#METABOLOMICS WORKBENCH xpan1020_20220920_073034 DATATRACK_ID:3466 STUDY_ID:ST002313 ANALYSIS_ID:AN003779
VERSION                          	1
CREATED_ON                       	02-08-2024
#PROJECT
PR:PROJECT_TITLE                 	Dietary inclusion of nitrite-containing frankfurter exacerbates colorectal
PR:PROJECT_TITLE                 	cancer pathology, increases oxidative stress, alters metabolism and causes gut
PR:PROJECT_TITLE                 	dybiosis in APCmin mice
PR:PROJECT_SUMMARY               	This study investigated how the colorectal cancer pathology and metabolic status
PR:PROJECT_SUMMARY               	of adenomatous polyposis coli (APC) multiple intestinal neoplasia (min) mice was
PR:PROJECT_SUMMARY               	perturbed following 8 weeks of pork meat consumption.
PR:INSTITUTE                     	Institute for Global Food Security
PR:LAST_NAME                     	Pan
PR:FIRST_NAME                    	Xiaobei
PR:ADDRESS                       	19 Chlorine Gardens, Belfast, Antrim, BT9 5DL, United Kingdom
PR:EMAIL                         	x.pan@qub.ac.uk
PR:PHONE                         	02890975984
PR:DOI                           	http://dx.doi.org/10.21228/M81M72
#STUDY
ST:STUDY_TITLE                   	Dietary inclusion of nitrite-containing frankfurter exacerbates colorectal
ST:STUDY_TITLE                   	cancer pathology, increases oxidative stress, alters metabolism and causes gut
ST:STUDY_TITLE                   	dybiosis in APCmin mice
ST:STUDY_SUMMARY                 	Colorectal cancer (CRC) is the second most prevelant malignancy in Europe and
ST:STUDY_SUMMARY                 	diet is an important modifiable risk factor. Processed meat consumption,
ST:STUDY_SUMMARY                 	including meats with preservative salts such as sodium nitrite, have been
ST:STUDY_SUMMARY                 	implicated in CRC pathogenesis. This study investigated how the CRC pathology
ST:STUDY_SUMMARY                 	and metabolic status of adenomatous polyposis coli (APC) multiple intestinal
ST:STUDY_SUMMARY                 	neoplasia (min) mice was perturbed following 8 weeks of pork meat
ST:STUDY_SUMMARY                 	consumption.Dietary inclusions (15%) of either nitrite-free pork, nitrite-free
ST:STUDY_SUMMARY                 	sausage or nitrite-containing sausage (frankfurter) were compared against a
ST:STUDY_SUMMARY                 	parallel control group (100% chow). Comprehensive studies investigated:
ST:STUDY_SUMMARY                 	gastrointestinal tract histology (tumours, aberant crypt foci (ACF) and mucin
ST:STUDY_SUMMARY                 	deplin foci (MDF), lipid peroxidation (urine and serum), faecal microbiota and
ST:STUDY_SUMMARY                 	serum metabolomics (599 metabolites).
ST:INSTITUTE                     	Institute for Global Food Security
ST:LAST_NAME                     	Pan
ST:FIRST_NAME                    	Xiaobei
ST:ADDRESS                       	19 Chlorine Gardens, Belfast, Antrim, BT9 5DL, United Kingdom
ST:EMAIL                         	x.pan@qub.ac.uk
ST:PHONE                         	02890975984
ST:SUBMIT_DATE                   	2022-09-20
#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]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	M10TP1	Group:Control | Time point:Week 0	RAW_FILE_NAME=MXP500L-0-8111_1008947005_87_0_1_1_00_1008945253.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_87_1_1_1_00_1008945253.raw
SUBJECT_SAMPLE_FACTORS           	-	M1TP1	Group:Control | Time point:Week 0	RAW_FILE_NAME=MXP500L-0-8111_1008947005_74_0_1_1_00_1008945166.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_74_1_1_1_00_1008945166.raw
