#METABOLOMICS WORKBENCH Hitomi_20250707_063807 DATATRACK_ID:6140 STUDY_ID:ST004065 ANALYSIS_ID:AN006726 PROJECT_ID:PR002552
VERSION             	1
CREATED_ON             	July 22, 2025, 2:41 pm
#PROJECT
PR:PROJECT_TITLE                 	Identification of lipid metabolites in HFD-fed mouse serum that promote ovarian
PR:PROJECT_TITLE                 	cancer proliferation
PR:PROJECT_SUMMARY               	This project aims to identify lipid metabolites in the serum of mice fed
PR:PROJECT_SUMMARY               	High-fat diet (HFD) that may promote ovarian cancer cell proliferation. By
PR:PROJECT_SUMMARY               	applying metabolomic profiling, we seek to elucidate diet-induced metabolic
PR:PROJECT_SUMMARY               	alterations and discover lipid molecules potentially involved in tumor growth,
PR:PROJECT_SUMMARY               	with a specific focus on pathways relevant to ovarian cancer progression.
PR:INSTITUTE                     	Osaka University
PR:LAST_NAME                     	Kosuke
PR:FIRST_NAME                    	Hiramatsu
PR:ADDRESS                       	2-2, Yamadaoka, Suita, Osaka, Japan 565-0871
PR:EMAIL                         	hiramatsu@gyne.med.osaka-u.ac.jp
PR:PHONE                         	+81-6-6879-3355
#STUDY
ST:STUDY_TITLE                   	LC-TOFMS-based metabolomic analysis of serum from Normal and High-fat diet-fed
ST:STUDY_TITLE                   	mice
ST:STUDY_SUMMARY                 	To investigate diet-induced changes in serum metabolites, especially lipids
ST:STUDY_SUMMARY                 	related to ovarian cancer proliferation, we analyzed blood serum samples from
ST:STUDY_SUMMARY                 	ten mice—five fed a Normal diet and five fed a High-fat diet. Samples were
ST:STUDY_SUMMARY                 	subjected to LC-TOFMS in both positive and negative ion modes. A total of 210
ST:STUDY_SUMMARY                 	metabolite peaks were detected (115 in positive mode, 95 in negative mode), and
ST:STUDY_SUMMARY                 	putative compound identities were assigned using the Human Metabolome
ST:STUDY_SUMMARY                 	Technologies (HMT) library. Metabolome analysis revealed that serum cholesterol
ST:STUDY_SUMMARY                 	(C₂₇H₄₆O) levels were significantly elevated in the High-fat diet group.
ST:STUDY_SUMMARY                 	Cholesterol exhibited the highest Variable Importance in Projection (VIP) score
ST:STUDY_SUMMARY                 	in partial least squares discriminant analysis, indicating its strong
ST:STUDY_SUMMARY                 	contribution to the metabolic differences between diet groups. Principal
ST:STUDY_SUMMARY                 	Component Analysis (PCA) and hierarchical clustering further demonstrated clear
ST:STUDY_SUMMARY                 	separation between Normal and High-fat diet samples, confirming distinct
ST:STUDY_SUMMARY                 	metabolic profiles induced by diet. The data will be used to identify
ST:STUDY_SUMMARY                 	metabolites differentially expressed in the HFD group that may influence ovarian
ST:STUDY_SUMMARY                 	cancer cell behavior.
