#METABOLOMICS WORKBENCH Juneyoung_20250430_000957 DATATRACK_ID:5872 STUDY_ID:ST003908 ANALYSIS_ID:AN006414 PROJECT_ID:PR002446
VERSION             	1
CREATED_ON             	May 9, 2025, 10:07 am
#PROJECT
PR:PROJECT_TITLE                 	Fecal and serum untargeted metabolomics analysis in MDR2 WT, KO mouse
PR:PROJECT_SUMMARY               	Colesevelam treatment induces significant change of serum and fecal metabolite
PR:PROJECT_SUMMARY               	profile in Primary sclerosing cholangitis mouse model We aimed to identify
PR:PROJECT_SUMMARY               	metabolites differing between Mdr2 WT and KO mice through fecal and serum
PR:PROJECT_SUMMARY               	metabolomic analyses, and to determine whether changes in specific metabolites
PR:PROJECT_SUMMARY               	induced by the bile acid sequestrant colesevelam contribute to the amelioration
PR:PROJECT_SUMMARY               	of liver pathology.
PR:INSTITUTE                     	Kyung Hee University
PR:LAST_NAME                     	June-Young
PR:FIRST_NAME                    	Lee
PR:ADDRESS                       	Kyungheedae-ro 26, Seoul, South Korea
PR:EMAIL                         	hgod2356@khu.ac.kr
PR:PHONE                         	+8210-7720-0118
#STUDY
ST:STUDY_TITLE                   	Colesevelam induced serum and fecal metabolite profile in Mdr2 WT and KO mice -
ST:STUDY_TITLE                   	Feces
ST:STUDY_SUMMARY                 	Multidrug resistance protein 2 (MDR2) is essential for proper bile acid
ST:STUDY_SUMMARY                 	transport, and its deficiency leads to spontaneous development of chronic
ST:STUDY_SUMMARY                 	cholestatic liver disease resembling primary sclerosing cholangitis (PSC). To
ST:STUDY_SUMMARY                 	investigate the metabolic consequences of MDR2 loss and the therapeutic effects
ST:STUDY_SUMMARY                 	of bile acid sequestration, we utilized an Mdr2-knockout mouse model and
ST:STUDY_SUMMARY                 	performed fecal and serum metabolomic profiling. Comparative analyses between
ST:STUDY_SUMMARY                 	Mdr2 wildtype and knockout mice revealed significant alterations in bile
ST:STUDY_SUMMARY                 	acid–related metabolites and inflammatory metabolic signatures. Upon treatment
ST:STUDY_SUMMARY                 	with colesevelam, a clinically approved bile acid sequestrant, we observed a
ST:STUDY_SUMMARY                 	marked attenuation of hepatic inflammation and fibrosis. Metabolomic shifts
ST:STUDY_SUMMARY                 	following colesevelam administration highlighted specific metabolite changes
ST:STUDY_SUMMARY                 	potentially responsible for the observed hepatic improvement. These findings
ST:STUDY_SUMMARY                 	suggest a mechanistic link between bile acid modulation, systemic metabolism,
ST:STUDY_SUMMARY                 	and hepatic pathology, offering insights into the therapeutic potential of
ST:STUDY_SUMMARY                 	metabolic intervention in PSC. Fecal metabolite showed bile acid and indole
