#METABOLOMICS WORKBENCH huntermoseley_20200822_085524 DATATRACK_ID:2142 STUDY_ID:ST001462 ANALYSIS_ID:AN002437 PROJECT_ID:000000
VERSION             	1
CREATED_ON             	August 26, 2020, 5:29 pm
#PROJECT
PR:PROJECT_TITLE                 	Metabolomics of lung injury after allogeneic hematopoietic cell transplantation
PR:PROJECT_SUMMARY               	Allogeneic hematopoietic cell transplantation (allo-HCT) is a potentially
PR:PROJECT_SUMMARY               	curative treatment option for a variety of hematological malignancies.
PR:PROJECT_SUMMARY               	Interactions between the donor immune system and the patient tissue result in a
PR:PROJECT_SUMMARY               	disease, called GVHD. The pathophysiology of acute GVHD can be hypothesized in
PR:PROJECT_SUMMARY               	three sequential phases: cytokine storm and activation of the antigen-presenting
PR:PROJECT_SUMMARY               	cells (APC), donor T cell activation and effector cell phase. Idiopathic
PR:PROJECT_SUMMARY               	pneumonia syndrome (IPS) is one of the most deleterious complications after
PR:PROJECT_SUMMARY               	allogeneic HCT and is considered not only to be related to conditioning regimen
PR:PROJECT_SUMMARY               	toxicity but also represents an end organ damage caused by allo-reactive T
PR:PROJECT_SUMMARY               	cells, therefore making the lung susceptible to a two-pronged attack, one of
PR:PROJECT_SUMMARY               	which overlaps with GVHD causing other target organ injury. IPS results in
PR:PROJECT_SUMMARY               	mortality of up to 90% of patients. We will use a murine model of IPS and GVHD
PR:PROJECT_SUMMARY               	which is well established in our group, and in which disease evolves either
PR:PROJECT_SUMMARY               	across disparities in major histocompatibility complex (MCH) class I and II,
PR:PROJECT_SUMMARY               	minor histocompatibility antigens (miHags) or both. Metabolomics changes
PR:PROJECT_SUMMARY               	following syngeneic and allogeneic HCT at post-transplantation Days +7 (cytokine
PR:PROJECT_SUMMARY               	storm phase) and Days +42 (cellular effector phase) are compared to baseline
PR:PROJECT_SUMMARY               	wild-type (naive) controls. Prior to analysis, naïve - and experimental mice
PR:PROJECT_SUMMARY               	(N=3 from each group) were fed with semi-liquid diet supplemented with tracers
PR:PROJECT_SUMMARY               	(13C6-glucose ) over 24 hours. At the end of 7 days or 42 days, respectively,
PR:PROJECT_SUMMARY               	feces and aGVHD target organs (colon, liver and lung) were collected from all
PR:PROJECT_SUMMARY               	groups and further processed and / or analyzed. We expect to reveal metabolic
PR:PROJECT_SUMMARY               	pathways affected after allo-HCT which contribute to immune cell mediated lung
PR:PROJECT_SUMMARY               	injury (IPS) and will potentially identify different metabolic pathways in other
PR:PROJECT_SUMMARY               	GVHD target organs.
PR:INSTITUTE                     	University of Kentucky
PR:DEPARTMENT                    	Markey Cancer Center, Hematology and Blood and Marrow Transplant
PR:LAST_NAME                     	Hildebrandt
PR:FIRST_NAME                    	Gerhard
PR:ADDRESS                       	Gerhard C. Hildebrandt, MD, Room no. CC401A, Ben Roach Building, Markey Cancer
PR:ADDRESS                       	Center University of Kentucky, Lexington, 40536
PR:EMAIL                         	gerhard.hildebrandt@uky.edu
PR:PHONE                         	800-333-8874
#STUDY
ST:STUDY_TITLE                   	Metabolomics of lung injury after allogeneic hematopoietic cell transplantation
ST:STUDY_TITLE                   	- Plasma NMR HSQC
ST:STUDY_TYPE                    	preliminary data
ST:STUDY_SUMMARY                 	Allogeneic hematopoietic cell transplantation (allo-HCT) is a potentially
ST:STUDY_SUMMARY                 	curative treatment option for a variety of hematological malignancies.
ST:STUDY_SUMMARY                 	Interactions between the donor immune system and the patient tissue result in a
ST:STUDY_SUMMARY                 	disease, called GVHD. The pathophysiology of acute GVHD can be hypothesized in
ST:STUDY_SUMMARY                 	three sequential phases: cytokine storm and activation of the antigen-presenting
ST:STUDY_SUMMARY                 	cells (APC), donor T cell activation and effector cell phase. Idiopathic
ST:STUDY_SUMMARY                 	pneumonia syndrome (IPS) is one of the most deleterious complications after
ST:STUDY_SUMMARY                 	allogeneic HCT and is considered not only to be related to conditioning regimen
ST:STUDY_SUMMARY                 	toxicity but also represents an end organ damage caused by allo-reactive T
ST:STUDY_SUMMARY                 	cells, therefore making the lung susceptible to a two-pronged attack, one of
ST:STUDY_SUMMARY                 	which overlaps with GVHD causing other target organ injury. IPS results in
ST:STUDY_SUMMARY                 	mortality of up to 90% of patients. We will use a murine model of IPS and GVHD
ST:STUDY_SUMMARY                 	which is well established in our group, and in which disease evolves either
ST:STUDY_SUMMARY                 	across disparities in major histocompatibility complex (MCH) class I and II,
ST:STUDY_SUMMARY                 	minor histocompatibility antigens (miHags) or both. Metabolomics changes
ST:STUDY_SUMMARY                 	following syngeneic and allogeneic HCT at post-transplantation Days +7 (cytokine
ST:STUDY_SUMMARY                 	storm phase) and Days +42 (cellular effector phase) are compared to baseline
ST:STUDY_SUMMARY                 	wild-type (naive) controls. Prior to analysis, naïve - and experimental mice
ST:STUDY_SUMMARY                 	(N=3 from each group) were fed with semi-liquid diet supplemented with tracers
ST:STUDY_SUMMARY                 	(13C6-glucose ) over 24 hours. At the end of 7 days or 42 days, respectively,
ST:STUDY_SUMMARY                 	feces and aGVHD target organs (colon, liver and lung) were collected from all
ST:STUDY_SUMMARY                 	groups and further processed and / or analyzed. We expect to reveal metabolic
ST:STUDY_SUMMARY                 	pathways affected after allo-HCT which contribute to immune cell mediated lung
ST:STUDY_SUMMARY                 	injury (IPS) and will potentially identify different metabolic pathways in other
ST:STUDY_SUMMARY                 	GVHD target organs.
