-05	1.6E-05	1.1E-05	2.2E-05	1.5E-05	2.6E-05	1.3E-05	1.1E-05	1.8E-05	2.2E-05	1.3E-05	2.9E-05	1.3E-05	2.2E-05	1.9E-05
Biotin	N.D.	N.D.	N.D.	N.D.	3.0E-05	N.D.	1.5E-05	N.D.	4.9E-05	N.D.	N.D.	N.D.	2.6E-05	4.3E-05	2.0E-05	3.5E-05
Caffeic acid	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	1.4E-05	6.1E-06	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Campesterol	1.3E-03	1.6E-03	2.0E-03	1.7E-03	1.1E-03	1.2E-03	1.6E-03	1.1E-03	1.1E-03	1.6E-03	1.5E-03	1.5E-03	1.6E-03	1.1E-03	1.1E-03	1.6E-03
Chenodeoxycholic acid	1.2E-05	N.D.	N.D.	1.2E-05	3.1E-04	N.D.	1.0E-05	2.9E-05	4.6E-05	4.8E-04	N.D.	1.2E-05	2.2E-05	1.9E-05	1.8E-04	8.7E-05
Cholesterol	5.1E-02	5.2E-02	7.0E-02	6.2E-02	5.1E-02	4.9E-02	6.6E-02	4.3E-02	4.7E-02	5.9E-02	6.1E-02	6.7E-02	5.7E-02	4.3E-02	5.7E-02	6.3E-02
Cholesterol sulfate	7.2E-03	5.7E-03	5.3E-03	8.4E-03	5.8E-03	5.7E-03	6.6E-03	6.6E-03	7.6E-03	7.2E-03	5.3E-03	7.7E-03	6.2E-03	5.8E-03	6.4E-03	7.4E-03
Cholic acid	4.1E-04	9.2E-05	3.9E-04	7.6E-04	2.5E-02	4.4E-04	3.1E-04	9.3E-04	4.5E-03	1.4E-02	1.3E-04	1.5E-04	4.2E-04	1.5E-03	1.2E-02	1.1E-02
cis-11,14-Eicosadienoic acid-1	1.1E-05	1.1E-05	1.3E-05	1.3E-05	1.0E-05	N.D.	9.6E-06	2.1E-05	1.1E-05	8.7E-06	5.8E-06	1.1E-05	2.2E-05	1.6E-05	1.1E-05	N.D.
cis-11,14-Eicosadienoic acid-2	1.8E-04	2.6E-04	3.1E-04	2.1E-04	2.0E-04	2.7E-04	2.4E-04	2.5E-04	2.1E-04	2.0E-04	1.9E-04	2.3E-04	2.2E-04	2.5E-04	2.4E-04	2.5E-04
cis-11,14-Eicosadienoic acid-3	3.2E-05	4.9E-05	4.8E-05	3.4E-05	4.5E-05	4.4E-05	3.7E-05	3.9E-05	2.0E-05	3.8E-05	4.4E-05	3.2E-05	3.5E-05	4.5E-05	4.4E-05	5.4E-05
cis-11-Eicosenoic acid	4.7E-04	6.0E-04	7.5E-04	5.3E-04	6.0E-04	7.7E-04	7.7E-04	5.0E-04	3.6E-04	4.3E-04	4.6E-04	5.4E-04	8.4E-04	6.2E-04	7.2E-04	7.9E-04
cis-4,7,10,13,16,19-Docosahexaenoic acid-1	3.3E-03	4.5E-03	5.8E-03	3.6E-03	2.5E-03	3.6E-03	3.6E-03	3.4E-03	3.3E-03	3.1E-03	3.0E-03	4.7E-03	3.6E-03	4.1E-03	2.7E-03	3.2E-03
cis-4,7,10,13,16,19-Docosahexaenoic acid-2	1.6E-04	2.0E-04	3.9E-04	1.8E-04	1.2E-04	2.5E-04	2.1E-04	1.8E-04	1.4E-04	1.4E-04	8.7E-05	2.8E-04	1.2E-04	2.2E-04	1.9E-04	1.4E-04
cis-5,8,11,14,17-Eicosapentaenoic acid	1.9E-03	2.6E-03	3.0E-03	1.9E-03	1.5E-03	1.9E-03	2.2E-03	1.9E-03	1.3E-03	1.5E-03	1.5E-03	2.3E-03	2.4E-03	2.2E-03	1.5E-03	1.6E-03
cis-8,11,14-Eicosatrienoic acid	4.8E-04	6.2E-04	7.5E-04	4.9E-04	4.0E-04	5.1E-04	5.6E-04	6.1E-04	3.8E-04	3.8E-04	3.2E-04	5.6E-04	5.7E-04	5.3E-04	4.5E-04	4.6E-04
Corosolic acid	1.7E-04	1.3E-04	9.6E-05	1.1E-04	1.2E-04	1.7E-04	1.0E-04	1.3E-04	1.1E-04	1.3E-04	1.4E-04	1.3E-04	1.2E-04	1.3E-04	1.5E-04	1.4E-04
"Cortexolone Corticosterone 21-Deoxycortisol-1"	7.6E-03	5.3E-03	2.7E-03	7.1E-03	6.3E-03	3.7E-03	3.7E-03	7.6E-03	7.7E-03	5.4E-03	4.1E-03	4.8E-03	6.5E-03	7.4E-03	4.0E-03	3.6E-03
"Cortisol-1 18-Hydroxycorticosterone Humulone-1"	4.6E-05	7.6E-05	3.9E-05	5.3E-05	3.0E-05	2.5E-05	3.6E-05	7.2E-05	6.8E-05	5.4E-05	3.2E-05	5.4E-05	4.0E-05	4.6E-05	4.9E-05	4.8E-05
"Cortisol-2 Humulone-2"	2.2E-05	2.4E-05	N.D.	3.9E-05	3.9E-05	N.D.	N.D.	3.6E-05	3.8E-05	2.3E-05	N.D.	3.0E-05	2.4E-05	2.8E-05	N.D.	2.4E-05
"Cycloartenol Lanosterol"	1.2E-04	1.2E-04	1.2E-04	1.5E-04	2.2E-04	1.2E-04	2.0E-04	1.6E-04	8.9E-05	1.4E-04	1.1E-04	1.0E-04	2.5E-04	1.4E-04	1.6E-04	1.9E-04
Daidzein	1.7E-04	7.1E-05	3.0E-05	1.0E-04	2.1E-04	9.6E-05	1.4E-04	1.2E-04	8.3E-05	6.8E-05	9.5E-05	4.8E-05	1.1E-04	1.1E-04	1.4E-04	1.0E-04
Deoxycholic acid	4.1E-04	9.5E-05	1.0E-04	3.9E-04	2.6E-03	5.8E-04	1.3E-04	3.8E-04	2.8E-03	2.5E-03	1.7E-04	2.7E-04	4.0E-04	1.8E-03	1.4E-03	1.6E-03
Dethiobiotin	1.1E-04	1.5E-04	1.6E-04	1.1E-04	2.1E-04	1.6E-04	1.7E-04	1.8E-04	2.1E-04	1.2E-04	1.1E-04	1.6E-04	1.2E-04	1.4E-04	1.4E-04	1.7E-04
Diosgenin	1.7E-04	1.2E-04	5.1E-05	3.7E-05	2.5E-05	4.7E-05	7.3E-05	6.3E-05	5.0E-05	2.7E-04	6.1E-05	N.D.	5.0E-05	3.6E-05	5.6E-05	3.3E-05
Ergocalciferol-1	6.5E-05	N.D.	N.D.	5.1E-05	N.D.	4.1E-05	N.D.	2.7E-05	N.D.	4.4E-05	N.D.	N.D.	3.0E-05	4.9E-05	3.8E-05	4.4E-05
Ergocalciferol-2	5.2E-05	9.2E-05	6.3E-05	4.4E-05	N.D.	3.9E-05	3.3E-05	7.9E-05	4.7E-05	N.D.	5.4E-05	6.7E-05	7.5E-05	7.8E-05	4.3E-05	N.D.