ST:INSTITUTE                     	Osaka University
ST:LAST_NAME                     	Kosuke
ST:FIRST_NAME                    	Hiramatsu
ST:ADDRESS                       	2-2, Yamadaoka, Suita, Osaka, Japan 565-0871
ST:EMAIL                         	hiramatsu@gyne.med.osaka-u.ac.jp
ST:PHONE                         	+81-6-6879-3355
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
SU:GENDER                        	Female
#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           	-	N1	Treatment:Normal Diet | Sample source:Serum	RAW_FILE_NAME(RAW_FILE_POS)=KCHUM011-1_P_20210209_001_d1.mzML; RAW_FILE_NAME(RAW_FILE_NEG)=KCHUM011-1_N_20210209_001_d1.mzML
SUBJECT_SAMPLE_FACTORS           	-	N2	Treatment:Normal Diet | Sample source:Serum	RAW_FILE_NAME(RAW_FILE_POS)=KCHUM011-1_P_20210209_002_d1.mzML; RAW_FILE_NAME(RAW_FILE_NEG)=KCHUM011-1_N_20210209_002_d1.mzML
SUBJECT_SAMPLE_FACTORS           	-	N3	Treatment:Normal Diet | Sample source:Serum	RAW_FILE_NAME(RAW_FILE_POS)=KCHUM011-1_P_20210209_003_d1.mzML; RAW_FILE_NAME(RAW_FILE_NEG)=KCHUM011-1_N_20210209_003_d1.mzML
SUBJECT_SAMPLE_FACTORS           	-	N4	Treatment:Normal Diet | Sample source:Serum	RAW_FILE_NAME(RAW_FILE_POS)=KCHUM011-1_P_20210209_004_d1.mzML; RAW_FILE_NAME(RAW_FILE_NEG)=KCHUM011-1_N_20210209_004_d1.mzML
SUBJECT_SAMPLE_FACTORS           	-	N5	Treatment:Normal Diet | Sample source:Serum	RAW_FILE_NAME(RAW_FILE_POS)=KCHUM011-1_P_20210209_005_d1.mzML; RAW_FILE_NAME(RAW_FILE_NEG)=KCHUM011-1_N_20210209_005_d1.mzML
SUBJECT_SAMPLE_FACTORS           	-	F1	Treatment:HFD Diet | Sample source:Serum	RAW_FILE_NAME(RAW_FILE_POS)=KCHUM011-1_P_20210209_006_d1.mzML; RAW_FILE_NAME(RAW_FILE_NEG)=KCHUM011-1_N_20210209_006_d1.mzML
SUBJECT_SAMPLE_FACTORS           	-	F2	Treatment:HFD Diet | Sample source:Serum	RAW_FILE_NAME(RAW_FILE_POS)=KCHUM011-1_P_20210209_007_d1.mzML; RAW_FILE_NAME(RAW_FILE_NEG)=KCHUM011-1_N_20210209_007_d1.mzML
SUBJECT_SAMPLE_FACTORS           	-	F3	Treatment:HFD Diet | Sample source:Serum	RAW_FILE_NAME(RAW_FILE_POS)=KCHUM011-1_P_20210209_008_d1.mzML; RAW_FILE_NAME(RAW_FILE_NEG)=KCHUM011-1_N_20210209_008_d1.mzML
SUBJECT_SAMPLE_FACTORS           	-	F4	Treatment:HFD Diet | Sample source:Serum	RAW_FILE_NAME(RAW_FILE_POS)=KCHUM011-1_P_20210209_009_d1.mzML; RAW_FILE_NAME(RAW_FILE_NEG)=KCHUM011-1_N_20210209_009_d1.mzML
SUBJECT_SAMPLE_FACTORS           	-	F5	Treatment:HFD Diet | Sample source:Serum	RAW_FILE_NAME(RAW_FILE_POS)=KCHUM011-1_P_20210209_010_d1.mzML; RAW_FILE_NAME(RAW_FILE_NEG)=KCHUM011-1_N_20210209_010_d1.mzML
#COLLECTION
CO:COLLECTION_SUMMARY            	Serum samples were collected from 6-week-old female CB-17/Icr-scid/scid Jcl mice
CO:COLLECTION_SUMMARY            	(SCID mice) after 2 weeks of dietary intervention. The mice were fed either
CO:COLLECTION_SUMMARY            	Normal diet (PicoLab® 5053) or High-fat diet (HFD; D12492, Research Diets,
CO:COLLECTION_SUMMARY            	USA). Blood was obtained from non–tumor bearing mice under anesthesia via
CO:COLLECTION_SUMMARY            	cardiac puncture, and serum was isolated by centrifugation for subsequent
CO:COLLECTION_SUMMARY            	metabolomic analysis.