ST:INSTITUTE                     	University of Kentucky
ST:DEPARTMENT                    	MCC
ST:LAST_NAME                     	Hildebrandt
ST:FIRST_NAME                    	Gerhard
ST:ADDRESS                       	CTW-453, 900 South Limestone street. UKY. Lexington, Kentucky-40536
ST:EMAIL                         	gerhard.hildebrandt@uky.edu
ST:PHONE                         	800-333-8874
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
#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           	-	03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A	Treatment Protocol:naive	lineage_1=03_A2_naive_0days_UKy_GCH_rep3; protocol.id=['naive']; replicate=3; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=-; lineage_2=03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3; protocol.id=['mouse_tissue_collection']; lineage_3=03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A; protocol.id=['acetone_extraction', 'NMR_file_storage78']; replicate=1; weight=0.04600000000000004; weight%units=g; RAW_FILE_NAME=03_A2_13C6-Glc_UKy_GCH_Ms_plasma_gHSQCAD_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A	Treatment Protocol:naive	lineage_1=01_A0_naive_0days_UKy_GCH_rep1; protocol.id=['naive']; replicate=1; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=-; lineage_2=01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1; protocol.id=['mouse_tissue_collection']; lineage_3=01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A; protocol.id=['acetone_extraction', 'NMR_file_storage76']; replicate=1; weight=0.04800000000000004; weight%units=g; RAW_FILE_NAME=01_A0_13C6-Glc_UKy_GCH_Ms_plasma_gHSQCAD_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A	Treatment Protocol:allogenic	lineage_1=08_C1-2_allogenic_42days_UKy_GCH_rep2; protocol.id=['allogenic']; replicate=2; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=42; lineage_2=08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2; protocol.id=['mouse_tissue_collection']; lineage_3=08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A; protocol.id=['acetone_extraction', 'NMR_file_storage83']; replicate=1; weight=0.04400000000000004; weight%units=g; RAW_FILE_NAME=08_C1-2_13C6-Glc_UKy_GCH_Ms_plasma_gHSQCAD_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A	Treatment Protocol:allogenic	lineage_1=15_C1-20_allogenic_7days_UKy_GCH_rep3; protocol.id=['allogenic']; replicate=3; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=7; lineage_2=15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3; protocol.id=['mouse_tissue_collection']; lineage_3=15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A; protocol.id=['acetone_extraction', 'NMR_file_storage90']; replicate=1; weight=0.04600000000000004; weight%units=g; RAW_FILE_NAME=15_C1-20_13C6-Glc_UKy_GCH_Ms_plasma_gHSQCAD_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A	Treatment Protocol:syngenic	lineage_1=11_B1-1_syngenic_7days_UKy_GCH_rep2; protocol.id=['syngenic']; replicate=2; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=7; lineage_2=11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2; protocol.id=['mouse_tissue_collection']; lineage_3=11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A; protocol.id=['acetone_extraction', 'NMR_file_storage86']; replicate=1; weight=0.04800000000000004; weight%units=g; RAW_FILE_NAME=11_B1-1_13C6-Glc_UKy_GCH_Ms_plasma_gHSQCAD_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A	Treatment Protocol:allogenic	lineage_1=14_C1-2_allogenic_7days_UKy_GCH_rep2; protocol.id=['allogenic']; replicate=2; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=7; lineage_2=14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2; protocol.id=['mouse_tissue_collection']; lineage_3=14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A; protocol.id=['acetone_extraction', 'NMR_file_storage89']; replicate=1; weight=0.04499999999999993; weight%units=g; RAW_FILE_NAME=14_C1-2_13C6-Glc_UKy_GCH_Ms_plasma_gHSQCAD_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A	Treatment Protocol:syngenic	lineage_1=12_B1-2_syngenic_7days_UKy_GCH_rep3; protocol.id=['syngenic']; replicate=3; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=7; lineage_2=12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3; protocol.id=['mouse_tissue_collection']; lineage_3=12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A; protocol.id=['acetone_extraction', 'NMR_file_storage87']; replicate=1; weight=0.04400000000000004; weight%units=g; RAW_FILE_NAME=12_B1-2_13C6-Glc_UKy_GCH_Ms_plasma_gHSQCAD_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A	Treatment Protocol:syngenic	lineage_1=05_B1_syngenic_42days_UKy_GCH_rep2; protocol.id=['syngenic']; replicate=2; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=42; lineage_2=05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2; protocol.id=['mouse_tissue_collection']; lineage_3=05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A; protocol.id=['acetone_extraction', 'NMR_file_storage80']; replicate=1; weight=0.040999999999999925; weight%units=g; RAW_FILE_NAME=05_B1_13C6-Glc_UKy_GCH_Ms_plasma_gHSQCAD_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A	Treatment Protocol:allogenic	lineage_1=07_C1-1_allogenic_42days_UKy_GCH_rep1; protocol.id=['allogenic']; replicate=1; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=42; lineage_2=07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1; protocol.id=['mouse_tissue_collection']; lineage_3=07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A; protocol.id=['acetone_extraction', 'NMR_file_storage82']; replicate=1; weight=0.040000000000000036; weight%units=g; RAW_FILE_NAME=07_C1-1_13C6-Glc_UKy_GCH_Ms_plasma_gHSQCAD_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A	Treatment Protocol:naive	lineage_1=02_A1_naive_0days_UKy_GCH_rep2; protocol.id=['naive']; replicate=2; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=-; lineage_2=02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2; protocol.id=['mouse_tissue_collection']; lineage_3=02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A; protocol.id=['acetone_extraction', 'NMR_file_storage77']; replicate=1; weight=0.04600000000000004; weight%units=g; RAW_FILE_NAME=02_A1_13C6-Glc_UKy_GCH_Ms_plasma_gHSQCAD_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A	Treatment Protocol:syngenic	lineage_1=06_B2_syngenic_42days_UKy_GCH_rep3; protocol.id=['syngenic']; replicate=3; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=42; lineage_2=06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3; protocol.id=['mouse_tissue_collection']; lineage_3=06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A; protocol.id=['acetone_extraction', 'NMR_file_storage81']; replicate=1; weight=0.04800000000000004; weight%units=g; RAW_FILE_NAME=06_B2_13C6-Glc_UKy_GCH_Ms_plasma_gHSQCAD_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A	Treatment Protocol:allogenic	lineage_1=13_C1-1_allogenic_7days_UKy_GCH_rep1; protocol.id=['allogenic']; replicate=1; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=7; lineage_2=13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1; protocol.id=['mouse_tissue_collection']; lineage_3=13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A; protocol.id=['acetone_extraction', 'NMR_file_storage88']; replicate=1; weight=0.04800000000000004; weight%units=g; RAW_FILE_NAME=13_C1-1_13C6-Glc_UKy_GCH_Ms_plasma_gHSQCAD_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A	Treatment Protocol:syngenic	lineage_1=04_B0_syngenic_42days_UKy_GCH_rep1; protocol.id=['syngenic']; replicate=1; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=42; lineage_2=04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1; protocol.id=['mouse_tissue_collection']; lineage_3=04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A; protocol.id=['acetone_extraction', 'NMR_file_storage79']; replicate=1; weight=0.04800000000000004; weight%units=g; RAW_FILE_NAME=04_B0_13C6-Glc_UKy_GCH_Ms_plasma_gHSQCAD_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A	Treatment Protocol:syngenic	lineage_1=10_B1-0_syngenic_7days_UKy_GCH_rep1; protocol.id=['syngenic']; replicate=1; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=7; lineage_2=10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1; protocol.id=['mouse_tissue_collection']; lineage_3=10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A; protocol.id=['acetone_extraction', 'NMR_file_storage85']; replicate=1; weight=0.04800000000000004; weight%units=g; RAW_FILE_NAME=10_B1-0_13C6-Glc_UKy_GCH_Ms_plasma_gHSQCAD_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A	Treatment Protocol:allogenic	lineage_1=09_C2-0_allogenic_42days_UKy_GCH_rep1; protocol.id=['allogenic']; replicate=1; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=42; lineage_2=09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1; protocol.id=['mouse_tissue_collection']; lineage_3=09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A; protocol.id=['acetone_extraction', 'NMR_file_storage84']; replicate=1; weight=0.04499999999999993; weight%units=g; RAW_FILE_NAME=09_C2-0_13C6-Glc_UKy_GCH_Ms_plasma_gHSQCAD_01.fid/fid
#COLLECTION
CO:COLLECTION_SUMMARY            	Mouse is sacrificed and tissues are harvested.