Erucic acid	6.2E-05	9.1E-05	4.9E-05	4.6E-05	6.3E-05	6.2E-05	9.5E-05	5.8E-05	5.5E-05	7.1E-05	6.6E-05	4.8E-05	7.0E-05	6.1E-05	5.2E-05	6.6E-05
Ethyl arachidonate-1	3.3E-05	3.1E-05	2.4E-05	2.9E-05	N.D.	2.8E-05	3.0E-05	2.4E-05	N.D.	1.9E-05	N.D.	N.D.	2.2E-05	2.4E-05	2.1E-05	2.9E-05
Ethyl arachidonate-2	N.D.	3.4E-05	1.5E-05	N.D.	3.2E-05	4.5E-05	2.2E-05	2.0E-05	N.D.	3.9E-05	3.6E-05	N.D.	1.6E-05	2.1E-05	3.4E-05	3.6E-05
Ethynyl estradiol	9.9E-05	5.2E-05	4.3E-05	6.5E-05	8.1E-05	N.D.	N.D.	1.0E-04	3.9E-05	5.9E-05	3.5E-05	4.2E-05	4.6E-05	4.0E-05	6.4E-05	5.8E-05
Etiocholan-3α-ol-17-one glucuronide	N.D.	N.D.	N.D.	N.D.	3.6E-06	N.D.	N.D.	N.D.	4.9E-06	6.9E-06	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
FA(12:0)	1.1E-05	1.4E-05	1.8E-05	8.0E-06	1.6E-05	8.4E-06	1.6E-05	1.1E-05	1.7E-05	1.2E-05	1.2E-05	1.2E-05	1.7E-05	1.6E-05	1.0E-05	1.0E-05
FA(14:1)-1	1.9E-05	9.4E-06	3.0E-05	1.3E-05	1.3E-05	1.2E-05	1.3E-05	1.4E-05	1.2E-05	1.3E-05	7.3E-06	1.8E-05	1.1E-05	2.5E-05	1.6E-05	1.7E-05
FA(14:1)-2	1.3E-05	1.4E-05	2.0E-05	1.3E-05	1.8E-05	1.5E-05	1.3E-05	2.0E-05	2.0E-05	1.0E-05	N.D.	1.6E-05	1.5E-05	2.0E-05	2.0E-05	1.9E-05
FA(14:2)-1	N.D.	N.D.	4.4E-06	N.D.	N.D.	7.3E-06	N.D.	N.D.	N.D.	N.D.	4.2E-06	N.D.	N.D.	N.D.	N.D.	9.0E-06
FA(14:2)-2	1.0E-05	7.3E-06	2.0E-05	9.5E-06	9.8E-06	1.5E-05	8.7E-06	7.7E-06	9.8E-06	8.5E-06	8.5E-06	1.1E-05	7.5E-06	1.6E-05	1.2E-05	2.2E-05
FA(14:3)	4.0E-03	6.1E-03	3.9E-03	3.2E-03	4.2E-03	1.7E-03	2.4E-03	3.9E-03	4.1E-03	2.8E-03	2.4E-03	2.3E-03	1.0E-03	2.6E-03	2.8E-03	3.2E-03
FA(15:0)	N.D.	N.D.	8.3E-06	N.D.	8.9E-06	1.2E-05	8.7E-06	1.2E-05	8.8E-06	1.1E-05	5.6E-06	9.6E-06	2.3E-05	1.1E-05	7.9E-06	1.1E-05
FA(15:1)	N.D.	N.D.	3.6E-06	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	3.1E-06	5.5E-06
FA(16:2)-1	2.8E-05	5.7E-05	8.9E-05	3.6E-05	4.4E-05	6.6E-05	6.1E-05	3.4E-05	2.9E-05	1.9E-05	3.6E-05	3.5E-05	4.8E-05	5.9E-05	4.6E-05	6.3E-05
FA(16:2)-2	7.2E-06	N.D.	1.1E-05	N.D.	N.D.	N.D.	N.D.	8.8E-06	N.D.	2.9E-06	N.D.	7.4E-06	8.3E-06	N.D.	2.9E-06	N.D.
FA(16:3)-1	N.D.	6.2E-05	3.3E-05	4.1E-05	3.6E-05	3.6E-05	3.3E-05	3.9E-05	2.9E-05	N.D.	N.D.	2.2E-05	2.4E-05	3.2E-05	2.7E-05	3.3E-05
FA(16:3)-2	N.D.	N.D.	9.0E-06	N.D.	N.D.	6.9E-06	2.8E-06	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	3.6E-06	N.D.
