#METABOLOMICS WORKBENCH Hitomi_20250707_063807 DATATRACK_ID:6140 STUDY_ID:ST004065 ANALYSIS_ID:AN006727 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                      	NEGATIVE
MS:MS_COMMENTS                   	LC-TOFMS(Basic) negative 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
FA(12:1)	5.0E-06	8.2E-06	N.D.	N.D.	N.D.	1.1E-05	1.1E-05	1.7E-05	8.3E-06	1.0E-05											
FA(12:0)	1.7E-05	1.3E-05	1.1E-05	1.9E-05	1.3E-05	2.0E-05	2.5E-05	2.4E-05	2.0E-05	1.2E-05											
FA(13:0)-2	7.4E-06	4.9E-06	6.1E-06	3.8E-06	2.8E-06	N.D.	N.D.	N.D.	N.D.	N.D.											
FA(13:0)-1	3.1E-06	N.D.	4.4E-06	N.D.	5.4E-06	N.D.	N.D.	N.D.	N.D.	N.D.											
FA(14:3)	3.9E-04	3.9E-04	9.7E-04	5.9E-04	6.3E-04	2.2E-04	3.1E-04	7.6E-04	7.8E-04	2.9E-04											
FA(14:2)-2	2.7E-05	2.1E-05	1.4E-05	2.3E-05	6.6E-06	2.4E-05	2.4E-05	3.2E-05	1.8E-05	1.2E-05											
FA(14:2)-1	1.3E-05	6.9E-06	7.7E-06	1.7E-05	7.0E-06	3.7E-05	2.0E-05	3.4E-05	2.4E-05	3.0E-05											
FA(14:1)-1	4.6E-05	3.2E-05	1.8E-05	3.7E-05	1.3E-05	8.9E-05	7.6E-05	9.0E-05	5.2E-05	3.5E-05											
FA(14:1)-2	3.5E-05	2.0E-05	1.5E-05	3.2E-05	8.7E-06	1.9E-05	3.1E-05	2.8E-05	1.2E-05	8.0E-06											
Myristic acid	7.1E-04	4.1E-04	2.0E-04	6.6E-04	1.7E-04	4.5E-04	7.4E-04	7.9E-04	2.6E-04	3.6E-04											
FA(15:1)	1.6E-05	7.9E-06	8.8E-06	9.1E-06	6.0E-06	N.D.	N.D.	N.D.	3.2E-06	3.1E-06											
Pentadecanoic acid	6.0E-05	6.5E-05	3.9E-05	5.1E-05	4.2E-05	3.5E-05	4.3E-05	4.9E-05	3.9E-05	4.1E-05											
FA(15:0)	1.5E-05	1.8E-05	1.0E-05	1.4E-05	5.4E-06	8.5E-06	9.9E-06	9.5E-06	N.D.	7.2E-06											
3-Hydroxytetradecanoic acid	5.3E-05	4.0E-05	3.4E-05	5.0E-05	2.7E-05	5.3E-05	5.3E-05	6.2E-05	4.3E-05	4.4E-05											
FA(16:3)-2	3.7E-05	1.9E-05	1.7E-05	2.6E-05	1.1E-05	N.D.	N.D.	N.D.	3.3E-06	N.D.											
FA(16:3)-1	4.4E-05	3.8E-05	2.8E-05	4.2E-05	2.4E-05	3.3E-05	5.9E-05	5.1E-05	4.1E-05	3.2E-05											
FA(16:2)-2	2.1E-04	1.3E-04	7.1E-05	1.5E-04	8.6E-05	5.5E-05	8.2E-05	9.0E-05	4.5E-05	2.6E-05											
FA(16:2)-1	1.2E-05	9.5E-06	5.0E-06	1.2E-05	N.D.	1.5E-05	2.9E-05	2.6E-05	1.1E-05	1.5E-05											
Daidzein	3.3E-04	1.8E-04	5.1E-05	1.7E-04	2.4E-04	N.D.	N.D.	N.D.	N.D.	N.D.											