SUBJECT_SAMPLE_FACTORS           	-	M2TP1	Group:Control | Time point:Week 0	RAW_FILE_NAME=MXP500L-0-8111_1008947005_86_0_1_1_00_1008945171.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_86_1_1_1_00_1008945171.raw
SUBJECT_SAMPLE_FACTORS           	-	M3TP1	Group:Control | Time point:Week 0	RAW_FILE_NAME=MXP500L-0-8111_1008947005_03_0_1_1_00_1008945185.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_03_1_1_1_00_1008945185.raw
SUBJECT_SAMPLE_FACTORS           	-	M4TP1	Group:Control | Time point:Week 0	RAW_FILE_NAME=MXP500L-0-8111_1008947005_15_0_1_1_00_1008945190.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_15_1_1_1_00_1008945190.raw
SUBJECT_SAMPLE_FACTORS           	-	M5TP1	Group:Control | Time point:Week 0	RAW_FILE_NAME=MXP500L-0-8111_1008947005_27_0_1_1_00_1008945201.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_27_1_1_1_00_1008945201.raw
SUBJECT_SAMPLE_FACTORS           	-	M6TP1	Group:Control | Time point:Week 0	RAW_FILE_NAME=MXP500L-0-8111_1008947005_39_0_1_1_00_1008945215.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_39_1_1_1_00_1008945215.raw
SUBJECT_SAMPLE_FACTORS           	-	M7TP1	Group:Control | Time point:Week 0	RAW_FILE_NAME=MXP500L-0-8111_1008947005_51_0_1_1_00_1008945220.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_51_1_1_1_00_1008945220.raw
SUBJECT_SAMPLE_FACTORS           	-	M8TP1	Group:Control | Time point:Week 0	RAW_FILE_NAME=MXP500L-0-8111_1008947005_63_0_1_1_00_1008945234.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_63_1_1_1_00_1008945234.raw
SUBJECT_SAMPLE_FACTORS           	-	M9TP1	Group:Control | Time point:Week 0	RAW_FILE_NAME=MXP500L-0-8111_1008947005_75_0_1_1_00_1008945249.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_75_1_1_1_00_1008945249.raw
SUBJECT_SAMPLE_FACTORS           	-	M10TP2	Group:Control | Time point:Week 8	RAW_FILE_NAME=MXP500L-0-8111_1008947005_09_0_1_1_00_1008945646.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_09_1_1_1_00_1008945646.raw
SUBJECT_SAMPLE_FACTORS           	-	M1TP2	Group:Control | Time point:Week 8	RAW_FILE_NAME=MXP500L-0-8111_1008947005_08_0_1_1_00_1008945563.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_08_1_1_1_00_1008945563.raw
SUBJECT_SAMPLE_FACTORS           	-	M2TP2	Group:Control | Time point:Week 8	RAW_FILE_NAME=MXP500L-0-8111_1008947005_20_0_1_1_00_1008945578.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_20_1_1_1_00_1008945578.raw
SUBJECT_SAMPLE_FACTORS           	-	M3TP2	Group:Control | Time point:Week 8	RAW_FILE_NAME=MXP500L-0-8111_1008947005_32_0_1_1_00_1008945582.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_32_1_1_1_00_1008945582.raw
SUBJECT_SAMPLE_FACTORS           	-	M4TP2	Group:Control | Time point:Week 8	RAW_FILE_NAME=MXP500L-0-8111_1008947005_44_0_1_1_00_1008945597.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_44_1_1_1_00_1008945597.raw
SUBJECT_SAMPLE_FACTORS           	-	M5TP2	Group:Control | Time point:Week 8	RAW_FILE_NAME=MXP500L-0-8111_1008947005_56_0_1_1_00_1008945608.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_56_1_1_1_00_1008945608.raw
SUBJECT_SAMPLE_FACTORS           	-	M7TP2	Group:Control | Time point:Week 8	RAW_FILE_NAME=MXP500L-0-8111_1008947005_68_0_1_1_00_1008945612.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_68_1_1_1_00_1008945612.raw
SUBJECT_SAMPLE_FACTORS           	-	M8TP2	Group:Control | Time point:Week 8	RAW_FILE_NAME=MXP500L-0-8111_1008947005_80_0_1_1_00_1008945627.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_80_1_1_1_00_1008945627.raw
SUBJECT_SAMPLE_FACTORS           	-	M9TP2	Group:Control | Time point:Week 8	RAW_FILE_NAME=MXP500L-0-8111_1008947005_92_0_1_1_00_1008945631.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_92_1_1_1_00_1008945631.raw