FA(17:0)-1	7.8E-06	2.5E-05	1.6E-05	1.6E-05	6.2E-05	N.D.	7.1E-06	1.3E-05	2.2E-05	3.6E-05	1.6E-05	1.3E-05	1.0E-05	2.1E-05	1.6E-05	2.5E-05
FA(17:1)	9.4E-05	1.2E-04	1.8E-04	1.1E-04	9.7E-05	1.5E-04	1.4E-04	1.3E-04	8.3E-05	8.1E-05	6.9E-05	1.0E-04	1.5E-04	1.4E-04	1.3E-04	1.4E-04
FA(17:2)	1.3E-05	1.4E-05	3.1E-05	9.5E-06	1.3E-05	2.3E-05	1.6E-05	1.2E-05	8.6E-06	6.9E-06	7.0E-06	1.5E-05	1.5E-05	1.3E-05	1.0E-05	1.9E-05
FA(17:3)	2.7E-05	1.9E-05	2.7E-05	1.5E-05	3.2E-05	2.3E-05	2.4E-05	1.6E-05	2.2E-05	2.1E-05	1.9E-05	2.2E-05	2.4E-05	2.7E-05	2.4E-05	2.9E-05
FA(19:0)-1	9.9E-06	8.6E-06	7.1E-06	9.9E-06	3.7E-06	7.9E-06	6.3E-06	1.1E-05	9.9E-06	5.1E-06	1.0E-05	N.D.	9.2E-06	8.6E-06	7.2E-06	1.1E-05
FA(19:0)-2	2.2E-05	2.8E-05	2.1E-05	2.3E-05	2.1E-05	3.1E-05	3.8E-05	2.0E-05	1.8E-05	3.0E-05	3.2E-05	1.9E-05	6.0E-05	2.4E-05	3.0E-05	3.3E-05
FA(19:1)	4.8E-05	6.0E-05	7.2E-05	5.0E-05	5.1E-05	6.9E-05	5.7E-05	5.8E-05	4.3E-05	4.2E-05	4.1E-05	5.4E-05	5.5E-05	7.1E-05	6.6E-05	8.5E-05
FA(19:2)	1.2E-05	1.7E-05	1.8E-05	1.3E-05	1.2E-05	1.7E-05	1.7E-05	1.8E-05	N.D.	1.2E-05	7.6E-06	1.2E-05	1.7E-05	1.3E-05	1.7E-05	1.8E-05
FA(20:3)	3.4E-04	2.5E-04	3.2E-04	4.5E-04	3.6E-04	2.5E-04	2.5E-04	7.3E-04	3.7E-04	3.1E-04	1.4E-04	4.7E-04	5.7E-04	4.1E-04	3.1E-04	3.2E-04
FA(22:2)	8.7E-06	1.5E-05	1.7E-05	6.0E-06	9.0E-06	1.1E-05	1.6E-05	8.7E-06	6.6E-06	1.1E-05	1.3E-05	6.3E-06	1.4E-05	1.3E-05	8.8E-06	1.5E-05
FA(22:3)-1	7.1E-06	1.6E-05	1.2E-05	1.4E-05	1.3E-05	1.7E-05	1.2E-05	1.2E-05	8.9E-06	1.1E-05	1.0E-05	1.0E-05	1.5E-05	1.1E-05	1.1E-05	1.3E-05
FA(22:3)-2	8.1E-06	8.8E-06	1.3E-05	1.1E-05	9.1E-06	4.7E-06	1.5E-05	1.8E-05	1.1E-05	1.3E-05	5.7E-06	1.3E-05	1.1E-05	1.4E-05	1.4E-05	1.5E-05
FA(22:4)-1	6.0E-06	5.6E-06	4.0E-06	7.2E-06	1.0E-05	8.5E-06	8.4E-06	8.7E-06	1.4E-05	5.6E-06	6.0E-06	8.6E-06	7.0E-06	1.4E-05	1.4E-05	6.7E-06
FA(22:4)-2	3.8E-04	3.9E-04	4.8E-04	4.5E-04	3.5E-04	3.8E-04	3.4E-04	5.5E-04	3.8E-04	2.9E-04	2.3E-04	5.0E-04	3.9E-04	4.7E-04	3.1E-04	3.4E-04
FA(22:5)-1	9.2E-04	1.4E-03	2.0E-03	8.9E-04	7.1E-04	1.1E-03	1.2E-03	9.7E-04	6.9E-04	6.8E-04	7.4E-04	1.0E-03	1.2E-03	1.1E-03	7.7E-04	9.1E-04
FA(22:5)-2	1.9E-04	2.2E-04	2.3E-04	2.2E-04	2.3E-04	2.2E-04	1.8E-04	3.6E-04	2.7E-04	2.3E-04	1.4E-04	2.5E-04	2.0E-04	2.7E-04	2.3E-04	2.6E-04
FA(24:0)	8.3E-06	2.6E-06	4.7E-06	8.3E-06	6.5E-06	8.5E-06	N.D.	3.4E-06	5.2E-06	9.2E-06	9.9E-06	4.2E-06	8.9E-06	N.D.	8.8E-06	7.5E-06
FA(24:4)	1.6E-05	9.1E-06	9.5E-06	1.2E-05	1.1E-05	9.7E-06	9.4E-06	1.2E-05	1.2E-05	1.2E-05	9.5E-06	1.2E-05	1.3E-05	1.2E-05	1.2E-05	1.4E-05
FA(24:5)	6.3E-05	8.4E-05	9.2E-05	6.1E-05	7.0E-05	8.9E-05	9.5E-05	8.1E-05	6.2E-05	6.9E-05	5.3E-05	6.7E-05	8.9E-05	9.4E-05	8.6E-05	8.9E-05
FA(25:3)	7.8E-06	4.4E-06	N.D.	8.3E-06	1.3E-05	7.3E-06	9.1E-06	1.5E-05	7.7E-06	1.4E-05	3.9E-06	N.D.	8.3E-06	N.D.	9.4E-06	1.2E-05
Flavanone	6.3E-05	7.0E-05	5.2E-05	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	1.7E-04	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Genistein	6.0E-05	1.8E-05	1.5E-05	3.7E-05	9.1E-05	4.6E-05	5.6E-05	5.0E-05	3.2E-05	2.9E-05	2.2E-05	1.7E-05	5.5E-05	5.0E-05	6.3E-05	5.9E-05
Glycitein	7.7E-05	3.7E-05	3.1E-05	3.4E-05	1.5E-04	1.2E-04	1.1E-04	1.2E-04	6.2E-05	5.8E-05	6.3E-05	2.5E-05	4.1E-05	6.0E-05	6.6E-05	9.3E-05
Glycochenodeoxycholic acid	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	4.4E-06	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Glycocholic acid	8.7E-06	4.5E-06	N.D.	1.4E-05	9.1E-05	1.9E-05	N.D.	1.2E-05	1.3E-04	7.6E-05	N.D.	7.6E-06	7.7E-06	7.6E-05	8.7E-05	7.4E-05
Glycodeoxycholic acid	N.D.	N.D.	N.D.	N.D.	4.2E-06	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Glycolithocholic acid	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	3.7E-06	N.D.	N.D.	N.D.	5.3E-06	N.D.	N.D.
Glycoursodeoxycholic acid	N.D.	N.D.	N.D.	N.D.	4.5E-06	N.D.	N.D.	N.D.	3.9E-06	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Hecogenin-1	7.4E-05	2.2E-05	3.9E-05	8.7E-05	5.0E-05	3.4E-05	2.6E-05	4.4E-05	5.7E-05	6.4E-05	3.1E-05	9.2E-05	2.9E-05	2.8E-05	4.2E-05	3.4E-05
Hecogenin-2	9.1E-04	6.7E-04	3.9E-04	6.8E-04	1.5E-03	7.0E-04	5.6E-04	1.6E-03	1.1E-03	1.6E-03	4.7E-04	1.2E-03	9.4E-04	9.3E-04	9.1E-04	7.4E-04
"Heneicosanoic acid 19-Methylarachidic acid"	N.D.	4.6E-06	N.D.	N.D.	3.8E-06	N.D.	4.5E-06	N.D.	N.D.	6.2E-06	8.0E-06	N.D.	8.6E-06	3.4E-06	N.D.	N.D.