Palmitoleic acid	5.0E-03	2.7E-03	1.5E-03	4.0E-03	1.4E-03	2.8E-03	4.5E-03	4.8E-03	1.9E-03	2.0E-03											
Palmitic acid	5.4E-03	4.1E-03	2.8E-03	4.5E-03	2.9E-03	4.7E-03	6.1E-03	6.0E-03	4.3E-03	4.4E-03											
FA(17:2)	5.8E-05	2.4E-05	1.8E-05	3.3E-05	1.6E-05	1.7E-05	2.8E-05	2.5E-05	1.4E-05	1.8E-05											
FA(17:1)	3.0E-04	1.8E-04	1.2E-04	2.0E-04	1.2E-04	2.0E-04	2.9E-04	3.1E-04	1.4E-04	1.8E-04											
Baicalein	1.5E-04	1.4E-04	7.1E-05	1.5E-04	1.9E-04	N.D.	N.D.	N.D.	N.D.	N.D.											
Genistein	3.9E-05	3.6E-05	2.0E-05	3.7E-05	5.2E-05	N.D.	N.D.	N.D.	N.D.	N.D.											
FA(17:0)-1"	7.2E-05	4.4E-05	3.8E-05	4.7E-05	3.0E-05	4.3E-05	7.9E-05	6.6E-05	4.4E-05	4.3E-05											
FA(17:0)-2"	3.3E-04	2.2E-04	1.8E-04	2.8E-04	2.0E-04	2.4E-04	3.2E-04	3.0E-04	2.1E-04	2.6E-04											
Stearidonic acid	2.3E-04	1.7E-04	8.5E-05	1.8E-04	9.1E-05	4.0E-05	4.6E-05	5.2E-05	5.2E-05	2.6E-05											
Linolenic acid	7.1E-03	4.0E-03	2.8E-03	5.6E-03	2.6E-03	2.0E-03	3.2E-03	3.4E-03	1.8E-03	1.8E-03											
Linoleic acid	1.7E-02	1.2E-02	8.3E-03	1.4E-02	8.6E-03	7.4E-03	1.0E-02	1.2E-02	6.6E-03	6.8E-03											
Oleic acid	1.2E-02	7.5E-03	4.7E-03	7.7E-03	4.1E-03	1.1E-02	1.6E-02	1.8E-02	7.8E-03	1.1E-02											
Stearic acid	2.9E-03	2.5E-03	2.1E-03	2.6E-03	1.8E-03	4.3E-03	5.3E-03	4.9E-03	3.9E-03	4.5E-03											
FA(19:2)	6.6E-05	4.4E-05	2.9E-05	5.2E-05	3.3E-05	4.4E-05	5.9E-05	6.0E-05	3.6E-05	4.9E-05											
FA(19:1)	1.5E-04	1.0E-04	7.0E-05	1.1E-04	7.9E-05	9.5E-05	1.4E-04	1.4E-04	7.6E-05	8.7E-05											
Ricinoleic acid-1	8.1E-05	4.3E-05	2.5E-05	4.1E-05	1.4E-05	1.3E-04	6.6E-05	9.3E-05	1.2E-04	5.9E-05											
Ricinoleic acid-3	1.6E-04	1.4E-04	7.8E-05	1.4E-04	4.2E-05	1.1E-04	1.8E-04	1.4E-04	8.5E-05	1.1E-04											
Ricinoleic acid-2	1.3E-04	1.1E-04	4.1E-05	1.2E-04	4.2E-05	1.1E-04	2.2E-04	2.2E-04	6.9E-05	1.6E-04											
Ricinoleic acid-4	6.6E-05	3.8E-05	3.9E-05	7.8E-05	2.2E-05	2.0E-05	5.3E-05	4.8E-05	3.6E-05	4.0E-05											
FA(19:0)-1	1.3E-05	8.6E-06	7.9E-06	6.5E-06	8.2E-06	8.1E-06	9.8E-06	N.D.	5.0E-06	4.7E-06											
FA(19:0)-2	3.9E-05	4.1E-05	3.1E-05	4.1E-05	2.9E-05	1.6E-05	2.9E-05	2.2E-05	1.7E-05	2.4E-05											
"cis-5,8,11,14,17-Eicosapentaenoic acid"	4.0E-03	2.8E-03	2.0E-03	3.6E-03	2.1E-03	6.6E-04	9.2E-04	6.5E-04	7.4E-04	4.6E-04											