CO:COLLECTION_PROTOCOL_ID        	mouse_tissue_collection
CO:SAMPLE_TYPE                   	Multiple tissues
#TREATMENT
TR:TREATMENT_SUMMARY             	Mouse with allogenic bone marrow transplant. Fed with semi-liquid diet
TR:TREATMENT_SUMMARY             	supplemented with fully labeled glucose for 24 hours before harvest. Mouse with
TR:TREATMENT_SUMMARY             	no treatment. Fed with semi-liquid diet supplemented with fully labeled glucose
TR:TREATMENT_SUMMARY             	for 24 hours before harvest. Mouse with syngenic bone marrow transplant. Fed
TR:TREATMENT_SUMMARY             	with semi-liquid diet supplemented with fully labeled glucose for 24 hours
TR:TREATMENT_SUMMARY             	before harvest.
TR:TREATMENT_PROTOCOL_ID         	allogenic naive syngenic
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	acetone extraction of polar metabolites
SP:SAMPLEPREP_PROTOCOL_ID        	acetone_extraction
SP:SAMPLEPREP_PROTOCOL_FILENAME  	4A2_Media_Extraction_with_acetone_ppt_step.pdf
#ANALYSIS
AN:ANALYSIS_TYPE                 	NMR
#NMR
NM:INSTRUMENT_NAME               	Agilent 600
NM:INSTRUMENT_TYPE               	Agilent 600
NM:NMR_EXPERIMENT_TYPE           	HC-HSQC
NM:STANDARD_CONCENTRATION        	0.5 mM
NM:SPECTROMETER_FREQUENCY        	600 MHz
NM:NMR_PROBE                     	cryogenic triple resonance HCN
NM:NMR_SOLVENT                   	D20
NM:NMR_TUBE_SIZE                 	1.7 mm
NM:SHIMMING_METHOD               	gradient shimming
NM:PULSE_SEQUENCE                	gHSQCAD
NM:WATER_SUPPRESSION             	presaturation
NM:CHEMICAL_SHIFT_REF_CPD        	DSS
NM:TEMPERATURE                   	15 celsius
NM:ACQUISITION_TIME              	2 s
NM:RELAXATION_DELAY              	4 s
NM:BASELINE_CORRECTION_METHOD    	Bernstein Polynomial
#NMR_METABOLITE_DATA
NMR_METABOLITE_DATA:UNITS	normalized peak area
NMR_METABOLITE_DATA_START
Samples	03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A	01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A	08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A	15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A	11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A	14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A	12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A	05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A	07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A	02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A	06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A	13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A	04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A	10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A	09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A
Factors	Treatment Protocol:naive	Treatment Protocol:naive	Treatment Protocol:allogenic	Treatment Protocol:allogenic	Treatment Protocol:syngenic	Treatment Protocol:allogenic	Treatment Protocol:syngenic	Treatment Protocol:syngenic	Treatment Protocol:allogenic	Treatment Protocol:naive	Treatment Protocol:syngenic	Treatment Protocol:allogenic	Treatment Protocol:syngenic	Treatment Protocol:syngenic	Treatment Protocol:allogenic
Ace-2_1	100.8201087664254	52.83761096793818	40.6659777347575	100.1399844045047	79.66351602177345	53.43127572234041	106.9070765574582	58.92717192293037	81.77015952319611	91.98371610936182	90.49551480369911	64.9482519911704	43.86938982302008	67.17774055289833	59.73806739304691
Ala-3_1	151.8027264309124	92.03258716189144	56.2312437125672	172.2945810077037	81.7347861268522	132.2999481850961	175.218704778497	79.00585515378529	131.0515439825439	151.4507713429805	179.7754442006164	87.33730201373567	64.69217670390636	78.50602037628788	67.58846135684328
Ala-3_2	213.1713010153903	109.7188887271924	73.37709499212603	270.4522472663208	119.3423604388195	184.1962391859036	274.5918432075765	114.3834013756251	159.120650360648	183.2415019775704	275.2877279879605	140.074450271484	90.13643475104062	118.2366260662303	106.5751922823111
Gln-4_1	38.00922484068135	49.54441775071955	30.10380675514366	64.42611364742585	49.42329064406866	37.18809214622392	93.42341593955543	76.01933990684839	26.03997242110747	85.78640751329227	43.03207589348106	66.16528882066737	35.7835759345346	17.59095156166272	57.68744136387281
Gln-4_2	37.70341222590475			78.40413360312475		126.9499081957069	37.16811721444771				42.04238721106331				
Lac-2_1	108.8513255673953	62.30758023806118	63.84463894794121	103.5092684454822	81.46736484597604	67.28606605081656	171.593470009608	62.88531221526225	186.7372141292783	164.2293323109604	102.4059886750013	67.80822003637111	44.5569375695102	65.2683648704002	84.05237694128012
Lac-2_2	878.9078569814058	437.1275173410277	386.9698904656373	811.0867597879143	751.2874695903469	484.9773058414187	856.2286440650548	465.9039770928527	748.9138923828694	752.1247498855697	794.2585000374072	543.3159047703592	331.9091809420145	579.1106624835204	593.3154089433547
Lac-2_3	1070.355145233104	494.3334160189465	519.1569299270071	1148.880528123826	851.05490993947	488.5918796714789	1126.495382070929	555.079503433002	867.6776977314404	832.2195053123172	1112.950947179341	701.0230968452855	439.4068710663242	739.4415600998068	628.0462178914999
Lac-2_4	179.4870560416796	53.11172910355884	76.32027649604224	206.2165221911551	149.512055533486	131.8283493490456	196.8466612975017	102.5710388381257	131.6052561568088	148.8679574655048	166.2393021736268	138.5314636614531	68.15051241329027	131.3257285479666	78.93551394713703
Lac-3_1	2928.646666108012	1467.08750372022	1188.693553060743	2918.780612845739	2034.217510808695	1517.031930154102	3086.257929364682	1486.856870136752	2760.013377193176	2727.543044532129	2735.391583860854	1919.128210652967	1125.242543475203	1882.614125681136	1887.924630439727
Lac-3_2	2642.906840386755	1111.905486544938	1084.119047512084	2724.20370922661	2246.155149211948	1368.793566153917	2647.630677823825	1297.710349700061	1870.066366120353	2017.299517024448	2661.484235795906	1723.068877663292	1012.684011803461	1676.265590801896	1331.522298893839
P-Cho A_1	30.92645416839551	12.09554179985331	32.53139975358039	19.69255894868903	25.1328813995504	18.2262051861406	29.18422027676276	26.29816353697321	38.71390846150442	32.93473257817816	22.51051518482278	17.66322219438507	18.00836490227085	21.38833553202416	29.69120939244021
Ser-3_1	1313.991806685367	420.1083571264157	941.2946523603424	1063.465462759536	538.7327350755991	946.3119232573631	1084.757141527054	950.3611103252757	980.3171031533047	1176.351099396876	1162.810061503965	846.2373482705755	527.0140060319735	660.9256118893857	908.7836355288524
aGlc_1	5632.376074548992	1751.020615820034	4023.567340293707	4378.348275179809	2365.796748631406	3798.853182493267	4495.974332049008	4182.948346582943	4267.285410960739	4838.935555921545	4589.188472024749	3608.063138188364	2241.846344242015	2784.090938115127	3615.806240527452
bGlc_1	2327.545109981159	732.6398109854417	1684.758926168976	1581.857097451121	870.3339783354127	1497.753125196355	1811.925166630805	1602.000371679825	2030.198585394297	2237.192724966842	1791.15914582588	1229.650588270947	942.2445700582394	1137.166978012057	1616.688107426535
bGlc_2	2726.61524077182	927.3667046396674	1924.376298194547	2410.726730326167	1358.216064357413	1992.358402822429	2273.847911117872	2103.876852626951	1945.141826654885	2373.866275358534	2373.516404613341	1789.951467894144	1073.203514602562	1428.785468648436	1770.923991696687
pyruvate-3_1	38.17843613996693	20.29424285481726	22.27838404867085	44.15245436165993	30.07590581735458	36.9732642093873	33.87628939445734	21.04570330640949	33.15549866801023	37.3968051279306	42.55702805891423	33.11678812212205	16.52026990934072	20.72538482601871	21.62047908413488