"Heptadecanoic acid-1 FA(17:0)-2"	3.1E-05	3.1E-05	4.1E-05	3.8E-05	2.3E-05	4.4E-05	4.2E-05	3.3E-05	3.9E-05	4.6E-05	3.4E-05	2.6E-05	1.5E-04	3.3E-05	3.4E-05	4.3E-05
"Heptadecanoic acid-2 FA(17:0)-3"	1.3E-04	1.2E-04	1.4E-04	1.5E-04	1.2E-04	1.3E-04	1.5E-04	1.5E-04	1.1E-04	1.3E-04	1.3E-04	1.3E-04	5.2E-04	1.5E-04	1.2E-04	1.5E-04
Hydroxyprogesterone caproate	N.D.	N.D.	2.5E-05	3.8E-05	3.8E-05	2.2E-05	N.D.	6.1E-05	4.1E-05	5.8E-05	1.8E-05	2.7E-05	2.5E-05	1.9E-05	4.6E-05	N.D.
Hyodeoxycholic acid	1.7E-05	6.4E-06	N.D.	3.1E-05	1.5E-04	3.5E-05	8.1E-06	2.1E-05	1.3E-04	1.5E-04	1.7E-05	2.3E-05	2.4E-05	8.1E-05	9.7E-05	9.9E-05
Indole-3-carboxaldehyde	2.3E-03	5.2E-04	6.9E-04	5.7E-04	7.7E-04	1.0E-03	3.8E-04	2.2E-03	1.7E-03	4.7E-04	N.D.	1.5E-03	4.5E-04	2.4E-03	3.1E-04	N.D.
Isoliquiritigenin	N.D.	N.D.	N.D.	N.D.	2.9E-05	3.5E-05	N.D.	1.9E-05	1.9E-05	N.D.	N.D.	N.D.	N.D.	N.D.	2.7E-05	N.D.
Kynurenic acid	N.D.	5.4E-05	3.9E-05	5.2E-05	7.2E-05	4.2E-05	N.D.	8.7E-05	6.0E-05	2.0E-05	N.D.	2.9E-05	1.3E-04	4.1E-05	7.1E-05	6.3E-05
Leukotriene B4	1.6E-05	1.2E-05	1.7E-05	1.2E-05	2.7E-05	1.4E-05	1.8E-05	2.6E-05	2.3E-05	1.6E-05	1.3E-05	1.4E-05	1.4E-05	2.9E-05	1.8E-05	2.0E-05
Linoleic acid	3.7E-03	4.6E-03	6.9E-03	4.2E-03	4.0E-03	5.8E-03	5.1E-03	4.0E-03	3.1E-03	2.8E-03	3.1E-03	5.1E-03	4.3E-03	5.2E-03	4.4E-03	5.2E-03
Linolenic acid	1.2E-03	1.9E-03	2.6E-03	1.4E-03	1.5E-03	2.1E-03	2.0E-03	1.7E-03	1.2E-03	1.1E-03	1.0E-03	1.5E-03	1.9E-03	1.9E-03	1.7E-03	2.0E-03
Linoleyl ethanolamide	4.5E-04	4.7E-04	4.6E-04	5.7E-04	5.1E-04	4.4E-04	2.9E-04	6.4E-04	5.2E-04	4.5E-04	4.5E-04	5.7E-04	5.0E-04	6.4E-04	4.1E-04	5.0E-04
Liquiritigenin	1.3E-05	N.D.	N.D.	N.D.	3.4E-05	N.D.	N.D.	2.3E-05	1.5E-05	N.D.	N.D.	1.4E-05	N.D.	2.3E-05	N.D.	2.8E-05
Lithocholic acid	N.D.	N.D.	N.D.	N.D.	5.6E-05	1.4E-05	N.D.	1.5E-05	5.3E-05	5.4E-05	6.5E-06	8.5E-06	1.4E-05	2.3E-05	2.1E-05	2.0E-05
LPC(24:0)	2.3E-05	1.7E-05	N.D.	N.D.	1.8E-05	2.3E-05	2.2E-05	1.8E-05	1.7E-05	1.1E-05	2.5E-05	N.D.	2.5E-05	N.D.	1.3E-05	1.4E-05
Lupulone	1.4E-04	1.1E-04	1.3E-04	1.2E-04	1.4E-04	1.1E-04	1.1E-04	1.2E-04	9.4E-05	8.1E-05	8.8E-05	1.6E-04	1.1E-04	1.2E-04	1.1E-04	1.3E-04
Lutein	4.8E-05	3.4E-05	4.5E-05	3.2E-05	3.0E-05	4.0E-05	3.8E-05	6.3E-05	3.4E-05	4.0E-05	2.8E-05	3.1E-05	5.7E-05	3.6E-05	2.8E-05	2.9E-05
Myristic acid	4.9E-04	7.5E-04	5.1E-04	3.6E-04	3.7E-04	3.9E-04	3.1E-04	4.7E-04	4.4E-04	7.1E-04	2.1E-04	3.0E-04	6.4E-04	4.4E-04	3.0E-04	4.3E-04
N-Acetylsphingosine	N.D.	7.3E-05	5.2E-05	N.D.	5.3E-05	N.D.	N.D.	4.9E-05	4.7E-05	6.1E-05	4.5E-05	N.D.	N.D.	N.D.	3.1E-05	4.7E-05
Nervonic acid	3.6E-05	3.1E-05	3.7E-05	5.0E-05	4.6E-05	4.1E-05	5.0E-05	3.4E-05	3.8E-05	5.0E-05	4.1E-05	4.1E-05	3.5E-05	2.8E-05	4.4E-05	5.7E-05
Oleic acid	1.5E-02	1.5E-02	2.3E-02	1.9E-02	1.5E-02	1.8E-02	1.6E-02	1.8E-02	1.4E-02	1.2E-02	9.4E-03	2.2E-02	1.7E-02	2.3E-02	1.7E-02	1.9E-02
"Oleoyl ethanolamide-1 AEA(18:1)-1"	1.1E-03	8.7E-04	8.6E-04	1.3E-03	9.9E-04	7.7E-04	5.9E-04	1.0E-03	1.3E-03	1.2E-03	9.0E-04	1.2E-03	8.9E-04	1.4E-03	8.8E-04	9.8E-04
"Oleoyl ethanolamide-2 AEA(18:1)-2"	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	3.1E-05	N.D.	N.D.	N.D.	N.D.	N.D.	5.3E-05	N.D.	N.D.