Arachidonic acid	6.7E-03	3.8E-03	4.1E-03	5.3E-03	4.4E-03	1.0E-02	1.0E-02	9.2E-03	7.9E-03	8.2E-03											
"cis-8,11,14-Eicosatrienoic acid"	2.6E-03	1.3E-03	1.1E-03	1.6E-03	1.3E-03	1.7E-03	2.1E-03	2.0E-03	1.4E-03	1.5E-03											
FA(20:3)	1.5E-03	1.1E-03	6.1E-04	1.1E-03	5.3E-04	3.0E-03	3.8E-03	3.8E-03	2.9E-03	3.6E-03											
"cis-11,14-Eicosadienoic acid-1"	4.1E-05	3.5E-05	1.3E-05	3.0E-05	1.8E-05	8.8E-05	1.1E-04	1.2E-04	8.8E-05	1.1E-04											
"cis-11,14-Eicosadienoic acid-2"	1.1E-03	5.9E-04	4.8E-04	6.4E-04	5.1E-04	9.5E-04	1.5E-03	1.4E-03	7.6E-04	1.1E-03											
cis-11-Eicosenoic acid	2.2E-03	1.2E-03	8.3E-04	9.1E-04	1.1E-03	1.5E-03	3.5E-03	2.3E-03	1.3E-03	1.7E-03											
Arachidic acid	9.4E-05	7.0E-05	5.6E-05	6.3E-05	6.6E-05	8.4E-05	1.0E-04	8.5E-05	6.2E-05	7.9E-05											
15(S)-HETE-1	N.D.	3.0E-05	2.7E-05	2.6E-05	N.D.	1.3E-05	2.0E-05	1.5E-05	1.5E-05	N.D.											
15(S)-HETE-2	3.2E-05	1.2E-05	N.D.	1.4E-05	9.6E-06	4.4E-06	7.7E-06	N.D.	N.D.	N.D.											
15(S)-HETE-4	1.6E-05	1.5E-05	2.0E-05	2.8E-05	1.5E-05	3.6E-05	5.7E-05	2.7E-05	3.9E-05	5.4E-05											
15(S)-HETE-3	3.2E-03	2.6E-03	3.8E-03	2.6E-03	3.5E-03	3.4E-03	4.9E-03	4.4E-03	6.1E-03	7.9E-03											
19-Methylarachidic acid"	1.0E-05	6.2E-06	8.6E-06	N.D.	2.9E-06	6.0E-06	1.4E-05	2.8E-06	N.D.	5.8E-06											
"cis-4,7,10,13,16,19-Docosahexaenoic acid-1"	1.0E-03	7.4E-04	5.1E-04	7.8E-04	4.7E-04	4.9E-04	8.1E-04	5.7E-04	4.8E-04	4.0E-04											
"cis-4,7,10,13,16,19-Docosahexaenoic acid-2"	1.2E-02	9.3E-03	7.1E-03	1.1E-02	7.1E-03	8.9E-03	1.1E-02	8.0E-03	8.4E-03	6.6E-03											
FA(22:5)-1	1.4E-03	7.1E-04	5.7E-04	8.0E-04	5.7E-04	2.9E-03	3.2E-03	3.1E-03	2.9E-03	3.5E-03											
FA(22:5)-2	5.6E-03	3.4E-03	2.1E-03	4.1E-03	2.0E-03	1.2E-03	2.2E-03	1.8E-03	1.4E-03	1.2E-03											
FA(22:4)-1	4.3E-05	2.2E-05	1.8E-05	2.5E-05	1.9E-05	8.5E-05	1.1E-04	1.0E-04	9.9E-05	1.0E-04											
FA(22:4)-2	3.2E-03	1.8E-03	1.0E-03	1.8E-03	1.0E-03	3.8E-03	6.2E-03	5.4E-03	3.8E-03	3.8E-03											
FA(22:3)-2	3.5E-05	1.7E-05	1.8E-05	1.8E-05	2.0E-05	3.1E-05	2.9E-05	3.5E-05	2.3E-05	2.8E-05											
FA(22:3)-1	4.1E-05	2.2E-05	1.9E-05	2.6E-05	2.0E-05	6.7E-05	1.2E-04	1.1E-04	7.3E-05	1.2E-04											
Leukotriene B4-1	2.8E-05	1.3E-05	1.1E-05	1.7E-05	1.2E-05	1.3E-05	1.8E-05	1.1E-05	1.9E-05	1.6E-05											
Leukotriene B4-2	1.4E-05	N.D.	N.D.	7.8E-06	5.0E-06	N.D.	1.6E-05	N.D.	N.D.	N.D.											