NMR_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	base_inchi	isotopic_inchi	peak_description	peak_pattern	proton_count	representative_inchi	transient_peak	transient_peak%type
Ace-2_1	InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1	InChI=1/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1/i1+1H3/fC2H3O2/q-1	['[1H5', '1H6', '1H7:13C1]HResonance']		3	InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1	1	integer
Ala-3_1	InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1	InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1+1H3,2H/f/h4H	['[1H7', '1H8', '1H9:13C1]HResonance + [1H7', '1H8', '1H9:1H10]J3HH']		3	InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/f/h4H	1	integer
Ala-3_2	InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1	InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1+1H3,2H/f/h4H	['[1H7', '1H8', '1H9:13C1]HResonance + [1H7', '1H8', '1H9:1H10]J3HH']		3	InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/f/h4H	2	integer
Gln-4_1	InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,2H2/f/h6-8H/b7-4+	['[1H13', '1H14:C2]HResonance + [1H13', '1H14:1H11', '1H12]J3HH']		2	InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+	1	integer
Gln-4_2	InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,2H2/f/h6-8H/b7-4+	['[1H13', '1H14:C2]HResonance + [1H13', '1H14:1H11', '1H12]J3HH']		2	InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+	2	integer
Lac-2_1	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1H3,2+1H/fC3H5O3/q-1	['[1H10:13C2]HResonance + [1H10:1H7', '1H8', '1H9]J3HH']		1	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	1	integer
Lac-2_2	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1H3,2+1H/fC3H5O3/q-1	['[1H10:13C2]HResonance + [1H10:1H7', '1H8', '1H9]J3HH']		1	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	2	integer
Lac-2_3	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1H3,2+1H/fC3H5O3/q-1	['[1H10:13C2]HResonance + [1H10:1H7', '1H8', '1H9]J3HH']		1	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	3	integer
Lac-2_4	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1H3,2+1H/fC3H5O3/q-1	['[1H10:13C2]HResonance + [1H10:1H7', '1H8', '1H9]J3HH']		1	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	4	integer
Lac-3_1	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1+1H3,2H/fC3H5O3/q-1	['[1H7', '1H8', '1H9:13C1]HResonance + [1H7', '1H8', '1H9:1H10]J3HH']		3	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	1	integer
Lac-3_2	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1+1H3,2H/fC3H5O3/q-1	['[1H7', '1H8', '1H9:13C1]HResonance + [1H7', '1H8', '1H9:1H10]J3HH']		3	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	2	integer
P-Cho A_1	InChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p-1	InChI=1/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p-1/i1+1H3,2+1H3,3+1H3/fC5H13NO4P/q-1	['[1H12', '1H13', '1H14:13C1+1H15', '1H16', '1H17:13C2+1H18', '1H19', '1H20:13C3]Hresonance']		9	InChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p-1	1	integer
Ser-3_1	InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1	InChI=1/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1/i1+1H2,2H/f/h4H	['[1H8', '1H9:13C1]HResonance + [1H8:1H9]J2HH + [1H8', '1H9:1H10]J3HH']		2	InChI=1/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1/f/h4H	1	integer
aGlc_1	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1/i5H,6+1H	[1H19:13C6]HResonance + [1H19:1H18]J3HH		0.35	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1	1	integer
bGlc_1	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1/i5H,6+1H	[1H19:13C6]HResonance + [1H19:1H18]J3HH		0.65	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1	1	integer
bGlc_2	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1/i5H,6+1H	[1H19:13C6]HResonance + [1H19:1H18]J3HH		0.65	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1	2	integer
pyruvate-3_1	InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)/p-1	InChI=1/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)/p-1/i1+1H3/fC3H3O3/q-1	['[1H7', '1H8', '1H9:13C1]HResonance']		3	InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)/p-1	1	integer
METABOLITES_END
EXTENDED_NMR_METABOLITE_DATA_START
metabolite_name	chemical_shift	peak_area	peak_height	peak_width	sample_id
Ace-2_1	1.903232279492524	158.5128329038145	2.58251197107284	17.10518199102703	01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A
Ace-2_1	1.903557073780793	275.9511483280855	4.345061087646651	17.72789894527634	02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A
Ace-2_1	1.903816812635994	302.4603262992762	5.21977596378033	16.41216477839741	03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A
Ace-2_1	1.90316357887788	131.6081694690602	2.1697852024649	17.07167024227745	04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A
Ace-2_1	1.905124646402408	176.7815157687911	2.947848418951419	16.84745267711866	05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A
Ace-2_1	1.902334272854283	271.4865444110973	4.950683115576753	15.38009292082185	06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A
Ace-2_1	1.903350750172101	245.3104785695884	4.327959006676855	15.85224164120255	07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A
Ace-2_1	1.903960368402699	121.9979332042725	2.283508535824756	15.41064704205404	08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A
Ace-2_1	1.904116164290464	179.2142021791407	3.207544354228557	15.57923442244055	09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A
Ace-2_1	1.903464151995035	201.533221658695	3.465736863866108	16.35673357375097	10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A
Ace-2_1	1.903148592059807	238.9905480653204	4.089031547132601	16.31477964655578	11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A
Ace-2_1	1.903272173120051	320.7212296723747	5.457785054048146	16.33308069980401	12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A
Ace-2_1	1.903267401699774	194.8447559735112	3.443972449291959	15.71959748619606	13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A
Ace-2_1	1.903038184983675	160.2938271670212	2.866379217985803	16.04027963084274	14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A
Ace-2_1	1.903331798198616	300.4199532135141	5.227380343864507	16.34477474884613	15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A
Ala-3_1	1.461842760691255	276.0977614856743	8.217473027835052	9.514114741417457	01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A
Ala-3_1	1.462921225804454	454.3523140289414	13.95180271425092	9.436975985693723	02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A
Ala-3_1	1.462203041738807	455.4081792927372	13.45281801550983	9.47015337330294	03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A
Ala-3_1	1.461534205351712	194.0765301117191	5.96086168902572	9.205271636828025	04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A
Ala-3_1	1.462531861395665	237.0175654613559	7.220327923652834	9.23576544674102	05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A
Ala-3_1	1.461469431333586	539.3263326018491	16.84049194891863	9.10378849788781	06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A
Ala-3_1	1.462368305031912	393.1546319476318	12.08199285757924	9.230968212104946	07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A
Ala-3_1	1.46228271194489	168.6937311377016	4.823651617447392	9.690555093490755	08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A
Ala-3_1	1.462484301516253	202.7653840705298	6.51638871641244	8.924901104058154	09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A