Palmitic acid	1.2E-02	1.1E-02	1.5E-02	1.3E-02	1.2E-02	1.1E-02	1.3E-02	1.3E-02	1.1E-02	9.4E-03	8.5E-03	1.4E-02	2.0E-02	1.3E-02	1.1E-02	1.3E-02
Palmitoleic acid	1.6E-03	2.1E-03	3.8E-03	2.1E-03	2.0E-03	2.6E-03	2.1E-03	1.6E-03	2.0E-03	1.6E-03	8.6E-04	2.2E-03	2.2E-03	3.3E-03	3.0E-03	3.0E-03
Palmitoylcarnitine	1.1E-03	2.0E-03	1.6E-03	2.8E-03	2.0E-03	2.0E-03	4.6E-04	2.9E-03	3.5E-03	1.8E-03	1.8E-03	2.2E-03	2.3E-03	3.0E-03	3.3E-03	3.1E-03
Palmitoylethanolamide	1.1E-03	8.2E-04	8.4E-04	1.2E-03	1.0E-03	8.4E-04	5.7E-04	1.2E-03	1.2E-03	1.1E-03	9.0E-04	1.2E-03	1.1E-03	1.3E-03	8.9E-04	9.4E-04
Pentadecanoic acid	5.1E-05	4.6E-05	5.9E-05	4.3E-05	4.1E-05	5.5E-05	5.8E-05	5.5E-05	3.1E-05	3.8E-05	4.4E-05	3.1E-05	9.8E-05	5.6E-05	5.2E-05	5.5E-05
Phytosphingosine	2.2E-05	4.0E-05	3.4E-05	1.9E-05	N.D.	4.7E-05	3.8E-05	4.0E-05	2.9E-05	3.8E-05	2.1E-05	1.9E-05	3.7E-05	2.9E-05	3.5E-05	N.D.
Progesterone	1.9E-04	2.4E-04	7.0E-05	9.9E-05	8.7E-05	8.2E-05	5.3E-05	1.9E-04	2.8E-04	7.9E-05	1.4E-04	4.8E-04	1.7E-04	9.7E-05	N.D.	9.1E-05
Prostaglandin D2	5.3E-05	4.9E-05	3.7E-05	4.1E-05	4.6E-05	4.1E-05	5.7E-05	6.3E-05	N.D.	6.1E-05	N.D.	5.1E-05	6.3E-05	5.8E-05	N.D.	N.D.
Quercetin	4.5E-06	7.0E-06	N.D.	6.6E-06	N.D.	N.D.	7.2E-06	8.6E-06	N.D.	9.8E-06	5.4E-06	6.0E-06	N.D.	8.6E-06	5.2E-06	N.D.
Retinol-1	1.1E-04	6.2E-05	N.D.	1.0E-04	8.5E-05	9.1E-05	8.6E-05	7.6E-05	1.1E-04	9.3E-05	9.4E-05	7.4E-05	8.6E-05	9.7E-05	6.3E-05	1.2E-04
Retinol-2	1.0E-03	1.7E-03	1.8E-03	1.1E-03	1.1E-03	1.3E-03	1.5E-03	1.2E-03	8.5E-04	1.2E-03	9.7E-04	1.1E-03	2.0E-03	1.4E-03	1.6E-03	1.3E-03
Retinol-3	3.6E-05	1.2E-04	1.1E-04	1.0E-04	9.0E-05	1.0E-04	1.4E-04	9.5E-05	4.5E-05	1.3E-04	4.9E-05	1.1E-04	1.1E-04	1.2E-04	1.1E-04	9.3E-05
Riboflavin	1.5E-05	N.D.	N.D.	1.2E-05	N.D.	N.D.	N.D.	2.6E-05	1.9E-05	N.D.	1.8E-05	N.D.	1.5E-05	1.2E-05	1.8E-05	N.D.
Ricinoleic acid-1	4.3E-05	2.3E-05	4.1E-05	5.8E-05	8.1E-05	5.2E-05	3.5E-05	4.2E-05	6.7E-05	3.6E-05	1.7E-05	5.1E-05	2.5E-05	8.8E-05	5.2E-05	7.4E-05
Ricinoleic acid-2	1.7E-05	1.6E-05	9.5E-06	2.0E-05	1.6E-05	1.9E-05	1.4E-05	1.8E-05	1.0E-05	3.4E-05	2.0E-05	1.8E-05	6.3E-05	1.2E-05	2.2E-05	2.2E-05
Ricinoleic acid-3	2.1E-04	2.5E-04	2.0E-04	2.6E-04	3.8E-04	2.8E-04	2.7E-04	4.6E-04	2.6E-04	2.6E-04	1.2E-04	2.4E-04	3.6E-04	3.2E-04	3.1E-04	3.6E-04
Sitosterol-1	N.D.	N.D.	N.D.	4.1E-05	N.D.	N.D.	N.D.	N.D.	N.D.	4.0E-05	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Sitosterol-2	4.7E-04	5.5E-04	7.7E-04	6.4E-04	4.9E-04	3.9E-04	5.7E-04	3.5E-04	4.1E-04	6.3E-04	5.7E-04	5.0E-04	5.5E-04	3.5E-04	3.4E-04	4.9E-04
Sphinganine	1.2E-04	1.2E-04	1.0E-04	1.4E-04	1.3E-04	1.3E-04	8.7E-05	2.8E-04	1.1E-04	8.9E-05	9.0E-05	1.4E-04	1.4E-04	1.3E-04	1.3E-04	1.2E-04
Sphingomyelin(d18:1/16:0)	7.1E-05	6.5E-05	3.6E-05	1.2E-04	7.1E-05	6.7E-05	5.1E-05	8.7E-05	3.4E-05	5.7E-05	9.3E-05	1.1E-04	4.1E-05	4.2E-05	5.8E-05	7.6E-05
Sphingomyelin(d18:1/18:0)	N.D.	N.D.	N.D.	4.3E-05	3.9E-05	2.5E-05	4.4E-05	N.D.	4.3E-05	N.D.	N.D.	N.D.	N.D.	3.3E-05	N.D.	N.D.