CO:SAMPLE_TYPE                   	Blood (serum)
#TREATMENT
TR:TREATMENT_SUMMARY             	Mice were assigned to either Normal diet (ND; PicoLab® 5053, LabDiet, USA) or
TR:TREATMENT_SUMMARY             	High-fat diet (HFD; D12492, Research Diets, USA) for 2 weeks. No other
TR:TREATMENT_SUMMARY             	treatments or drug administrations were performed.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	100 μL of serum was mixed with 300 μL of 1% formic acid in acetonitrile
SP:SAMPLEPREP_SUMMARY            	containing internal standards (HMT H3304-1002) at 0°C to inhibit enzymatic
SP:SAMPLEPREP_SUMMARY            	activity. After centrifugation at 2,300 × g for 5 minutes at 4°C, the
SP:SAMPLEPREP_SUMMARY            	supernatant was filtered through a hybrid SPE phospholipid cartridge to remove
SP:SAMPLEPREP_SUMMARY            	phospholipids. The filtrate was evaporated to dryness under nitrogen and
SP:SAMPLEPREP_SUMMARY            	reconstituted in 100 μL of 50% isopropanol for LC-TOFMS analysis.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Agilent 1200
CH:COLUMN_NAME                   	Osaka-Soda CAPCELL PAK C18 IF (50 x 2 mm,2um)
CH:SOLVENT_A                     	100% water; 0.1% formic acid
CH:SOLVENT_B                     	65% isopropanol/30% acetonitrile/5% water; 0.1% formic acid; 2 mM ammonium
CH:SOLVENT_B                     	formate
CH:FLOW_GRADIENT                 	0-0.5 min: B 1%, 0.5-13.5 min: B 1-100%, 13.5-20 min: B 100%
CH:FLOW_RATE                     	0.3 mL / min
CH:COLUMN_TEMPERATURE            	40℃
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Agilent 6230 TOF
MS:INSTRUMENT_TYPE               	TOF
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	LC-TOFMS(Basic) positive mode
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	arbitrary unit
MS_METABOLITE_DATA_START
Samples	N1	N2	N3	N4	N5	F1	F2	F3	F4	F5											
Factors	Treatment:Normal Diet | Sample source:Serum	Treatment:Normal Diet | Sample source:Serum	Treatment:Normal Diet | Sample source:Serum	Treatment:Normal Diet | Sample source:Serum	Treatment:Normal Diet | Sample source:Serum	Treatment:HFD Diet | Sample source:Serum	Treatment:HFD Diet | Sample source:Serum	Treatment:HFD Diet | Sample source:Serum	Treatment:HFD Diet | Sample source:Serum	Treatment:HFD Diet | Sample source:Serum
Indole-3-carboxaldehyde	1.7E-03	1.6E-03	1.4E-03	1.6E-03	1.1E-03	2.5E-03	2.8E-03	2.5E-03	2.6E-03	2.8E-03											
Kynurenic acid	N.D.	2.1E-05	2.3E-05	N.D.	3.8E-05	4.2E-05	2.6E-05	3.9E-05	1.9E-05	4.9E-05											
5-Methoxyindoleacetic acid	2.0E-04	1.4E-04	8.4E-05	5.6E-05	2.7E-04	N.D.	N.D.	N.D.	N.D.	N.D.											
Dethiobiotin	7.6E-05	5.2E-05	8.0E-05	8.9E-05	N.D.	6.2E-05	5.8E-05	N.D.	7.1E-05	5.9E-05											
N-Acetylserotonin	5.7E-05	4.7E-05	2.5E-05	N.D.	3.6E-05	3.5E-05	3.6E-05	3.7E-05	2.9E-05	3.9E-05											
Flavanone	6.4E-05	N.D.	1.4E-04	1.4E-04	7.8E-05	N.D.	1.8E-04	1.1E-04	1.2E-04	4.6E-05											
Biotin	6.2E-05	1.3E-04	4.1E-05	4.1E-05	6.2E-05	5.5E-05	5.7E-05	3.5E-05	6.3E-05	4.2E-05											
Liquiritigenin	1.2E-04	5.8E-05	3.7E-05	9.2E-05	1.0E-04	N.D.	N.D.	N.D.	N.D.	N.D.											
Formononetin	8.2E-05	1.2E-04	4.5E-05	1.0E-04	1.6E-04	N.D.	N.D.	N.D.	N.D.	N.D.											
Retinol-1	1.0E-04	7.1E-05	9.4E-05	8.3E-05	7.2E-05	8.9E-05	1.0E-04	N.D.	1.3E-04	9.4E-05											
Retinol-3	1.1E-03	1.1E-03	9.8E-04	1.3E-03	1.3E-03	1.9E-03	1.8E-03	1.6E-03	1.8E-03	1.5E-03											
Retinol-2	1.4E-04	1.1E-04	1.1E-04	1.2E-04	1.2E-04	2.3E-04	2.0E-04	1.3E-04	1.8E-04	2.0E-04											
17α-Estradiol	6.5E-05	5.9E-05	1.6E-04	9.7E-05	9.2E-05	5.5E-05	1.2E-04	8.0E-05	1.2E-04	6.0E-05											
Glycitein	1.2E-04	2.4E-05	N.D.	2.7E-05	3.3E-05	N.D.	N.D.	N.D.	N.D.	N.D.											
4-Androstene-3,17-dione	3.7E-05	2.9E-05	5.9E-05	5.9E-05	3.5E-05	2.3E-05	6.1E-05	4.5E-05	5.0E-05	N.D.											