Ala-3_1	1.462300644418918	235.5180611288636	7.468256468013985	8.917048592049253	10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A
Ala-3_1	1.462131930132807	245.2043583805566	7.352316345380536	9.309469826814956	11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A
Ala-3_1	1.462127518301621	525.6561143354909	16.97193822093984	8.894124606116598	12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A
Ala-3_1	1.461624691511586	262.011906041207	7.907054339482125	9.26125030161362	13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A
Ala-3_1	1.461434128076015	396.8998445552884	12.09801495800014	9.1577284213023	14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A
Ala-3_1	1.461595275154082	516.883743023111	16.34617896664055	9.042504728846758	15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A
Ala-3_2	1.474236881663136	329.1566661815773	9.471201437521325	9.824889585333429	01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A
Ala-3_2	1.475178544402713	549.724505932711	15.885183722825	9.876340703574636	02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A
Ala-3_2	1.474757353433637	639.513903046171	17.22977061445699	10.3607559354287	03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A
Ala-3_2	1.473963160664523	270.4093042531219	7.508365456973986	10.08466411139535	04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A
Ala-3_2	1.475039693848906	343.1502041268752	9.459648278765638	10.13247754060285	05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A
Ala-3_2	1.474046262870751	825.8631839638814	22.10367305513526	10.42404377248591	06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A
Ala-3_2	1.474796392421237	477.361951081944	14.13311805849411	9.590017903254212	07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A
Ala-3_2	1.47457220505459	220.1312849763781	6.253448815811701	9.894806615116842	08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A
Ala-3_2	1.47486752073835	319.7255768469332	8.660027534572203	10.28967928246823	09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A
Ala-3_2	1.474834675004153	354.7098781986909	9.884139463018435	10.04093471159328	10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A
Ala-3_2	1.474610976783136	358.0270813164586	10.00676105736699	10.0202226651182	11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A
Ala-3_2	1.474531493395196	823.7755296227296	22.09849500928733	10.40560025370864	12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A
Ala-3_2	1.474000880644085	420.2233508144521	11.29371348377821	10.38638373919904	13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A
Ala-3_2	1.473827196984611	552.5887175577108	15.26112374055099	10.18298860397922	14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A
Ala-3_2	1.474042664053061	811.3567417989624	21.90159468651996	10.34086956085518	15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A
Gln-4_1	2.43854796028891	99.08883550143909	1.541998804571178	24.12416187887036	01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A
Gln-4_1	2.438942478378137	171.5728150265845	2.152313023004996	27.38892991730002	02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A
Gln-4_1	2.432222730356796	76.0184496813627	1.929229799766547	10.71204242746113	03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A
Gln-4_1	2.437214923742728	71.56715186906919	1.048311366774925	25.78029687755581	04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A
Gln-4_1	2.439212376138741	152.0386798136968	1.872825298139752	28.77194954112033	05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A
Gln-4_1	2.431949558824962	86.06415178696211	2.226342219181673	10.24188148034346	06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A
Gln-4_1	2.446570758216387	52.07994484221495	1.425323859488425	9.933314771583209	07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A
Gln-4_1	2.435684067838552	60.20761351028732	0.9003414599024603	25.16863126982954	08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A
Gln-4_1	2.434999810048843	115.3748827277456	1.367174315529025	24.66008350032649	09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A
Gln-4_1	2.446570758216387	35.18190312332544	0.9360627581027965	9.904210309520439	10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A
Gln-4_1	2.438757752656316	98.84658128813732	1.278134927317699	29.48931432308937	11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A
Gln-4_1	2.43225377775489	186.8468318791109	2.576449580082095	17.85178770797587	12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A
Gln-4_1	2.440239205507552	132.3305776413347	1.509487690418785	30.12037236646472	13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A
Gln-4_1	2.431223300974508	74.37618429244785	1.882611030833473	9.725029291906612	14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A
Gln-4_1	2.432002431427257	128.8522272948517	2.653080660984411	11.95526202785329	15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A
Gln-4_2	2.447597978216298	75.4068244518095	1.905178735087597	10.15942533194302	03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A
Gln-4_2	2.447042651569812	84.08477442212663	2.142803943126118	10.16476924331787	06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A
Gln-4_2	2.447873020078575	74.33623442889542	1.721022417614616	10.65993976591412	12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A
Gln-4_2	2.445685840825656	253.8998163914139	3.251435262176575	19.22227997365414	14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A
Gln-4_2	2.44743050085521	156.8082672062495	2.988399355069451	12.9165920939809	15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A
Lac-2_1	4.08246887528971	62.30758023806118	2.902073783853842	6.795612717300675	01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A
Lac-2_1	4.083987196847397	164.2293323109604	5.771274088345342	8.161981532752288	02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A
Lac-2_1	4.083060502937587	108.8513255673953	5.966953673317636	5.950208223584546	03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A
Lac-2_1	4.082504808143421	44.5569375695102	2.359664504019019	6.280652592671055	04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A
Lac-2_1	4.08352271134408	62.88531221526225	2.984181191099085	6.584822558754222	05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A
Lac-2_1	4.082557689026732	102.4059886750013	5.668367069576829	5.890618988757266	06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A
Lac-2_1	4.083847173575675	186.7372141292783	6.668126648389009	8.052321422281684	07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A
Lac-2_1	4.083130271402697	63.84463894794121	2.897935893873468	6.684051650107925	08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A
Lac-2_1	4.083430820528457	84.05237694128012	3.720822144362214	6.812058269101033	09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A
Lac-2_1	4.083416739710169	65.2683648704002	3.718645712691106	5.657287444188957	10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A
Lac-2_1	4.082981216636381	81.46736484597604	4.306891265894744	6.031272914338691	11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A
Lac-2_1	4.083426983378567	171.593470009608	7.388502845547892	7.028913952301474	12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A
Lac-2_1	4.082793418863436	67.80822003637111	3.691772631654012	5.9202182176105	13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A
Lac-2_1	4.082147319939691	67.28606605081656	3.185998581067572	6.535320743248156	14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A
Lac-2_1	4.0826384402314	103.5092684454822	5.772797122579285	5.91893419967534	15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A