ST:STUDY_SUMMARY                 	derivatives was significantly changed by colesevelam treatment
ST:INSTITUTE                     	Kyung Hee University
ST:LAST_NAME                     	June-Young
ST:FIRST_NAME                    	Lee
ST:ADDRESS                       	Kyungheedae-ro 26, Seoul, South Korea
ST:EMAIL                         	hgod2356@khu.ac.kr
ST:PHONE                         	+8210-7720-0118
ST:NUM_GROUPS                    	4
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
SU:GENOTYPE_STRAIN               	FVB.129P2-Abcb4tm1Bor/J
SU:GENDER                        	Male
SU:ANIMAL_ANIMAL_SUPPLIER        	Jackson
SU:ANIMAL_HOUSING                	KyungHee University
SU:ANIMAL_WATER                  	Distilled water
#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           	KO-COL10	KO-COL10_Feces_positive	Sample source:Feces | Genotype:Mdr2-knockout | Treatment:Colesevelam	RAW_FILE_NAME(Raw file name)=KO_COL10_feces_pos.mzML
SUBJECT_SAMPLE_FACTORS           	KO-COL11	KO-COL11_Feces_positive	Sample source:Feces | Genotype:Mdr2-knockout | Treatment:Colesevelam	RAW_FILE_NAME(Raw file name)=KO_COL11_feces_pos.mzML
SUBJECT_SAMPLE_FACTORS           	KO-COL15	KO-COL15_Feces_positive	Sample source:Feces | Genotype:Mdr2-knockout | Treatment:Colesevelam	RAW_FILE_NAME(Raw file name)=KO_COL15_feces_pos.mzML
SUBJECT_SAMPLE_FACTORS           	KO-COL5	KO-COL5_Feces_positive	Sample source:Feces | Genotype:Mdr2-knockout | Treatment:Colesevelam	RAW_FILE_NAME(Raw file name)=KO_COL5_feces_pos.mzML
SUBJECT_SAMPLE_FACTORS           	KO-COL6	KO-COL6_Feces_positive	Sample source:Feces | Genotype:Mdr2-knockout | Treatment:Colesevelam	RAW_FILE_NAME(Raw file name)=KO_COL6_feces_pos.mzML
SUBJECT_SAMPLE_FACTORS           	KO-COL7	KO-COL7_Feces_positive	Sample source:Feces | Genotype:Mdr2-knockout | Treatment:Colesevelam	RAW_FILE_NAME(Raw file name)=KO_COL7_feces_pos.mzML
SUBJECT_SAMPLE_FACTORS           	KO-COL8	KO-COL8_Feces_positive	Sample source:Feces | Genotype:Mdr2-knockout | Treatment:Colesevelam	RAW_FILE_NAME(Raw file name)=KO_COL8_feces_pos.mzML
SUBJECT_SAMPLE_FACTORS           	KO-COL9	KO-COL9_Feces_positive	Sample source:Feces | Genotype:Mdr2-knockout | Treatment:Colesevelam	RAW_FILE_NAME(Raw file name)=KO_COL9_feces_pos.mzML
SUBJECT_SAMPLE_FACTORS           	KO-VEH10	KO-VEH10_Feces_positive	Sample source:Feces | Genotype:Mdr2-knockout | Treatment:Vehicle	RAW_FILE_NAME(Raw file name)=KO_VEH10_feces_pos.mzML
SUBJECT_SAMPLE_FACTORS           	KO-VEH11	KO-VEH11_Feces_positive	Sample source:Feces | Genotype:Mdr2-knockout | Treatment:Vehicle	RAW_FILE_NAME(Raw file name)=KO_VEH11_feces_pos.mzML
SUBJECT_SAMPLE_FACTORS           	KO-VEH14	KO-VEH14_Feces_positive	Sample source:Feces | Genotype:Mdr2-knockout | Treatment:Vehicle	RAW_FILE_NAME(Raw file name)=KO_VEH14_feces_pos.mzML
SUBJECT_SAMPLE_FACTORS           	KO-VEH3	KO-VEH3_Feces_positive	Sample source:Feces | Genotype:Mdr2-knockout | Treatment:Vehicle	RAW_FILE_NAME(Raw file name)=KO_VEH3_feces_pos.mzML