SUBJECT_SAMPLE_FACTORS           	-	M31TP1	Group:Frankfurter | Time point:Week 0	RAW_FILE_NAME=MXP500L-0-8111_1008947005_66_0_1_1_00_1008945461.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_66_1_1_1_00_1008945461.raw
SUBJECT_SAMPLE_FACTORS           	-	M32TP1	Group:Frankfurter | Time point:Week 0	RAW_FILE_NAME=MXP500L-0-8111_1008947005_78_0_1_1_00_1008945476.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_78_1_1_1_00_1008945476.raw
SUBJECT_SAMPLE_FACTORS           	-	M33TP1	Group:Frankfurter | Time point:Week 0	RAW_FILE_NAME=MXP500L-0-8111_1008947005_90_0_1_1_00_1008945481.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_90_1_1_1_00_1008945481.raw
SUBJECT_SAMPLE_FACTORS           	-	M34TP1	Group:Frankfurter | Time point:Week 0	RAW_FILE_NAME=MXP500L-0-8111_1008947005_07_0_1_1_00_1008945495.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_07_1_1_1_00_1008945495.raw
SUBJECT_SAMPLE_FACTORS           	-	M35TP1	Group:Frankfurter | Time point:Week 0	RAW_FILE_NAME=MXP500L-0-8111_1008947005_19_0_1_1_00_1008945506.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_19_1_1_1_00_1008945506.raw
SUBJECT_SAMPLE_FACTORS           	-	M36TP1	Group:Frankfurter | Time point:Week 0	RAW_FILE_NAME=MXP500L-0-8111_1008947005_31_0_1_1_00_1008945511.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_31_1_1_1_00_1008945511.raw
SUBJECT_SAMPLE_FACTORS           	-	M37TP1	Group:Frankfurter | Time point:Week 0	RAW_FILE_NAME=MXP500L-0-8111_1008947005_43_0_1_1_00_1008945525.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_43_1_1_1_00_1008945525.raw
SUBJECT_SAMPLE_FACTORS           	-	M38TP1	Group:Frankfurter | Time point:Week 0	RAW_FILE_NAME=MXP500L-0-8111_1008947005_55_0_1_1_00_1008945530.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_55_1_1_1_00_1008945530.raw
SUBJECT_SAMPLE_FACTORS           	-	M39TP1	Group:Frankfurter | Time point:Week 0	RAW_FILE_NAME=MXP500L-0-8111_1008947005_67_0_1_1_00_1008945544.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_67_1_1_1_00_1008945544.raw
SUBJECT_SAMPLE_FACTORS           	-	M40TP1	Group:Frankfurter | Time point:Week 0	RAW_FILE_NAME=MXP500L-0-8111_1008947005_91_0_1_1_00_1008945559.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_91_1_1_1_00_1008945559.raw
SUBJECT_SAMPLE_FACTORS           	-	M31TP2	Group:Frankfurter | Time point:Week 8	RAW_FILE_NAME=MXP500L-0-8111_1008947005_71_0_1_1_00_1008945840.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_71_1_1_1_00_1008945840.raw
SUBJECT_SAMPLE_FACTORS           	-	M32TP2	Group:Frankfurter | Time point:Week 8	RAW_FILE_NAME=MXP500L-0-8111_1008947005_83_0_1_1_00_1008945854.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_83_1_1_1_00_1008945854.raw
SUBJECT_SAMPLE_FACTORS           	-	M33TP2	Group:Frankfurter | Time point:Week 8	RAW_FILE_NAME=MXP500L-0-8111_1008947005_95_0_1_1_00_1008945869.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_95_1_1_1_00_1008945869.raw
SUBJECT_SAMPLE_FACTORS           	-	M34TP2	Group:Frankfurter | Time point:Week 8	RAW_FILE_NAME=MXP500L-0-8111_1008947005_12_0_1_1_00_1008945873.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_12_1_1_1_00_1008945873.raw
SUBJECT_SAMPLE_FACTORS           	-	M35TP2	Group:Frankfurter | Time point:Week 8	RAW_FILE_NAME=MXP500L-0-8111_1008947005_24_0_1_1_00_1008945888.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_24_1_1_1_00_1008945888.raw
SUBJECT_SAMPLE_FACTORS           	-	M36TP2	Group:Frankfurter | Time point:Week 8	RAW_FILE_NAME=MXP500L-0-8111_1008947005_36_0_1_1_00_1008945892.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_36_1_1_1_00_1008945892.raw