Lac-2_2	4.09550116440942	437.1275173410277	12.74152247077656	9.528995369414673	01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A
Lac-2_2	4.096667404493718	752.1247498855697	21.82845729583983	9.622816098505107	02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A
Lac-2_2	4.095967089484043	878.9078569814058	26.6597457642824	9.17737174716837	03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A
Lac-2_2	4.095221758090913	331.9091809420145	10.27234249564634	9.019256186806277	04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A
Lac-2_2	4.096234493341082	465.9039770928527	13.72293968060542	9.228138597146492	05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A
Lac-2_2	4.095216202972286	794.2585000374072	25.1489086215854	8.815839539226534	06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A
Lac-2_2	4.096386382467993	748.9138923828694	23.52173273582144	8.895511009730095	07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A
Lac-2_2	4.095944935836611	386.9698904656373	11.71433095204621	9.09157152268297	08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A
Lac-2_2	4.096387484967281	593.3154089433547	16.97093320076165	9.566410644379957	09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A
Lac-2_2	4.095983299688131	579.1106624835204	17.8558508738999	9.013291359812353	10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A
Lac-2_2	4.095871381251039	751.2874695903469	21.98056118060182	9.437151779825985	11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A
Lac-2_2	4.095950844119619	856.2286440650548	27.4984267046582	8.822798698641567	12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A
Lac-2_2	4.095298479329339	543.3159047703592	17.21885881356167	8.807831585688584	13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A
Lac-2_2	4.095151398997118	484.9773058414187	14.44159859655567	9.348664446333977	14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A
Lac-2_2	4.095324634987186	811.0867597879143	25.37895118378569	8.926810956739388	15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A
Lac-2_3	4.108539009082199	494.3334160189465	13.57121257387714	10.13166322314025	01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A
Lac-2_3	4.109432849661427	832.2195053123172	23.04049457522989	10.08217579363376	02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A
Lac-2_3	4.109064539209708	1070.355145233104	29.63502809275538	10.05041000028093	03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A
Lac-2_3	4.108270069051771	439.4068710663242	11.83050312547915	10.14495584649868	04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A
Lac-2_3	4.109270069051772	555.079503433002	15.21123519263626	10.01233188366002	05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A
Lac-2_3	4.108270069051771	1112.950947179341	29.6986620929888	10.26054954110762	06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A
Lac-2_3	4.109150444684392	867.6776977314404	25.21611741054846	9.59182508756662	07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A
Lac-2_3	4.108997830376317	519.1569299270071	13.6931763742498	10.37231117187638	08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A
Lac-2_3	4.10952057633288	628.0462178914999	17.53303043830825	9.839157214966207	09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A
Lac-2_3	4.108987301708442	739.4415600998068	20.27231339005604	9.999960697681615	10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A
Lac-2_3	4.108953405708613	851.05490993947	24.11151820467663	9.716845164324727	11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A
Lac-2_3	4.108740735103548	1126.495382070929	31.21834120937801	10.02950004631451	12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A
Lac-2_3	4.10830352532903	701.0230968452855	19.94136669789847	9.812922202116702	13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A
Lac-2_3	4.108099379120794	488.5918796714789	15.02500673611402	9.127697432154616	14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A
Lac-2_3	4.108270069051771	1148.880528123826	30.17969411947579	10.43895358985142	15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A
Lac-2_4	4.121503600966115	53.11172910355884	2.833919843440774	6.552584745317789	01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A
Lac-2_4	4.121965267280893	148.8679574655048	5.795025873672135	7.673989153666458	02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A
Lac-2_4	4.122034087461074	179.4870560416796	7.400421476967919	7.48084989892805	03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A
Lac-2_4	4.121275862547558	68.15051241329027	2.803171476059632	7.323842375793108	04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A
Lac-2_4	4.122108997204106	102.5710388381257	3.865490000191348	7.71914897415173	05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A
Lac-2_4	4.121360078516255	166.2393021736268	7.012130875835382	7.069999201304935	06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A
Lac-2_4	4.121825078884127	131.6052561568088	5.903634557935645	6.85123489194048	07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A
Lac-2_4	4.12205912871471	76.32027649604224	3.11716349062621	7.153690868213063	08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A
Lac-2_4	4.122241434049276	78.93551394713703	3.860763721521563	6.436069096437853	09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A
Lac-2_4	4.121943349270282	131.3257285479666	5.126663817516921	7.580462875481696	10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A
Lac-2_4	4.121950528122645	149.512055533486	6.228040393720058	7.286845796097226	11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A
Lac-2_4	4.121516192441523	196.8466612975017	7.719283013995363	7.593651368910515	12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A
Lac-2_4	4.121366999098914	138.5314636614531	5.376214270031091	7.764650448143169	13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A
Lac-2_4	4.120698088534482	131.8283493490456	4.45168239621296	8.319855890496994	14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A
Lac-2_4	4.12128019138037	206.2165221911551	7.601454635872086	7.781141822689547	15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A
Lac-3_1	1.311966658983492	4401.262511160659	143.9174985226263	9.501601870535021	01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A
Lac-3_1	1.312839787974088	8182.629133596385	251.2707144791943	9.893740809844864	02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A
Lac-3_1	1.312580639859804	8785.939998324036	303.3577752945228	9.124508413272311	03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A
Lac-3_1	1.311796983707262	3375.727630425609	116.6922520977254	9.0444519896835	04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A
Lac-3_1	1.312941137346327	4460.570610410257	155.9547387707322	9.013906546666478	05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A
Lac-3_1	1.31192062864934	8206.174751582561	293.6812711289438	8.805004248346206	06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A
Lac-3_1	1.312508568196171	8280.040131579526	269.5511055289392	9.465848422926415	07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A
Lac-3_1	1.312179206998774	3566.080659182228	126.8729208682881	8.968059790376447	08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A
Lac-3_1	1.312891193368491	5663.773891319182	188.9440021867329	9.348323585814176	09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A
Lac-3_1	1.3124849265055	5647.842377043407	200.8340826271535	8.879549273245027	10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A