Testosterone	N.D.	3.9E-05	N.D.	N.D.	3.3E-05	6.4E-05	4.3E-05	7.8E-05	5.6E-05	4.2E-05											
Ethynyl estradiol-2	N.D.	5.1E-05	N.D.	2.8E-05	4.5E-05	1.1E-04	2.9E-04	1.0E-04	6.8E-05	8.0E-05											
Ethynyl estradiol-1	1.8E-04	5.4E-05	6.6E-05	5.9E-05	2.0E-04	5.7E-04	9.9E-04	2.8E-04	2.5E-04	2.7E-04											
Sphingosine	7.5E-04	7.3E-04	5.0E-04	9.1E-04	1.2E-03	1.2E-03	8.7E-04	6.3E-04	7.9E-04	1.1E-03											
Palmitoylethanolamide	1.6E-03	1.5E-03	1.5E-03	1.5E-03	1.6E-03	2.0E-03	2.2E-03	1.7E-03	2.2E-03	1.9E-03											
Sphinganine	4.0E-04	3.8E-04	3.8E-04	6.5E-04	6.2E-04	5.5E-04	4.0E-04	3.9E-04	3.8E-04	5.1E-04											
19-Hydroxytestosterone	N.D.	N.D.	3.3E-05	N.D.	1.0E-05	N.D.	1.8E-05	4.6E-05	1.0E-04	2.3E-05											
17α-Hydroxypregnenolone-2	2.0E-05	1.6E-05	2.8E-05	N.D.	4.5E-05	N.D.	7.3E-05	6.0E-05	4.2E-05	N.D.											
17α-Hydroxypregnenolone-1	6.8E-05	4.8E-05	3.5E-05	4.7E-05	6.5E-05	9.1E-05	1.4E-04	1.2E-04	3.7E-05	6.8E-05											
Progesterone	5.2E-05	2.8E-05	9.1E-05	3.8E-05	7.3E-05	3.9E-04	6.5E-05	1.8E-03	6.1E-05	5.3E-05											
AC(10:0)	1.1E-04	1.0E-04	9.0E-05	1.9E-04	7.7E-05	1.0E-04	3.4E-05	1.0E-04	8.8E-05	1.1E-04											
Capillarisin	7.0E-06	1.4E-05	N.D.	2.9E-05	N.D.	1.8E-05	1.3E-05	8.8E-06	N.D.	N.D.											
20α-Hydroxyprogesterone	8.5E-04	1.7E-03	1.8E-03	9.0E-04	2.5E-03	4.1E-03	4.0E-03	3.9E-03	9.3E-03	3.8E-03											
5α-Pregnan-20α-ol-3-one	N.D.	3.0E-05	4.8E-05	4.7E-05	2.1E-05	4.3E-05	4.8E-05	4.4E-05	5.6E-05	3.5E-05											
AEA(18:3)	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	9.9E-05	N.D.	8.6E-05	N.D.											
Linoleyl ethanolamide	6.9E-04	6.9E-04	7.3E-04	7.0E-04	7.6E-04	8.8E-04	9.4E-04	9.4E-04	9.9E-04	8.1E-04											
AEA(18:1)"	1.5E-03	1.6E-03	1.3E-03	1.7E-03	1.4E-03	2.5E-03	2.7E-03	2.7E-03	3.0E-03	2.5E-03											
Stearoyl ethanolamide	1.2E-03	1.1E-03	1.2E-03	1.2E-03	1.3E-03	1.9E-03	2.3E-03	2.0E-03	2.4E-03	2.3E-03											
17α-Hydroxyprogesterone-3	2.6E-05	8.4E-05	9.6E-05	2.0E-05	6.7E-05	1.0E-04	3.9E-05	5.3E-05	8.0E-05	7.3E-05											
Deoxycorticosterone-3"	6.1E-05	1.0E-04	1.1E-04	2.6E-05	1.8E-04	1.0E-04	9.2E-05	5.8E-05	1.2E-04	7.8E-05											
5β-pregnane-3α,21-diol-11,20-dione-2"	1.2E-04	4.1E-05	1.7E-04	3.3E-05	1.6E-04	7.5E-05	2.1E-04	6.2E-05	7.6E-05	7.8E-05											
5β-pregnane-3α,21-diol-11,20-dione-1"	8.3E-05	7.0E-05	8.2E-05	4.4E-05	6.6E-05	7.7E-05	7.7E-05	6.6E-05	5.6E-05	1.1E-04											
Ethyl arachidonate-2	8.8E-05	6.0E-05	4.0E-05	4.3E-05	4.2E-05	5.9E-05	9.3E-05	1.0E-04	7.1E-05	8.2E-05											
Ethyl arachidonate-1	2.2E-05	7.3E-05	4.6E-05	8.0E-05	6.3E-05	N.D.	N.D.	N.D.	N.D.	5.7E-05											
Prostaglandin B2	6.6E-05	5.0E-05	5.8E-05	5.4E-05	7.0E-05	7.2E-05	5.8E-05	5.3E-05	9.0E-05	8.0E-05											
AC(12:1)	2.0E-04	2.2E-04	1.5E-04	2.6E-04	1.4E-04	2.6E-04	2.4E-04	5.1E-04	2.4E-04	3.4E-04											
AC(12:0)-1	1.6E-04	6.8E-05	8.7E-05	9.6E-05	7.7E-05	2.6E-05	N.D.	N.D.	N.D.	N.D.											