Sphingosine	1.6E-04	1.0E-04	1.2E-04	1.3E-04	1.2E-04	1.6E-04	N.D.	2.5E-04	1.4E-04	N.D.	1.3E-04	1.5E-04	1.1E-04	2.1E-04	1.7E-04	1.4E-04
Stearic acid	1.4E-03	9.3E-04	1.2E-03	1.5E-03	1.2E-03	1.1E-03	1.5E-03	1.1E-03	1.2E-03	1.1E-03	1.1E-03	1.7E-03	5.0E-03	1.3E-03	1.1E-03	1.2E-03
Stearidonic acid	3.7E-05	6.2E-05	7.5E-05	3.1E-05	6.0E-05	6.1E-05	6.4E-05	4.4E-05	3.0E-05	3.4E-05	2.6E-05	4.3E-05	7.4E-05	4.9E-05	5.4E-05	5.5E-05
Stearoyl ethanolamide	5.5E-04	4.9E-04	4.2E-04	6.2E-04	4.9E-04	3.6E-04	3.6E-04	6.1E-04	6.1E-04	5.5E-04	6.6E-04	6.1E-04	5.7E-04	6.2E-04	4.1E-04	4.6E-04
Stigmasterol	2.2E-04	2.7E-04	2.8E-04	3.3E-04	2.5E-04	2.3E-04	1.8E-04	2.2E-04	2.4E-04	2.9E-04	2.7E-04	2.4E-04	2.7E-04	2.4E-04	2.3E-04	2.2E-04
Taurochenodeoxycholic acid	1.4E-04	2.9E-05	2.6E-05	7.2E-05	3.5E-03	9.1E-04	5.8E-05	1.1E-04	4.5E-03	3.9E-03	7.5E-05	1.3E-04	8.9E-05	2.5E-03	2.1E-03	1.8E-03
Taurocholic acid	4.4E-04	9.4E-05	5.0E-05	2.9E-04	1.1E-02	3.8E-03	1.2E-04	3.4E-04	1.6E-02	1.0E-02	1.3E-04	4.0E-04	2.8E-04	1.5E-02	1.1E-02	1.0E-02
Taurodeoxycholic acid	3.5E-04	6.7E-05	8.8E-05	2.3E-04	2.8E-03	4.7E-04	7.8E-05	2.1E-04	2.8E-03	2.2E-03	7.2E-05	1.5E-04	1.9E-04	3.4E-03	1.1E-03	1.3E-03
Taurolithocholic acid	N.D.	N.D.	N.D.	N.D.	1.0E-04	8.8E-06	N.D.	N.D.	4.3E-05	1.0E-04	5.1E-06	N.D.	N.D.	2.6E-05	1.9E-05	1.9E-05
Tauroursodeoxycholic acid	2.0E-04	3.7E-05	4.0E-05	1.8E-04	3.1E-03	6.3E-04	4.4E-05	2.0E-04	4.5E-03	2.7E-03	4.3E-05	2.3E-04	1.3E-04	3.6E-03	1.4E-03	1.3E-03
Testosterone	N.D.	5.1E-04	8.3E-05	N.D.	3.9E-05	4.4E-05	4.8E-05	N.D.	N.D.	3.4E-04	3.1E-05	N.D.	3.2E-05	1.5E-05	3.4E-05	3.0E-05
Testosterone acetate	4.2E-05	3.3E-05	2.2E-05	N.D.	N.D.	2.9E-05	N.D.	N.D.	N.D.	N.D.	3.7E-05	3.2E-05	3.2E-05	N.D.	N.D.	N.D.
Thyroxine	N.D.	4.9E-05	2.5E-05	6.3E-05	3.0E-05	2.4E-05	N.D.	5.6E-05	4.6E-05	2.4E-05	N.D.	3.1E-05	4.3E-05	3.8E-05	3.5E-05	5.5E-05
Trilaurin	N.D.	N.D.	8.9E-05	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Ursodeoxycholic acid	2.4E-05	6.6E-06	N.D.	4.5E-05	3.9E-04	1.9E-05	1.3E-05	6.2E-05	7.3E-05	6.4E-04	1.2E-05	5.0E-05	5.5E-05	6.8E-05	2.1E-04	1.5E-04
Zeaxanthin	1.7E-04	2.1E-04	6.7E-05	1.6E-04	8.2E-05	8.1E-05	1.0E-04	1.7E-04	1.3E-04	1.7E-04	1.2E-04	1.3E-04	1.6E-04	1.2E-04	1.0E-04	1.5E-04
α-Tocopherol	8.2E-03	7.3E-03	7.2E-03	1.0E-02	6.9E-03	4.8E-03	8.0E-03	6.9E-03	8.6E-03	1.1E-02	9.4E-03	1.0E-02	6.4E-03	6.6E-03	7.4E-03	9.8E-03
α-Tocopherol acetate	5.2E-05	N.D.	N.D.	4.3E-05	4.8E-05	4.9E-05	3.2E-05	5.9E-05	N.D.	4.6E-05	6.6E-05	4.6E-05	3.0E-05	2.7E-05	3.6E-05	N.D.
β-Cryptoxanthin-1	1.4E-05	1.3E-05	1.3E-05	1.5E-05	N.D.	2.0E-05	3.0E-05	N.D.	N.D.	1.0E-05	1.5E-05	1.1E-05	8.7E-06	N.D.	N.D.	1.5E-05
β-Cryptoxanthin-2	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	2.6E-04	N.D.	N.D.	N.D.	2.5E-04	N.D.	N.D.	N.D.	N.D.
"β-Estradiol 17α-Estradiol"	1.5E-04	2.0E-04	6.6E-05	9.1E-05	5.9E-05	7.8E-05	9.2E-05	8.5E-05	1.1E-04	2.1E-04	8.3E-05	5.6E-05	3.8E-05	5.6E-05	5.2E-05	7.4E-05
γ-Tocopherol	1.0E-04	7.8E-05	6.1E-05	1.1E-04	1.6E-04	1.2E-04	1.4E-04	1.1E-04	8.4E-05	1.3E-04	5.3E-05	9.9E-05	1.6E-04	1.1E-04	1.6E-04	1.5E-04
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	PubChem CID	HMDB ID	m/z	MT/RT
1,2-Dipalmitoyl-glycero-3-phosphoethanolamine-1			692.52	16.83
1,2-Dipalmitoyl-glycero-3-phosphoethanolamine-2			692.53	16.93
1,2-Distearoyl-glycero-3-phosphocholine			790.651	17.27
1-Myristoyl-glycero-3-phosphocholine	460604	HMDB0010379	468.31	12.71
15(S)-HETE	5280724	HMDB0003876	319.226	12.83
"17α-Hydroxyprogesterone-1 Deoxycorticosterone-1"	"6238 6166"	"HMDB0000374 HMDB0000016"	331.226	10.22
"17α-Hydroxyprogesterone-2 Deoxycorticosterone-2 5β-pregnane-3α,21-diol-11,20-dione"	"6238 6166 440698"	"HMDB0000374 HMDB0000016 HMDB0006755"	331.228	10.03
17α-Hydroxyprogesterone-3	6238	HMDB0000374	331.229	10.31
2-Arachidonoylglycerol-1	5282280	HMDB0004666	379.284	13.59
2-Arachidonoylglycerol-2	5282280	HMDB0004666	379.285	13.71
2-Hydroxytetradecanoic acid-1	1563	HMDB0002261	243.197	13.22
"2-Hydroxytetradecanoic acid-2 3-Hydroxytetradecanoic acid-2"	"1563 16064"	"HMDB0002261 HMDB0061656"	243.197	13.07
20α-Hydroxycholesterol	121935	HMDB0006283	367.333	13.98
20α-Hydroxyprogesterone	8956	HMDB0003069	317.249	11
21-Deoxycortisol-2	92827	HMDB0004030	347.222	8.84
22-Hydroxycholesterol	167685	HMDB0004035	385.336	13.69
3-Hydroxytetradecanoic acid-1	16064	HMDB0061656	243.197	12.84
4-Androstene-3,17-dione	6128	HMDB0000053	287.199	10.05