SUBJECT_SAMPLE_FACTORS           	KO-VEH4	KO-VEH4_Feces_positive	Sample source:Feces | Genotype:Mdr2-knockout | Treatment:Vehicle	RAW_FILE_NAME(Raw file name)=KO_VEH4_feces_pos.mzML
SUBJECT_SAMPLE_FACTORS           	KO-VEH5	KO-VEH5_Feces_positive	Sample source:Feces | Genotype:Mdr2-knockout | Treatment:Vehicle	RAW_FILE_NAME(Raw file name)=KO_VEH5_feces_pos.mzML
SUBJECT_SAMPLE_FACTORS           	KO-VEH9	KO-VEH9_Feces_positive	Sample source:Feces | Genotype:Mdr2-knockout | Treatment:Vehicle	RAW_FILE_NAME(Raw file name)=KO_VEH9_feces_pos.mzML
SUBJECT_SAMPLE_FACTORS           	WT-COL10	WT-COL10_Feces_positive	Sample source:Feces | Genotype:Wild-type | Treatment:Colesevelam	RAW_FILE_NAME(Raw file name)=WT_COL10_feces_pos.mzML
SUBJECT_SAMPLE_FACTORS           	WT-COL12	WT-COL12_Feces_positive	Sample source:Feces | Genotype:Wild-type | Treatment:Colesevelam	RAW_FILE_NAME(Raw file name)=WT_COL12_feces_pos.mzML
SUBJECT_SAMPLE_FACTORS           	WT-COL1	WT-COL1_Feces_positive	Sample source:Feces | Genotype:Wild-type | Treatment:Colesevelam	RAW_FILE_NAME(Raw file name)=WT_COL1_feces_pos.mzML
SUBJECT_SAMPLE_FACTORS           	WT-COL2	WT-COL2_Feces_positive	Sample source:Feces | Genotype:Wild-type | Treatment:Colesevelam	RAW_FILE_NAME(Raw file name)=WT_COL2_feces_pos.mzML
SUBJECT_SAMPLE_FACTORS           	WT-COL3	WT-COL3_Feces_positive	Sample source:Feces | Genotype:Wild-type | Treatment:Colesevelam	RAW_FILE_NAME(Raw file name)=WT_COL3_feces_pos.mzML
SUBJECT_SAMPLE_FACTORS           	WT-COL6	WT-COL6_Feces_positive	Sample source:Feces | Genotype:Wild-type | Treatment:Colesevelam	RAW_FILE_NAME(Raw file name)=WT_COL6_feces_pos.mzML
SUBJECT_SAMPLE_FACTORS           	WT-COL8	WT-COL8_Feces_positive	Sample source:Feces | Genotype:Wild-type | Treatment:Colesevelam	RAW_FILE_NAME(Raw file name)=WT_COL8_feces_pos.mzML
SUBJECT_SAMPLE_FACTORS           	WT-VEH11	WT-VEH11_Feces_positive	Sample source:Feces | Genotype:Wild-type | Treatment:Vehicle	RAW_FILE_NAME(Raw file name)=WT_VEH11_feces_pos.mzML
SUBJECT_SAMPLE_FACTORS           	WT-VEH14	WT-VEH14_Feces_positive	Sample source:Feces | Genotype:Wild-type | Treatment:Vehicle	RAW_FILE_NAME(Raw file name)=WT_VEH14_feces_pos.mzML
SUBJECT_SAMPLE_FACTORS           	WT-VEH1	WT-VEH1_Feces_positive	Sample source:Feces | Genotype:Wild-type | Treatment:Vehicle	RAW_FILE_NAME(Raw file name)=WT_VEH1_feces_pos.mzML
SUBJECT_SAMPLE_FACTORS           	WT-VEH2	WT-VEH2_Feces_positive	Sample source:Feces | Genotype:Wild-type | Treatment:Vehicle	RAW_FILE_NAME(Raw file name)=WT_VEH2_feces_pos.mzML
SUBJECT_SAMPLE_FACTORS           	WT-VEH4	WT-VEH4_Feces_positive	Sample source:Feces | Genotype:Wild-type | Treatment:Vehicle	RAW_FILE_NAME(Raw file name)=WT_VEH4_feces_pos.mzML
SUBJECT_SAMPLE_FACTORS           	WT-VEH7	WT-VEH7_Feces_positive	Sample source:Feces | Genotype:Wild-type | Treatment:Vehicle	RAW_FILE_NAME(Raw file name)=WT_VEH7_feces_pos.mzML
SUBJECT_SAMPLE_FACTORS           	WT-VEH8	WT-VEH8_Feces_positive	Sample source:Feces | Genotype:Wild-type | Treatment:Vehicle	RAW_FILE_NAME(Raw file name)=WT_VEH8_feces_pos.mzML