AC(12:0)-2	4.1E-04	3.8E-04	2.7E-04	5.4E-04	2.4E-04	2.6E-04	2.6E-04	3.0E-04	2.9E-04	3.6E-04											
AEA(20:5)-1	N.D.	1.1E-04	1.4E-04	8.4E-05	N.D.	1.2E-04	1.7E-04	1.2E-04	1.8E-04	2.2E-04											
AEA(20:5)-2	1.5E-04	5.6E-05	1.2E-04	8.5E-05	1.1E-04	7.2E-05	6.2E-05	8.0E-05	1.0E-04	1.1E-04											
21-Deoxycortisol-2"	9.7E-03	8.0E-03	1.2E-02	1.6E-03	1.7E-02	8.4E-03	1.2E-02	2.0E-03	1.0E-02	1.3E-02											
21-Deoxycortisol-1	3.6E-05	3.3E-05	2.3E-05	3.3E-05	N.D.	4.5E-05	3.9E-05	3.1E-05	4.6E-05	6.9E-05											
Anandamide-1	2.5E-05	4.6E-05	5.5E-05	4.3E-05	3.9E-05	5.0E-05	7.0E-05	N.D.	6.6E-05	8.9E-05											
Anandamide-2	2.2E-04	2.1E-04	1.6E-04	2.1E-04	2.2E-04	3.8E-04	3.8E-04	3.4E-04	3.5E-04	3.1E-04											
AC(13:1)-2	2.3E-05	2.5E-05	N.D.	2.0E-05	1.5E-05	N.D.	N.D.	N.D.	1.3E-05	N.D.											
AC(13:1)-1	7.7E-05	7.6E-05	7.8E-05	8.0E-05	3.3E-05	3.6E-05	3.4E-05	3.6E-05	2.7E-05	4.8E-05											
Humulone"	7.0E-05	4.4E-05	7.8E-05	3.7E-05	1.5E-04	5.6E-05	9.9E-05	4.8E-05	1.6E-04	1.5E-04											
AC(14:3)-1	4.1E-05	2.0E-05	1.8E-05	2.2E-05	4.0E-05	2.4E-05	3.0E-05	3.0E-05	3.5E-05	2.0E-05											
AC(14:3)-2	4.9E-05	6.0E-05	2.7E-05	2.9E-05	3.3E-05	5.9E-05	4.5E-05	3.3E-05	5.1E-05	4.1E-05											
Desmosterol-1"	4.5E-05	5.0E-05	4.1E-05	5.4E-05	4.5E-05	3.0E-05	8.0E-05	6.4E-05	6.1E-05	4.8E-05											
Desmosterol-2"	6.7E-05	5.8E-05	N.D.	8.9E-05	6.8E-05	N.D.	8.7E-05	6.9E-05	N.D.	7.8E-05											
Desmosterol-3"	7.0E-05	8.2E-05	1.0E-04	1.0E-04	8.2E-05	9.1E-05	1.1E-04	8.5E-05	1.0E-04	9.3E-05											
7-Dehydrocholesterol-4	2.6E-04	3.5E-04	3.0E-04	3.1E-04	3.3E-04	4.1E-04	4.1E-04	3.4E-04	4.5E-04	4.4E-04											
AC(14:2)	4.1E-04	3.8E-04	2.7E-04	4.7E-04	3.2E-04	2.6E-04	2.2E-04	3.1E-04	2.8E-04	3.0E-04											
AC(14:1)-4	6.8E-05	6.2E-05	5.6E-05	8.2E-05	4.7E-05	5.2E-05	6.9E-05	7.6E-05	5.6E-05	N.D.											
AC(14:1)-1	5.9E-05	4.9E-05	5.6E-05	6.5E-05	7.1E-05	N.D.	N.D.	N.D.	N.D.	N.D.											