Lac-3_1	1.312018618690785	6102.652532426085	232.4230267821397	8.637286698724628	11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A
Lac-3_1	1.312389385552439	9258.773788094046	322.2977225066184	9.285172062015924	12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A
Lac-3_1	1.312190354807583	5757.3846319589	200.1013623375402	9.062298924367276	13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A
Lac-3_1	1.311489932659835	4551.095790462307	160.0696368238744	8.913351092271114	14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A
Lac-3_1	1.312175591782533	8756.341838537217	302.8331171737314	9.092000696897669	15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A
Lac-3_2	1.323774895270416	3335.716459634815	119.8099983360312	8.70468273358127	01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A
Lac-3_2	1.32462186825818	6051.898551073345	205.8734430965134	9.039307298282257	02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A
Lac-3_2	1.324292882436715	7928.720521160265	279.2787698700532	8.855353581674398	03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A
Lac-3_2	1.323521102470323	3038.052035410383	106.9814972965802	8.824527549356382	04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A
Lac-3_2	1.324583798386551	3893.131049100183	140.6810492689373	8.848998588910252	05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A
Lac-3_2	1.323650620605397	7984.452707387716	279.0584200838082	8.82801224929113	06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A
Lac-3_2	1.324396304921576	5610.199098361059	212.2123157214253	8.231591796064606	07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A
Lac-3_2	1.324026750096216	3252.357142536252	116.5456573984122	8.994819448300321	08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A
Lac-3_2	1.324697497080344	3994.566896681516	152.2309800302905	8.304470504662644	09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A
Lac-3_2	1.324273639537835	5028.796772405688	183.1194026426022	8.68797245606258	10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A
Lac-3_2	1.323856129033112	6738.465447635846	229.3921227667931	9.365695425523963	11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A
Lac-3_2	1.32422303722618	7942.892033471475	284.9127427308274	8.950074349674873	12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A
Lac-3_2	1.323893270812659	5169.206632989876	182.9707002901733	8.638584476809394	13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A
Lac-3_2	1.323303662198439	4106.380698461749	147.1146284509831	8.981270243664454	14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A
Lac-3_2	1.323874281615337	8172.611127679828	282.053198764393	8.914999762749787	15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A
P-Cho A_1	3.217273294348515	108.8598761986798	3.242978043721289	9.370111873747774	01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A
P-Cho A_1	3.218107966144454	296.4125932036034	8.439221780524155	9.97002207121615	02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A
P-Cho A_1	3.217873867550203	278.3380875155596	8.950289580489851	8.919738714911993	03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A
P-Cho A_1	3.217429704989834	162.0752841204377	4.836681993970963	9.611382000051167	04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A
P-Cho A_1	3.218089447334552	236.6834718327589	7.629434005888461	8.897995693918975	05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A
P-Cho A_1	3.217055846618072	202.594636663405	7.111770483956231	8.562159847935309	06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A
P-Cho A_1	3.218205620492863	348.4251761535398	9.961213947221587	9.763785024089081	07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A
P-Cho A_1	3.217967288086124	292.7825977822235	8.825172441566387	9.473830923519431	08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A
P-Cho A_1	3.218351700630245	267.2208845319619	7.820084589858036	9.618137455929634	09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A
P-Cho A_1	3.217906445860878	192.4950197882175	6.199034262142717	8.906601921863205	10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A
P-Cho A_1	3.217972849240808	226.1959325959536	6.496951266408752	9.986004627172784	11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A
P-Cho A_1	3.217814854441626	262.6579824908649	8.073380300015902	9.500114996922683	12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A
P-Cho A_1	3.217272818352721	158.9689997494656	5.823090704255451	8.423651751451812	13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A
P-Cho A_1	3.216610335596915	164.0358466752654	5.753681341362305	8.415778104560172	14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A
P-Cho A_1	3.217251464200911	177.2330305382012	6.387714214249455	8.37319311540368	15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A
Ser-3_1	3.837869339123749	420.1083571264157	11.47251871043612	10.37863541918019	01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A
Ser-3_1	3.838622569702427	1176.351099396876	30.49136574565409	10.88230623801742	02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A
Ser-3_1	3.838417951879065	1313.991806685367	36.52810693714042	10.39781789953569	03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A
Ser-3_1	3.837821653559732	527.0140060319735	14.7993864119479	10.19832909120605	04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A
Ser-3_1	3.83879927343331	950.3611103252757	26.10391137515894	10.38817519101887	05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A
Ser-3_1	3.837718777593606	1162.810061503965	31.73562386894475	10.50580994506577	06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A
Ser-3_1	3.838452345314314	980.3171031533047	28.16730459623815	9.979576667483052	07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A
Ser-3_1	3.838034832925456	941.2946523603424	26.05397576810988	10.38907021322105	08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A
Ser-3_1	3.838685966512542	908.7836355288524	24.73804145605073	10.38651003008446	09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A
Ser-3_1	3.838296309717848	660.9256118893857	17.81009263972091	10.49528710303708	10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A
Ser-3_1	3.838141085623902	538.7327350755991	14.93548333060705	10.28350276385553	11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A
Ser-3_1	3.838377612335685	1084.757141527054	29.72235329059864	10.3677765535968	12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A
Ser-3_1	3.837946551009734	846.2373482705755	22.68347049661611	10.54655237442538	13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A
Ser-3_1	3.837741239694924	946.3119232573631	26.1112672215198	10.36218873566574	14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A
Ser-3_1	3.837849926287176	1063.465462759536	29.04944754919717	10.45541198564691	15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A
aGlc_1	5.222414851704863	612.8572155370118	20.26520079031547	9.982874588695251	01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A
aGlc_1	5.223384115176972	1693.627444572541	53.51792756116581	10.20020527515858	02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A
aGlc_1	5.223393784093544	1971.331626092147	62.99542758949954	10.2037820591994	03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A
aGlc_1	5.222504232744622	784.6462204847052	25.36586827739603	10.06163992248775	04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A
aGlc_1	5.223621232790603	1464.03192130403	45.38812229155744	10.52330280172852	05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A
aGlc_1	5.222598817877612	1606.215965208662	52.10279165755635	10.00426343750595	06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A