SUBJECT_SAMPLE_FACTORS           	KO-COL10	KO-COL10_Feces_negative	Sample source:Feces | Genotype:Mdr2-knockout | Treatment:Colesevelam	RAW_FILE_NAME(Raw file name)=KO_COL10_feces_neg.mzML
SUBJECT_SAMPLE_FACTORS           	KO-COL11	KO-COL11_Feces_negative	Sample source:Feces | Genotype:Mdr2-knockout | Treatment:Colesevelam	RAW_FILE_NAME(Raw file name)=KO_COL11_feces_neg.mzML
SUBJECT_SAMPLE_FACTORS           	KO-COL15	KO-COL15_Feces_negative	Sample source:Feces | Genotype:Mdr2-knockout | Treatment:Colesevelam	RAW_FILE_NAME(Raw file name)=KO_COL15_feces_neg.mzML
SUBJECT_SAMPLE_FACTORS           	KO-COL5	KO-COL5_Feces_negative	Sample source:Feces | Genotype:Mdr2-knockout | Treatment:Colesevelam	RAW_FILE_NAME(Raw file name)=KO_COL5_feces_neg.mzML
SUBJECT_SAMPLE_FACTORS           	KO-COL6	KO-COL6_Feces_negative	Sample source:Feces | Genotype:Mdr2-knockout | Treatment:Colesevelam	RAW_FILE_NAME(Raw file name)=KO_COL6_feces_neg.mzML
SUBJECT_SAMPLE_FACTORS           	KO-COL7	KO-COL7_Feces_negative	Sample source:Feces | Genotype:Mdr2-knockout | Treatment:Colesevelam	RAW_FILE_NAME(Raw file name)=KO_COL7_feces_neg.mzML
SUBJECT_SAMPLE_FACTORS           	KO-COL8	KO-COL8_Feces_negative	Sample source:Feces | Genotype:Mdr2-knockout | Treatment:Colesevelam	RAW_FILE_NAME(Raw file name)=KO_COL8_feces_neg.mzML
SUBJECT_SAMPLE_FACTORS           	KO-COL9	KO-COL9_Feces_negative	Sample source:Feces | Genotype:Mdr2-knockout | Treatment:Colesevelam	RAW_FILE_NAME(Raw file name)=KO_COL9_feces_neg.mzML
SUBJECT_SAMPLE_FACTORS           	KO-VEH10	KO-VEH10_Feces_negative	Sample source:Feces | Genotype:Mdr2-knockout | Treatment:Vehicle	RAW_FILE_NAME(Raw file name)=KO_VEH10_feces_neg.mzML
SUBJECT_SAMPLE_FACTORS           	KO-VEH11	KO-VEH11_Feces_negative	Sample source:Feces | Genotype:Mdr2-knockout | Treatment:Vehicle	RAW_FILE_NAME(Raw file name)=KO_VEH11_feces_neg.mzML
SUBJECT_SAMPLE_FACTORS           	KO-VEH14	KO-VEH14_Feces_negative	Sample source:Feces | Genotype:Mdr2-knockout | Treatment:Vehicle	RAW_FILE_NAME(Raw file name)=KO_VEH14_feces_neg.mzML
SUBJECT_SAMPLE_FACTORS           	KO-VEH3	KO-VEH3_Feces_negative	Sample source:Feces | Genotype:Mdr2-knockout | Treatment:Vehicle	RAW_FILE_NAME(Raw file name)=KO_VEH3_feces_neg.mzML
SUBJECT_SAMPLE_FACTORS           	KO-VEH4	KO-VEH4_Feces_negative	Sample source:Feces | Genotype:Mdr2-knockout | Treatment:Vehicle	RAW_FILE_NAME(Raw file name)=KO_VEH4_feces_neg.mzML
SUBJECT_SAMPLE_FACTORS           	KO-VEH5	KO-VEH5_Feces_negative	Sample source:Feces | Genotype:Mdr2-knockout | Treatment:Vehicle	RAW_FILE_NAME(Raw file name)=KO_VEH5_feces_neg.mzML
SUBJECT_SAMPLE_FACTORS           	KO-VEH9	KO-VEH9_Feces_negative	Sample source:Feces | Genotype:Mdr2-knockout | Treatment:Vehicle	RAW_FILE_NAME(Raw file name)=KO_VEH9_feces_neg.mzML
SUBJECT_SAMPLE_FACTORS           	WT-COL10	WT-COL10_Feces_negative	Sample source:Feces | Genotype:Wild-type | Treatment:Colesevelam	RAW_FILE_NAME(Raw file name)=WT_COL10_feces_neg.mzML