5-Methoxyindoleacetic acid	18986	HMDB0004096	206.081	7.29
5α-Cholestan-3-one-1	92128	HMDB0000871	387.36	16.42
5α-Cholestan-3-one-2	92128	HMDB0000871	387.369	16.26
5α-Pregnan-3α-ol-20-one	92786	HMDB0001449	301.25	12.14
"5α-Pregnane-3,20-dione Pregnenolone"	"92810 8955"	"HMDB0003759 HMDB0000253"	317.254	11.59
"7-Dehydrocholesterol-1 Desmosterol-1"	"439423 439577"	"HMDB0000032 HMDB0002719"	367.334	15.7
"7-Dehydrocholesterol-2 Desmosterol-2"	"439423 439577"	"HMDB0000032 HMDB0002719"	367.335	16.01
"7-Dehydrocholesterol-3 Desmosterol-3"	"439423 439577"	"HMDB0000032 HMDB0002719"	367.336	15.85
Abietic acid-1	10569		303.233	14.02
Abietic acid-2	10569		303.234	13.91
AC(10:0)	10245190	HMDB0000651	316.248	9.12
AC(12:0)-1			344.278	9.88
AC(12:0)-2			344.28	10.12
AC(12:1)			342.262	9.6
AC(13:1)			356.28	10.05
AC(14:0)-1			372.313	10.94
AC(14:0)-2			372.313	10.86
AC(14:1)-1			370.293	10.5
AC(14:1)-2			370.293	10.42
AC(14:1)-3			370.294	10.27
AC(14:2)			368.28	10.02
AC(14:3)			366.258	9.52
AC(15:0)			386.323	11.33
AC(16:1)-1			398.327	11.29
AC(16:1)-2			398.328	11.17
AC(16:2)-1			396.311	10.48
AC(16:2)-2			396.313	10.73
AC(17:0)-1			414.354	12.24
AC(17:0)-2			414.357	12.07
AC(17:0)-3			414.358	11.79
AC(17:1)			412.34	11.52
AC(18:0)			428.375	12.43
AC(18:1)-1			426.354	12.16
AC(18:1)-2			426.36	11.88
AC(18:2)-1			424.342	11.72
AC(18:2)-2			424.344	11.42
AC(20:0)			456.403	13.12
AC(20:1)			454.387	12.53
AC(22:0)			484.434	13.8
AEA(18:3)			322.268	13.09
AEA(20:3)			350.294	14.04
AEA(20:5)			346.263	12.85
AEA(22:4)-1			376.319	14.02
AEA(22:4)-2			376.322	14.09
AEA(22:6)			372.291	13.5
Anandamide	5281969	HMDB0004080	348.288	13.56
Androstanediol	441301	HMDB0000495	310.269	11.03
Androsterone	5879	HMDB0000031	273.226	10.94
Arachidic acid	10467	HMDB0002212	311.295	15.92
Arachidonic acid	444899	HMDB0001043	303.235	14.32
Asiatic acid-1	119034		487.337	11.51
Asiatic acid-2	119034		487.343	11.44
Astaxanthin	5281224	HMDB0002204	597.402	14.25
Baicalein	5281605	HMDB0134890	269.046	9.59
Behenic acid	8215	HMDB0000944	339.329	16.38
Biotin	171548	HMDB0000030	245.094	5.82
Caffeic acid	689043	HMDB0001964	135.045	5.91
Campesterol	173183	HMDB0002869	383.366	16.41
Chenodeoxycholic acid	10133	HMDB0000518	391.284	12.01
Cholesterol	5997	HMDB0000067	369.351	16.26
Cholesterol sulfate	65076	HMDB0000653	465.304	16.97
Cholic acid	221493	HMDB0000619	407.28	11.12
cis-11,14-Eicosadienoic acid-1	6439848	HMDB0005060	307.259	14.76
cis-11,14-Eicosadienoic acid-2	6439848	HMDB0005060	307.266	14.99
cis-11,14-Eicosadienoic acid-3	6439848	HMDB0005060	307.267	15.09
cis-11-Eicosenoic acid	5282768	HMDB0002231	309.283	15.42
cis-4,7,10,13,16,19-Docosahexaenoic acid-1		HMDB0002183	328.236	14.22
cis-4,7,10,13,16,19-Docosahexaenoic acid-2	445580	HMDB0002183	327.232	14.38
cis-5,8,11,14,17-Eicosapentaenoic acid	446284	HMDB0001999	301.219	13.91
cis-8,11,14-Eicosatrienoic acid	5280581	HMDB0002925	305.251	14.6
Corosolic acid	6918774		455.345	13.16
"Cortexolone Corticosterone 21-Deoxycortisol-1"	"440707 5753 92827"	"HMDB0000015 HMDB0001547 HMDB0004030"	347.222	9.25
"Cortisol-1 18-Hydroxycorticosterone Humulone-1"	"5754 11222 442911"	"HMDB0000063 HMDB0000319 HMDB0034090"	363.215	8.32
"Cortisol-2 Humulone-2"	"5754 442911"	"HMDB0000063 HMDB0034090"	363.216	8.7
"Cycloartenol Lanosterol"	"92110 246983"	"HMDB0036591 HMDB0001251"	409.384	16.38
Daidzein	5281708	HMDB0003312	253.051	8.37
Deoxycholic acid	222528	HMDB0000626	391.286	12.17
Dethiobiotin	643	HMDB0003581	215.138	6.63
Diosgenin	99474		415.319	14.19
Ergocalciferol-1	5280793	HMDB0000900	397.349	16.01
Ergocalciferol-2	5280793	HMDB0000900	397.35	15.7
Erucic acid	5281116	HMDB0002068	337.314	15.92
Ethyl arachidonate-1	5367369	HMDB0062725	333.28	15.43
Ethyl arachidonate-2	5367369	HMDB0062725	333.283	15.2
Ethynyl estradiol	5991	HMDB0001926	297.182	10.21
Etiocholan-3α-ol-17-one glucuronide	443078	HMDB0004484	465.24	10.56
FA(12:0)	3893	HMDB0000638	199.171	13.19
FA(14:1)-1			225.186	13.56
FA(14:1)-2			225.186	13.42
FA(14:2)-1			223.168	12.83
FA(14:2)-2			223.171	13.03
FA(14:3)			221.154	12.53
FA(15:0)	13849	HMDB0000826	241.217	14.29
FA(15:1)			239.202	13.81
FA(16:2)-1			251.202	13.73
FA(16:2)-2			251.203	13.97
FA(16:3)-1			249.186	13.45
FA(16:3)-2			249.189	13.25
FA(17:0)-1	10465	HMDB0002259	269.248	14.75
FA(17:1)			267.233	14.53
FA(17:2)			265.216	14.05
FA(17:3)			263.203	13.53
FA(19:0)-1	12591	HMDB0000772	297.276	15.57