Leukotriene B4-3	1.9E-05	1.3E-05	1.9E-05	2.5E-05	2.2E-05	2.8E-05	5.2E-05	2.6E-05	3.3E-05	3.2E-05											
FA(22:2)	1.7E-05	1.3E-05	1.1E-05	1.4E-05	1.3E-05	1.3E-05	2.2E-05	1.8E-05	1.0E-05	1.4E-05											
Erucic acid	6.3E-05	5.2E-05	4.4E-05	3.4E-05	6.2E-05	4.5E-05	8.4E-05	6.2E-05	4.4E-05	4.3E-05											
Behenic acid	2.8E-05	1.6E-05	2.2E-05	2.5E-05	2.4E-05	1.6E-05	2.6E-05	2.0E-05	1.1E-05	2.2E-05											
FA(24:5)	4.3E-04	1.9E-04	1.7E-04	2.6E-04	1.7E-04	3.2E-04	3.7E-04	3.4E-04	3.2E-04	3.9E-04											
FA(24:4)-1	1.8E-05	8.9E-06	8.1E-06	1.0E-05	N.D.	1.5E-05	1.6E-05	1.3E-05	1.0E-05	1.2E-05											
FA(24:4)-3	3.8E-06	N.D.	3.0E-06	5.0E-06	4.3E-06	3.5E-06	1.6E-05	1.6E-05	1.4E-05	1.9E-05											
FA(24:4)-2	6.4E-05	2.7E-05	2.6E-05	3.2E-05	3.2E-05	6.4E-05	7.8E-05	7.5E-05	6.9E-05	7.5E-05											
FA(24:2)	1.0E-05	6.6E-06	8.4E-06	5.3E-06	6.6E-06	3.5E-06	3.6E-06	5.7E-06	5.9E-06	5.0E-06											
Nervonic acid	4.7E-05	3.0E-05	3.2E-05	2.8E-05	4.2E-05	2.2E-05	3.0E-05	1.5E-05	2.3E-05	2.3E-05											
Dehydroisoandrosterone 3-sulfate	N.D.	N.D.	7.4E-06	4.4E-06	N.D.	4.3E-06	3.9E-06	2.4E-05	1.6E-05	3.0E-06											
FA(24:0)	1.0E-05	7.5E-06	6.1E-06	5.8E-06	6.7E-06	2.4E-06	6.4E-06	5.1E-06	3.3E-06	5.7E-06											
Lithocholic acid	9.2E-06	7.8E-06	1.0E-05	1.4E-05	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.											
FA(25:3)	9.1E-06	N.D.	N.D.	5.5E-06	4.0E-06	N.D.	N.D.	N.D.	N.D.	N.D.											
LPA(14:0)	2.6E-05	N.D.	4.7E-05	N.D.	1.1E-05	N.D.	N.D.	N.D.	3.1E-05	N.D.											
Deoxycholic acid	3.6E-04	5.6E-04	5.0E-04	1.2E-03	1.8E-04	2.2E-05	2.8E-05	1.7E-04	1.6E-05	8.5E-06											
Ursodeoxycholic acid	N.D.	7.9E-06	N.D.	N.D.	N.D.	N.D.	N.D.	5.0E-06	N.D.	N.D.											
Hyodeoxycholic acid	7.7E-06	3.5E-05	2.2E-05	6.5E-05	1.7E-05	N.D.	3.4E-06	3.6E-06	N.D.	N.D.											
Cholic acid	5.9E-05	1.2E-04	3.2E-05	5.6E-05	1.7E-05	N.D.	N.D.	1.3E-05	4.4E-06	N.D.											
Lupulone-3	2.1E-05	2.6E-05	2.9E-05	1.8E-05	2.0E-05	2.8E-05	2.9E-05	2.3E-05	2.1E-05	3.0E-05											
Lupulone-1	3.4E-05	3.0E-05	2.7E-05	4.6E-05	1.7E-05	3.6E-05	3.3E-05	2.7E-05	3.6E-05	1.9E-05											
Lupulone-2	2.7E-05	3.3E-05	3.5E-05	2.8E-05	2.1E-05	4.1E-05	3.1E-05	2.9E-05	4.3E-05	3.4E-05											
Glycolithocholic acid	N.D.	N.D.	3.8E-06	N.D.	N.D.	N.D.	N.D.	3.5E-06	N.D.	N.D.											