AC(14:1)-2	3.4E-04	2.5E-04	1.9E-04	4.1E-04	1.3E-04	1.7E-04	1.6E-04	1.5E-04	1.6E-04	1.8E-04											
AC(14:1)-3	1.3E-03	1.2E-03	8.2E-04	1.4E-03	8.2E-04	1.1E-03	8.7E-04	1.2E-03	1.3E-03	1.2E-03											
Cholesterol	1.5E-02	1.6E-02	1.7E-02	1.8E-02	1.7E-02	2.2E-02	2.4E-02	2.1E-02	2.4E-02	2.4E-02											
AEA(22:6)	3.0E-04	2.5E-04	2.5E-04	2.6E-04	2.7E-04	3.3E-04	2.8E-04	3.2E-04	3.0E-04	3.0E-04											
AC(14:0)	1.9E-03	1.7E-03	1.5E-03	2.4E-03	1.7E-03	1.1E-03	1.2E-03	1.3E-03	1.3E-03	1.7E-03											
AEA(22:4)	1.5E-04	2.8E-04	1.7E-04	2.2E-04	2.3E-04	1.8E-04	2.8E-04	1.9E-04	2.8E-04	2.6E-04											
Riboflavin	9.2E-06	1.3E-05	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.											
2-Arachidonoylglycerol	2.2E-03	3.3E-03	1.5E-03	2.0E-03	1.7E-03	1.5E-03	2.2E-03	2.5E-03	2.4E-03	1.6E-03											
Campesterol	9.1E-04	9.3E-04	1.0E-03	1.2E-03	1.0E-03	6.1E-04	8.1E-04	5.3E-04	6.6E-04	7.9E-04											
AC(15:0)-2	1.6E-05	6.9E-05	4.4E-05	4.4E-05	2.9E-05	1.9E-05	1.9E-05	4.4E-05	3.3E-05	N.D.											
AC(15:0)-1	5.8E-05	1.0E-04	7.1E-05	9.3E-05	7.9E-05	2.3E-05	3.4E-05	5.9E-05	6.3E-05	5.1E-05											
5α-Cholestan-3-one-1	2.8E-05	3.2E-05	6.6E-05	3.5E-05	4.1E-05	7.7E-05	9.5E-05	6.7E-05	8.8E-05	9.0E-05											
5α-Cholestan-3-one-2	2.6E-04	3.6E-04	3.3E-04	3.9E-04	3.7E-04	4.3E-04	4.5E-04	4.3E-04	5.0E-04	5.3E-04											
Eleutheroside B	2.1E-05	5.3E-05	4.2E-05	2.6E-05	2.3E-05	1.9E-05	2.0E-05	3.6E-05	N.D.	2.4E-05											
Stigmasterol	2.4E-04	2.2E-04	2.8E-04	2.6E-04	2.6E-04	1.9E-04	1.5E-04	1.2E-04	1.6E-04	1.6E-04											
AC(16:2)-1	N.D.	2.6E-05	3.2E-05	5.7E-05	4.0E-05	N.D.	2.9E-05	2.5E-05	2.4E-05	N.D.											
AC(16:2)-2	5.2E-04	5.6E-04	4.4E-04	6.1E-04	4.5E-04	2.6E-04	2.4E-04	3.0E-04	3.3E-04	3.2E-04											
Ergocalciferol	3.5E-05	8.9E-06	N.D.	N.D.	3.6E-05	3.8E-05	4.4E-05	N.D.	3.2E-05	N.D.											
Sitosterol	2.6E-04	2.5E-04	2.6E-04	3.7E-04	2.4E-04	2.0E-04	2.1E-04	1.4E-04	1.7E-04	2.1E-04											
AC(16:1)	1.7E-03	1.7E-03	1.3E-03	2.3E-03	1.3E-03	1.4E-03	1.5E-03	1.5E-03	1.5E-03	1.6E-03											
Solanidine	N.D.	9.9E-05	7.3E-05	N.D.	N.D.	5.8E-05	9.1E-05	N.D.	N.D.	N.D.											
Palmitoylcarnitine	6.9E-03	7.4E-03	6.8E-03	9.2E-03	7.1E-03	5.7E-03	6.9E-03	5.6E-03	6.9E-03	8.2E-03											
Lanosterol"	2.2E-04	1.4E-04	1.7E-04	2.3E-04	1.8E-04	1.3E-04	1.8E-04	1.3E-04	1.2E-04	1.4E-04											
AC(17:1)	7.6E-05	7.4E-05	6.6E-05	8.3E-05	8.6E-05	6.0E-05	9.3E-05	6.4E-05	8.3E-05	6.6E-05											
AC(17:0)-1	5.1E-05	5.1E-05	4.9E-05	5.6E-05	6.7E-05	3.5E-05	6.4E-05	4.3E-05	4.5E-05	4.5E-05											
AC(17:0)-2	9.8E-05	1.4E-04	1.3E-04	1.4E-04	9.8E-05	1.1E-04	1.4E-04	8.2E-05	1.4E-04	8.8E-05											
Diosgenin	1.1E-04	1.2E-04	9.5E-05	6.2E-05	5.6E-05	7.1E-05	6.7E-05	1.1E-04	N.D.	N.D.											