FA(19:0)-2	12591	HMDB0000772	297.279	15.66
FA(19:1)			295.265	15.15
FA(19:2)			293.247	14.73
FA(20:3)			305.251	14.76
FA(22:2)			335.298	15.53
FA(22:3)-1			333.282	15.15
FA(22:3)-2			333.283	15.21
FA(22:4)-1			331.256	14.61
FA(22:4)-2			331.266	14.81
FA(22:5)-1			329.249	14.43
FA(22:5)-2			329.249	14.61
FA(24:0)	11197	HMDB0002003	367.358	16.81
FA(24:4)			359.296	15.3
FA(24:5)			357.282	14.96
FA(25:3)			375.327	15.82
Flavanone	10251		225.091	10.82
Genistein	5280961	HMDB0003217	269.046	9.05
Glycitein	5317750	HMDB0005781	285.075	8.33
Glycochenodeoxycholic acid	12544	HMDB0000637	448.311	11.28
Glycocholic acid	10140	HMDB0000138	464.303	10.46
Glycodeoxycholic acid	3035026	HMDB0000631	448.303	11.57
Glycolithocholic acid	115245	HMDB0000698	432.316	12.2
Glycoursodeoxycholic acid	12310288	HMDB0000708	448.308	10.32
Hecogenin-1	91453	HMDB0038824	431.316	12.49
Hecogenin-2	91453	HMDB0038824	431.317	12.32
"Heneicosanoic acid 19-Methylarachidic acid"	"16898 3632876"	"HMDB0002345 "	325.311	16.16
"Heptadecanoic acid-1 FA(17:0)-2"	"10465 10465"	"HMDB0002259 HMDB0002259"	269.248	14.98
"Heptadecanoic acid-2 FA(17:0)-3"	"10465 10465"	"HMDB0002259 HMDB0002259"	269.249	15.08
Hydroxyprogesterone caproate	169870		429.298	12.1
Hyodeoxycholic acid	5283820	HMDB0000733	391.285	11.26
Indole-3-carboxaldehyde	10256	HMDB0029737	146.061	7.02
Isoliquiritigenin	638278	HMDB0037316	257.081	9.35
Kynurenic acid	3845	HMDB0000715	190.051	5.95
Leukotriene B4	5280492	HMDB0001085	335.221	11.41
Linoleic acid	5280450	HMDB0000673	280.237	14.38
Linolenic acid	5280934	HMDB0001388	277.218	13.96
Linoleyl ethanolamide	5283446	HMDB0012252	324.29	13.56
Liquiritigenin	114829	HMDB0029519	257.081	8.09
Lithocholic acid	9903	HMDB0000761	375.291	12.98
LPC(24:0)	24779481	HMDB0010405	608.455	15.99
Lupulone	68051	HMDB0030041	413.264	14.39
Lutein	5281243	HMDB0003233	551.438	14.76
Myristic acid	11005	HMDB0000806	227.202	14.03
N-Acetylsphingosine	5497136		342.294	13.57
Nervonic acid	5281120	HMDB0002368	365.342	16.35
Oleic acid	445639	HMDB0000207	281.248	14.85
"Oleoyl ethanolamide-1 AEA(18:1)-1"	"5283454 0"	"HMDB0002088 "	326.304	14.04
"Oleoyl ethanolamide-2 AEA(18:1)-2"	"5283454 0"	"HMDB0002088 "	326.305	14.33
Palmitic acid	985	HMDB0000220	255.233	14.75
Palmitoleic acid	445638	HMDB0003229	253.218	14.18
Palmitoylcarnitine	11953816	HMDB0000222	400.344	11.71
Palmitoylethanolamide	4671	HMDB0002100	300.288	13.89
Pentadecanoic acid	13849	HMDB0000826	241.218	14.41
Phytosphingosine	122121	HMDB0004610	318.298	11.08
Progesterone	5994	HMDB0001830	315.23	11.15
Prostaglandin D2	448457	HMDB0001403	370.257	10.36
Quercetin	5280343	HMDB0005794	301.037	8.93
Retinol-1	445354	HMDB0000305	269.226	13.76
Retinol-2	445354	HMDB0000305	269.227	14.03
Retinol-3	445354	HMDB0000305	269.227	13.92
Riboflavin	493570	HMDB0000244	377.145	6.08
Ricinoleic acid-1	643684	HMDB0034297	297.242	12.61
Ricinoleic acid-2	643684	HMDB0034297	297.242	12.96
Ricinoleic acid-3	643684	HMDB0034297	297.243	12.7
Sitosterol-1	222284	HMDB0000852	397.383	16.72
Sitosterol-2	222284	HMDB0000852	397.385	16.56
Sphinganine	91486	HMDB0000269	302.309	11.36
Sphingomyelin(d18:1/16:0)	9939941	HMDB0010169	703.58	16.31
Sphingomyelin(d18:1/18:0)	6453725	HMDB0001348	731.598	16.41
Sphingosine	5280335	HMDB0000252	300.288	11.18
Stearic acid	5281	HMDB0000827	284.268	15.38
Stearidonic acid	5312508	HMDB0006547	275.2	13.58
Stearoyl ethanolamide	27902	HMDB0013078	328.321	14.61
Stigmasterol	5280794	HMDB0000937	395.368	16.26
Taurochenodeoxycholic acid	387316	HMDB0000951	498.287	12.68
Taurocholic acid	6675	HMDB0000036	515.29	11.82
Taurodeoxycholic acid	2733768	HMDB0000896	498.288	12.99
Taurolithocholic acid	439763	HMDB0000722	482.295	13.66
Tauroursodeoxycholic acid	9848818	HMDB0000874	498.287	11.63
Testosterone	6013	HMDB0000234	289.213	10.17
Testosterone acetate	92145	HMDB0062780	331.23	11.54
Thyroxine	5819	HMDB0000248	777.681	9.82
Trilaurin	10851	HMDB0011188	656.587	17.81
Ursodeoxycholic acid	31401	HMDB0000946	391.284	11.11
Zeaxanthin	5280899	HMDB0002789	569.425	15.07
α-Tocopherol	14985	HMDB0001893	431.388	16.41
α-Tocopherol acetate	86472	HMDB0034227	490.425	16.68
β-Cryptoxanthin-1	5281235	HMDB0033844	553.433	16.98
β-Cryptoxanthin-2	5281235	HMDB0033844	553.436	16.74
"β-Estradiol 17α-Estradiol"	"5757 68570"	"HMDB0000151 HMDB0000429"	273.189	10.06
γ-Tocopherol	92729	HMDB0001492	417.369	16.22
METABOLITES_END
#END