Betulinic acid	N.D.	1.2E-05	7.6E-06	7.6E-06	7.4E-06	N.D.	N.D.	4.8E-06	N.D.	N.D.											
Glycocholic acid	N.D.	N.D.	N.D.	N.D.	5.0E-06	N.D.	N.D.	N.D.	N.D.	4.0E-06											
Cholesterol sulfate	7.8E-03	7.7E-03	7.2E-03	8.8E-03	7.3E-03	8.2E-03	7.9E-03	8.1E-03	8.3E-03	7.9E-03											
Taurolithocholic acid	N.D.	6.7E-06	N.D.	9.5E-06	7.1E-06	N.D.	N.D.	N.D.	N.D.	N.D.											
Asiatic acid	4.9E-06	5.8E-06	N.D.	8.1E-06	4.0E-06	5.3E-06	N.D.	2.4E-06	5.8E-06	5.0E-06											
Tauroursodeoxycholic acid	2.2E-05	4.0E-05	1.1E-04	1.7E-04	4.7E-04	1.2E-05	4.0E-05	2.0E-05	1.2E-05	1.5E-04											
Taurochenodeoxycholic acid	2.2E-05	1.6E-05	2.7E-05	4.4E-05	1.7E-04	1.1E-05	2.5E-05	1.7E-05	1.4E-05	1.2E-04											
Taurodeoxycholic acid	2.8E-04	3.1E-04	6.7E-04	1.2E-03	1.5E-03	1.4E-05	6.2E-05	1.5E-04	1.2E-05	2.6E-05											
Taurocholic acid	3.3E-04	2.6E-04	1.0E-03	1.2E-03	4.9E-03	2.1E-04	1.5E-03	3.5E-04	5.2E-04	8.2E-03											
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name
FA(12:1)
FA(12:0)
FA(13:0)-2
FA(13:0)-1
FA(14:3)
FA(14:2)-2
FA(14:2)-1
FA(14:1)-1
FA(14:1)-2
Myristic acid
FA(15:1)
Pentadecanoic acid
FA(15:0)
3-Hydroxytetradecanoic acid
FA(16:3)-2
FA(16:3)-1
FA(16:2)-2
FA(16:2)-1
Daidzein
Palmitoleic acid
Palmitic acid
FA(17:2)
FA(17:1)
Baicalein
Genistein
FA(17:0)-1"
FA(17:0)-2"
Stearidonic acid
Linolenic acid
Linoleic acid
Oleic acid
Stearic acid
FA(19:2)
FA(19:1)
Ricinoleic acid-1
Ricinoleic acid-3
Ricinoleic acid-2
Ricinoleic acid-4
FA(19:0)-1
FA(19:0)-2
"cis-5,8,11,14,17-Eicosapentaenoic acid"
Arachidonic acid
"cis-8,11,14-Eicosatrienoic acid"
FA(20:3)
"cis-11,14-Eicosadienoic acid-1"
"cis-11,14-Eicosadienoic acid-2"
cis-11-Eicosenoic acid
Arachidic acid
15(S)-HETE-1
15(S)-HETE-2
15(S)-HETE-4
15(S)-HETE-3
19-Methylarachidic acid"
"cis-4,7,10,13,16,19-Docosahexaenoic acid-1"
"cis-4,7,10,13,16,19-Docosahexaenoic acid-2"
FA(22:5)-1
FA(22:5)-2
FA(22:4)-1
FA(22:4)-2
FA(22:3)-2
FA(22:3)-1
Leukotriene B4-1
Leukotriene B4-2
Leukotriene B4-3
FA(22:2)
Erucic acid
Behenic acid
FA(24:5)
FA(24:4)-1
FA(24:4)-3
FA(24:4)-2
FA(24:2)
Nervonic acid
Dehydroisoandrosterone 3-sulfate
FA(24:0)
Lithocholic acid
FA(25:3)
LPA(14:0)
Deoxycholic acid
Ursodeoxycholic acid
Hyodeoxycholic acid
Cholic acid
Lupulone-3
Lupulone-1
Lupulone-2
Glycolithocholic acid
Betulinic acid
Glycocholic acid
Cholesterol sulfate
Taurolithocholic acid
Asiatic acid
Tauroursodeoxycholic acid
Taurochenodeoxycholic acid
Taurodeoxycholic acid
Taurocholic acid
METABOLITES_END
#END