SUBJECT_SAMPLE_FACTORS           	WT-COL12	WT-COL12_Feces_negative	Sample source:Feces | Genotype:Wild-type | Treatment:Colesevelam	RAW_FILE_NAME(Raw file name)=WT_COL12_feces_neg.mzML
SUBJECT_SAMPLE_FACTORS           	WT-COL1	WT-COL1_Feces_negative	Sample source:Feces | Genotype:Wild-type | Treatment:Colesevelam	RAW_FILE_NAME(Raw file name)=WT_COL1_feces_neg.mzML
SUBJECT_SAMPLE_FACTORS           	WT-COL2	WT-COL2_Feces_negative	Sample source:Feces | Genotype:Wild-type | Treatment:Colesevelam	RAW_FILE_NAME(Raw file name)=WT_COL2_feces_neg.mzML
SUBJECT_SAMPLE_FACTORS           	WT-COL3	WT-COL3_Feces_negative	Sample source:Feces | Genotype:Wild-type | Treatment:Colesevelam	RAW_FILE_NAME(Raw file name)=WT_COL3_feces_neg.mzML
SUBJECT_SAMPLE_FACTORS           	WT-COL6	WT-COL6_Feces_negative	Sample source:Feces | Genotype:Wild-type | Treatment:Colesevelam	RAW_FILE_NAME(Raw file name)=WT_COL6_feces_neg.mzML
SUBJECT_SAMPLE_FACTORS           	WT-COL8	WT-COL8_Feces_negative	Sample source:Feces | Genotype:Wild-type | Treatment:Colesevelam	RAW_FILE_NAME(Raw file name)=WT_COL8_feces_neg.mzML
SUBJECT_SAMPLE_FACTORS           	WT-VEH11	WT-VEH11_Feces_negative	Sample source:Feces | Genotype:Wild-type | Treatment:Vehicle	RAW_FILE_NAME(Raw file name)=WT_VEH11_feces_neg.mzML
SUBJECT_SAMPLE_FACTORS           	WT-VEH14	WT-VEH14_Feces_negative	Sample source:Feces | Genotype:Wild-type | Treatment:Vehicle	RAW_FILE_NAME(Raw file name)=WT_VEH14_feces_neg.mzML
SUBJECT_SAMPLE_FACTORS           	WT-VEH1	WT-VEH1_Feces_negative	Sample source:Feces | Genotype:Wild-type | Treatment:Vehicle	RAW_FILE_NAME(Raw file name)=WT_VEH1_feces_neg.mzML
SUBJECT_SAMPLE_FACTORS           	WT-VEH2	WT-VEH2_Feces_negative	Sample source:Feces | Genotype:Wild-type | Treatment:Vehicle	RAW_FILE_NAME(Raw file name)=WT_VEH2_feces_neg.mzML
SUBJECT_SAMPLE_FACTORS           	WT-VEH4	WT-VEH4_Feces_negative	Sample source:Feces | Genotype:Wild-type | Treatment:Vehicle	RAW_FILE_NAME(Raw file name)=WT_VEH4_feces_neg.mzML
SUBJECT_SAMPLE_FACTORS           	WT-VEH7	WT-VEH7_Feces_negative	Sample source:Feces | Genotype:Wild-type | Treatment:Vehicle	RAW_FILE_NAME(Raw file name)=WT_VEH7_feces_neg.mzML
SUBJECT_SAMPLE_FACTORS           	WT-VEH8	WT-VEH8_Feces_negative	Sample source:Feces | Genotype:Wild-type | Treatment:Vehicle	RAW_FILE_NAME(Raw file name)=WT_VEH8_feces_neg.mzML
#COLLECTION
CO:COLLECTION_SUMMARY            	Fecal and serum samples were collected from Mdr2-knockout and wildtype mice
CO:COLLECTION_SUMMARY            	following an 8-week treatment period with either colesevelam or vehicle control.
CO:COLLECTION_SUMMARY            	Fecal samples were directly collected at the end of the treatment period, while
CO:COLLECTION_SUMMARY            	serum samples were obtained via cardiac puncture immediately prior to liver
CO:COLLECTION_SUMMARY            	tissue harvest. For metabolomic analysis, 0.04 g of fecal material and
CO:COLLECTION_SUMMARY            	100 μL of serum were used per sample. All samples were snap-frozen and stored
CO:COLLECTION_SUMMARY            	at –80 °C until extraction. No in vitro cell lines were used in this study.