γ-Tocopherol	2.6E-04	1.7E-04	1.6E-04	1.6E-04	1.8E-04	4.9E-04	4.1E-04	4.3E-04	4.1E-04	5.5E-04											
AC(18:2)	3.6E-03	3.7E-03	3.6E-03	4.2E-03	3.9E-03	2.2E-03	2.3E-03	2.1E-03	2.8E-03	2.8E-03											
1-Myristoyl-glycero-3-phosphoethanolamine	2.6E-05	3.0E-05	4.4E-05	3.5E-05	3.7E-05	2.6E-05	4.7E-05	4.0E-05	1.1E-05	2.4E-05											
AC(18:1)	7.6E-03	7.9E-03	7.0E-03	9.7E-03	7.5E-03	9.0E-03	1.1E-02	9.0E-03	1.2E-02	1.1E-02											
AC(18:0)	2.1E-03	2.6E-03	2.7E-03	2.7E-03	2.7E-03	4.3E-03	5.1E-03	4.4E-03	5.6E-03	5.9E-03											
Hecogenin-2	1.4E-04	9.9E-05	7.1E-05	1.3E-04	1.3E-04	1.0E-04	1.1E-04	1.5E-04	9.3E-05	1.0E-04											
Hecogenin-1	4.8E-04	2.6E-04	2.6E-04	5.7E-04	4.4E-04	6.9E-04	3.1E-04	5.6E-04	5.9E-04	5.4E-04											
α-Tocopherol	4.8E-03	6.4E-03	7.8E-03	7.2E-03	7.2E-03	1.7E-02	1.2E-02	1.3E-02	1.8E-02	1.6E-02											
Corosolic acid-1	2.1E-05	8.8E-06	4.0E-05	4.6E-05	N.D.	2.1E-05	3.3E-05	5.1E-05	3.0E-05	7.7E-05											
Corosolic acid-2	1.3E-04	1.2E-04	9.1E-05	9.6E-05	7.0E-05	6.1E-05	1.2E-04	5.3E-05	5.9E-05	1.0E-04											
AC(20:0)	8.2E-05	1.0E-04	8.9E-05	1.1E-04	1.1E-04	1.7E-04	2.1E-04	1.6E-04	2.5E-04	2.1E-04											
AC(21:0)	N.D.	N.D.	2.4E-05	9.4E-06	7.6E-06	7.9E-06	1.7E-05	9.3E-06	1.8E-05	2.0E-05											
AC(22:0)	4.6E-05	5.5E-05	4.9E-05	4.8E-05	4.1E-05	9.7E-05	8.5E-05	6.2E-05	1.1E-04	1.1E-04											
α-Tocopherol acetate	9.6E-05	1.4E-04	1.6E-04	5.1E-05	4.9E-04	1.0E-04	1.0E-04	1.9E-04	8.9E-05	1.9E-04											
1-Palmitoyl-glycero-3-phosphocholine	2.3E-05	N.D.	4.1E-05	2.5E-05	2.7E-05	2.2E-05	2.2E-05	3.9E-05	4.4E-05	1.5E-05											
AC(23:0)	1.6E-05	2.2E-05	N.D.	1.5E-05	3.2E-05	1.5E-05	1.1E-05	2.9E-05	1.8E-05	2.1E-05											
PAF(17:0)	6.9E-05	4.5E-05	5.1E-05	5.6E-05	7.7E-05	1.8E-05	3.5E-05	1.9E-05	N.D.	3.9E-05											
Zeaxanthin	1.8E-04	1.5E-04	1.7E-04	1.5E-04	1.6E-04	3.5E-05	2.6E-05	1.7E-05	1.6E-05	2.1E-05											
Trilaurin	2.9E-05	1.2E-04	6.5E-05	3.9E-05	5.0E-05	2.4E-05	3.0E-05	2.0E-05	2.2E-05	2.0E-05											
"1,2-Dipalmitoyl-glycero-3-phosphoethanolamine-1"	3.0E-05	2.9E-05	3.3E-05	3.7E-05	2.7E-05	1.5E-05	2.7E-05	N.D.	3.1E-05	1.8E-05											
"1,2-Dipalmitoyl-glycero-3-phosphoethanolamine-2"	3.8E-05	3.8E-05	2.9E-05	3.9E-05	2.8E-05	2.0E-05	1.7E-05	1.7E-05	4.4E-05	9.4E-06											
Sphingomyelin(d18:1/16:0)-1	N.D.	1.5E-05	N.D.	N.D.	3.2E-05	3.3E-05	3.6E-05	N.D.	N.D.	N.D.											