aGlc_1	5.223092615998287	1493.549893836258	49.1947253583525	9.949633436820859	07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A
aGlc_1	5.223048049979518	1408.248569102797	44.14664169870958	10.22997751511006	08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A
aGlc_1	5.223145140994671	1265.532184184608	42.39170316804105	9.799064905896161	09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A
aGlc_1	5.223372311725812	974.4318283402943	31.54902791091699	10.10822429538026	10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A
aGlc_1	5.2231807676097	828.0288620209919	26.95343581304225	10.07920132234771	11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A
aGlc_1	5.222961193891034	1573.591016217153	51.04288288482835	10.01903616230966	12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A
aGlc_1	5.222678027964141	1262.822098365927	37.83776604564967	10.52330280172852	13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A
aGlc_1	5.222032792170071	1329.598613872643	43.34828773835495	9.886416957822592	14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A
aGlc_1	5.222717487937795	1532.421896312933	48.32662653734872	10.11079639529851	15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A
bGlc_1	4.629829039296166	476.2158771405371	16.74855543368465	8.58319872716342	01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A
bGlc_1	4.630940198993161	1454.175271228448	45.62380440929063	9.437965426548818	02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A
bGlc_1	4.630778664858763	1512.904321487754	51.19822781061942	8.86299175644032	03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A
bGlc_1	4.629793327398859	612.4589705378556	21.08587262085814	8.70119040079377	04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A
bGlc_1	4.630908071089309	1041.300241591887	36.52148951777795	8.624297745446489	05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A
bGlc_1	4.629838292782	1164.253444786822	42.11395848303466	8.547105955518147	06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A
bGlc_1	4.630710760634734	1319.629080506293	43.37437507689473	9.102021248953271	07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A
bGlc_1	4.630555511961667	1095.093302009835	36.54627708852409	8.904454618727495	08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A
bGlc_1	4.63066839341488	1050.847269827248	36.06115801922773	9.00890682942856	09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A
bGlc_1	4.630770783999465	739.1585357078369	25.89013784964636	8.668605410361737	10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A
bGlc_1	4.630282743006862	565.7170859180183	21.20213465763891	8.138714048795569	11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A
bGlc_1	4.63039159804925	1177.751358310024	41.77273620220858	8.814903682434103	12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A
bGlc_1	4.629995683063574	799.2728823761154	29.72624554090421	8.406435761814826	13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A
bGlc_1	4.629494734654884	973.5395313776307	34.91561470439741	8.60475460618855	14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A
bGlc_1	4.629925347140333	1028.207113343228	38.08752420542945	8.320661321761738	15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A
bGlc_2	4.643573804649221	602.7883580157838	18.5721101737312	9.413569285173715	01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A
bGlc_2	4.644777945372669	1543.013078983047	47.39594839717142	9.382017060394285	02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A
bGlc_2	4.644595955514933	1772.299906501683	56.65678275213838	9.116974536652608	03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A
bGlc_2	4.643648586202766	697.5822844916655	22.91805675301545	8.947096934445149	04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A
bGlc_2	4.644728515691605	1367.519954207518	41.77427653979759	9.360999417049152	05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A
bGlc_2	4.64370548828437	1542.785662998672	48.51000960860978	9.18426813817156	06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A
bGlc_2	4.644563198717677	1264.342187325675	43.00364771679936	8.828942090819542	07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A
bGlc_2	4.644362612775629	1250.844593826455	39.97094732071385	9.116335994392797	08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A
bGlc_2	4.644536788368699	1151.100594602847	37.75351581259968	9.09300333833789	09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A
bGlc_2	4.644545831218286	928.7105546214832	29.07534470311705	9.181146371068714	10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A
bGlc_2	4.644075417970865	882.8404418323182	25.57680096986826	9.77486056791053	11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A
bGlc_2	4.644142429895903	1478.001142226617	46.54577855720506	9.277480161731882	12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A
bGlc_2	4.643833086411826	1163.468454131194	34.98499872142369	9.639391280167679	13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A
bGlc_2	4.643291485097819	1295.032961834579	40.50131187795821	9.16525897417959	14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A
bGlc_2	4.643821162076187	1566.972374712009	45.95885782364305	9.795823328993459	15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A
pyruvate-3_1	2.362451655998864	60.88272856445177	2.016603543201332	8.466109381568684	01_A0_Plasma_naive_0days_170427_UKy_GCH_rep1-acetone-NMR_A
pyruvate-3_1	2.363450746813545	112.1904153837918	3.670698171133165	8.667772316397587	02_A1_Plasma_naive_0days_170427_UKy_GCH_rep2-acetone-NMR_A
pyruvate-3_1	2.363169421541103	114.5353084199008	4.270305243094835	7.892477101296387	03_A2_Plasma_naive_0days_170427_UKy_GCH_rep3-acetone-NMR_A
pyruvate-3_1	2.362152509054718	49.56080972802216	1.918384412542362	7.573726400585012	04_B0_Plasma_syngenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A
pyruvate-3_1	2.363498861715696	63.13710991922847	2.373499993128092	7.76870140184093	05_B1_Plasma_syngenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A
pyruvate-3_1	2.362385076814881	127.6710841767427	4.277786134027382	8.330948051368408	06_B2_Plasma_syngenic_42days_170427_UKy_GCH_rep3-acetone-NMR_A
pyruvate-3_1	2.363278247963365	99.4664960040307	3.613353082671882	7.938403128902564	07_C1-1_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A
pyruvate-3_1	2.362940207013207	66.83515214601256	2.583670072278402	7.6297347553459	08_C1-2_Plasma_allogenic_42days_170427_UKy_GCH_rep2-acetone-NMR_A
pyruvate-3_1	2.363289100692197	64.86143725240464	2.404280069687987	7.737810549337819	09_C2-0_Plasma_allogenic_42days_170427_UKy_GCH_rep1-acetone-NMR_A
pyruvate-3_1	2.36313080099571	62.17615447805615	2.68712242602769	7.12109620030917	10_B1-0_Plasma_syngenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A
pyruvate-3_1	2.362762086348654	90.22771745206376	3.367231800023895	7.903300779557881	11_B1-1_Plasma_syngenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A
pyruvate-3_1	2.362770680830141	101.628868183372	3.725256442513435	7.892477101296387	12_B1-2_Plasma_syngenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A
pyruvate-3_1	2.362498861715697	99.35036436636615	3.825934044532396	7.703159109259968	13_C1-1_Plasma_allogenic_7days_170427_UKy_GCH_rep1-acetone-NMR_A
pyruvate-3_1	2.362073184516938	110.9197926281619	3.950494237887421	8.05330592378354	14_C1-2_Plasma_allogenic_7days_170427_UKy_GCH_rep2-acetone-NMR_A
pyruvate-3_1	2.362498861715697	132.4573630849798	4.520867708520555	8.240761499616053	15_C1-20_Plasma_allogenic_7days_170427_UKy_GCH_rep3-acetone-NMR_A
EXTENDED_NMR_METABOLITE_DATA_END
#END