CO:SAMPLE_TYPE                   	Feces
CO:COLLECTION_LOCATION           	Feces
CO:STORAGE_CONDITIONS            	-80℃
#TREATMENT
TR:TREATMENT_SUMMARY             	FVB/N wild-type (WT, Mdr2+/+) and Mdr2−/− (knock-out, KO) littermate mice
TR:TREATMENT_SUMMARY             	were obtained by breeding heterozygous pairs bought from the Jackson Laboratory
TR:TREATMENT_SUMMARY             	(Bar Habor, Maine, USA). WT and KO littermates were housed under a 12-hour
TR:TREATMENT_SUMMARY             	light/dark cycle, and allowed access to water and a standard chow diet (2918C;
TR:TREATMENT_SUMMARY             	Envigo) ad libitum. Both WT and KO mice were randomly assigned to cages for each
TR:TREATMENT_SUMMARY             	group (vehicle- and colesevelam-treated) at 3–4 weeks of age. Colesevelam (a
TR:TREATMENT_SUMMARY             	BA sequestrant, cas#182815-44-7) was obtained from BOC Sciences (Ramsey Road
TR:TREATMENT_SUMMARY             	Shirley, NY, USA). From 7–8 weeks of age, male Mdr2+/+ and Mdr2−/−
TR:TREATMENT_SUMMARY             	littermate mice received either a control chow diet or a diet supplemented with
TR:TREATMENT_SUMMARY             	2% (w/w) colesevelam for 8 weeks.
TR:TREATMENT_COMPOUND            	normal chow diet or Colesevelam included diet
TR:TREATMENT_ROUTE               	oral route
TR:TREATMENT_DOSE                	2% (w/w) colesevelam
TR:TREATMENT_DOSEDURATION        	8 weeks
TR:TREATMENT_VEHICLE             	normal chow diet
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Serum and fecal samples were thawed at 4°C before extraction. Briefly, 100 μL
SP:SAMPLEPREP_SUMMARY            	of serum and 0.04 g of feces was added to 900 μL of a solution comprising
SP:SAMPLEPREP_SUMMARY            	MeOH:acetonitrile:water (1:1:2, v/v) containing reserpine 10 μM and 0.1% (v/v)
SP:SAMPLEPREP_SUMMARY            	formic acid. The serum and fecal solutions were then homogenized by vortexing
SP:SAMPLEPREP_SUMMARY            	for 5 min, followed by centrifugation at 13,000 × g at 4°C for 10 min. After
SP:SAMPLEPREP_SUMMARY            	centrifugation, the supernatant was filtered through a 0.2 μm pore
SP:SAMPLEPREP_SUMMARY            	polytetrafluoroethylene polymer filter and transferred to a new glass vial.
SP:SAMPLEPREP_PROTOCOL_FILENAME  	JYL_protocol.pdf
SP:PROCESSING_STORAGE_CONDITIONS 	On ice
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	See protocol file
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Thermo Vanquish
CH:COLUMN_NAME                   	Agilent ZORBAX Eclipse Plus C18 (100 x 2.1mm,3.5um)
CH:SOLVENT_A                     	100% water; 0.1% formic acid
CH:SOLVENT_B                     	100% acetonitrile; 0.1% formic acid
CH:FLOW_GRADIENT                 	The gradient started with 95% A for 1min, decreasing to 5% A in 14 min,
CH:FLOW_GRADIENT                 	holding at 5% A for 3 min, moving immediately to 95% A, and then holding at
CH:FLOW_GRADIENT                 	95% A for 2 min.
CH:FLOW_RATE                     	0.5 mL/min
CH:COLUMN_TEMPERATURE            	45
CH:METHODS_FILENAME              	JYL_protocol.pdf
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:LABORATORY_NAME               	Seoul Biohub
AN:SOFTWARE_VERSION              	Xcalibur, version 4.1.31.9
AN:ACQUISITION_DATE              	2023.08
AN:ANALYSIS_PROTOCOL_FILE        	JYL_protocol.pdf
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	See protocol file
MS:ION_SPRAY_VOLTAGE             	3.5 kV
MS:IONIZATION                    	heated electrospray ionization source
MS:DATAFORMAT                    	RAW
MS:MS_RESULTS_FILE               	ST003908_AN006414_Results.txt	UNITS:peak area	Has m/z:Yes	Has RT:Yes	RT units:Seconds
#END