Sphingomyelin(d18:1/16:0)-2	5.8E-05	1.0E-04	1.1E-04	6.4E-05	1.0E-04	8.9E-05	1.7E-04	1.3E-04	1.6E-04	1.3E-04											
Sphingomyelin(d18:1/18:0)-2	N.D.	N.D.	1.6E-05	N.D.	1.7E-05	1.7E-05	2.9E-05	2.0E-05	N.D.	3.8E-05											
Sphingomyelin(d18:1/18:0)-1	9.0E-05	N.D.	N.D.	N.D.	N.D.	5.5E-05	5.5E-05	4.0E-05	N.D.	3.4E-05											
Thyroxine	5.5E-05	7.5E-05	5.6E-05	7.2E-05	6.1E-05	3.9E-05	6.9E-05	6.1E-05	7.3E-05	4.7E-05											
Coenzyme Q10	2.4E-05	4.6E-05	4.4E-05	3.8E-05	3.9E-05	7.1E-05	8.9E-05	6.6E-05	9.1E-05	8.4E-05											
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name
Indole-3-carboxaldehyde
Kynurenic acid
5-Methoxyindoleacetic acid
Dethiobiotin
N-Acetylserotonin
Flavanone
Biotin
Liquiritigenin
Formononetin
Retinol-1
Retinol-3
Retinol-2
17α-Estradiol
Glycitein
4-Androstene-3,17-dione
Testosterone
Ethynyl estradiol-2
Ethynyl estradiol-1
Sphingosine
Palmitoylethanolamide
Sphinganine
19-Hydroxytestosterone
17α-Hydroxypregnenolone-2
17α-Hydroxypregnenolone-1
Progesterone
AC(10:0)
Capillarisin
20α-Hydroxyprogesterone
5α-Pregnan-20α-ol-3-one
AEA(18:3)
Linoleyl ethanolamide
AEA(18:1)"
Stearoyl ethanolamide
17α-Hydroxyprogesterone-3
Deoxycorticosterone-3"
5β-pregnane-3α,21-diol-11,20-dione-2"
5β-pregnane-3α,21-diol-11,20-dione-1"
Ethyl arachidonate-2
Ethyl arachidonate-1
Prostaglandin B2
AC(12:1)
AC(12:0)-1
AC(12:0)-2
AEA(20:5)-1
AEA(20:5)-2
21-Deoxycortisol-2"
21-Deoxycortisol-1
Anandamide-1
Anandamide-2
AC(13:1)-2
AC(13:1)-1
Humulone"
AC(14:3)-1
AC(14:3)-2
Desmosterol-1"
Desmosterol-2"
Desmosterol-3"
7-Dehydrocholesterol-4
AC(14:2)
AC(14:1)-4
AC(14:1)-1
AC(14:1)-2
AC(14:1)-3
Cholesterol
AEA(22:6)
AC(14:0)
AEA(22:4)
Riboflavin
2-Arachidonoylglycerol
Campesterol
AC(15:0)-2
AC(15:0)-1
5α-Cholestan-3-one-1
5α-Cholestan-3-one-2
Eleutheroside B
Stigmasterol
AC(16:2)-1
AC(16:2)-2
Ergocalciferol
Sitosterol
AC(16:1)
Solanidine
Palmitoylcarnitine
Lanosterol"
AC(17:1)
AC(17:0)-1
AC(17:0)-2
Diosgenin
γ-Tocopherol
AC(18:2)
1-Myristoyl-glycero-3-phosphoethanolamine
AC(18:1)
AC(18:0)
Hecogenin-2
Hecogenin-1
α-Tocopherol
Corosolic acid-1
Corosolic acid-2
AC(20:0)
AC(21:0)
AC(22:0)
α-Tocopherol acetate
1-Palmitoyl-glycero-3-phosphocholine
AC(23:0)
PAF(17:0)
Zeaxanthin
Trilaurin
"1,2-Dipalmitoyl-glycero-3-phosphoethanolamine-1"
"1,2-Dipalmitoyl-glycero-3-phosphoethanolamine-2"
Sphingomyelin(d18:1/16:0)-1
Sphingomyelin(d18:1/16:0)-2
Sphingomyelin(d18:1/18:0)-2
Sphingomyelin(d18:1/18:0)-1
Thyroxine
Coenzyme Q10
METABOLITES_END
#END