SUBJECT_SAMPLE_FACTORS           	-	M37TP2	Group:Frankfurter | Time point:Week 8	RAW_FILE_NAME=MXP500L-0-8111_1008947005_48_0_1_1_00_1008945903.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_48_1_1_1_00_1008945903.raw
SUBJECT_SAMPLE_FACTORS           	-	M38TP2	Group:Frankfurter | Time point:Week 8	RAW_FILE_NAME=MXP500L-0-8111_1008947005_60_0_1_1_00_1008945918.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_60_1_1_1_00_1008945918.raw
SUBJECT_SAMPLE_FACTORS           	-	M39TP2	Group:Frankfurter | Time point:Week 8	RAW_FILE_NAME=MXP500L-0-8111_1008947005_72_0_1_1_00_1008945922.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_72_1_1_1_00_1008945922.raw
SUBJECT_SAMPLE_FACTORS           	-	M40TP2	Group:Frankfurter | Time point:Week 8	RAW_FILE_NAME=MXP500L-0-8111_1008947005_84_0_1_1_00_1008945937.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_84_1_1_1_00_1008945937.raw
SUBJECT_SAMPLE_FACTORS           	-	M11TP1	Group:Pork | Time point:Week 0	RAW_FILE_NAME=MXP500L-0-8111_1008947005_04_0_1_1_00_1008945268.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_04_1_1_1_00_1008945268.raw
SUBJECT_SAMPLE_FACTORS           	-	M12TP1	Group:Pork | Time point:Week 0	RAW_FILE_NAME=MXP500L-0-8111_1008947005_16_0_1_1_00_1008945272.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_16_1_1_1_00_1008945272.raw
SUBJECT_SAMPLE_FACTORS           	-	M13TP1	Group:Pork | Time point:Week 0	RAW_FILE_NAME=MXP500L-0-8111_1008947005_28_0_1_1_00_1008945287.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_28_1_1_1_00_1008945287.raw
SUBJECT_SAMPLE_FACTORS           	-	M14TP1	Group:Pork | Time point:Week 0	RAW_FILE_NAME=MXP500L-0-8111_1008947005_40_0_1_1_00_1008945291.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_40_1_1_1_00_1008945291.raw
SUBJECT_SAMPLE_FACTORS           	-	M15TP1	Group:Pork | Time point:Week 0	RAW_FILE_NAME=MXP500L-0-8111_1008947005_52_0_1_1_00_1008945302.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_52_1_1_1_00_1008945302.raw
SUBJECT_SAMPLE_FACTORS           	-	M16TP1	Group:Pork | Time point:Week 0	RAW_FILE_NAME=MXP500L-0-8111_1008947005_64_0_1_1_00_1008945317.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_64_1_1_1_00_1008945317.raw
SUBJECT_SAMPLE_FACTORS           	-	M17TP1	Group:Pork | Time point:Week 0	RAW_FILE_NAME=MXP500L-0-8111_1008947005_76_0_1_1_00_1008945321.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_76_1_1_1_00_1008945321.raw
SUBJECT_SAMPLE_FACTORS           	-	M18TP1	Group:Pork | Time point:Week 0	RAW_FILE_NAME=MXP500L-0-8111_1008947005_88_0_1_1_00_1008945336.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_88_1_1_1_00_1008945336.raw
SUBJECT_SAMPLE_FACTORS           	-	M19TP1	Group:Pork | Time point:Week 0	RAW_FILE_NAME=MXP500L-0-8111_1008947005_05_0_1_1_00_1008945341.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_05_1_1_1_00_1008945341.raw
SUBJECT_SAMPLE_FACTORS           	-	M20TP1	Group:Pork | Time point:Week 0	RAW_FILE_NAME=MXP500L-0-8111_1008947005_17_0_1_1_00_1008945355.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_17_1_1_1_00_1008945355.raw
SUBJECT_SAMPLE_FACTORS           	-	M11TP2	Group:Pork | Time point:Week 8	RAW_FILE_NAME=MXP500L-0-8111_1008947005_21_0_1_1_00_1008945651.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_21_1_1_1_00_1008945651.raw
SUBJECT_SAMPLE_FACTORS           	-	M12TP2	Group:Pork | Time point:Week 8	RAW_FILE_NAME=MXP500L-0-8111_1008947005_33_0_1_1_00_1008945665.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_33_1_1_1_00_1008945665.raw
SUBJECT_SAMPLE_FACTORS           	-	M13TP2	Group:Pork | Time point:Week 8	RAW_FILE_NAME=MXP500L-0-8111_1008947005_45_0_1_1_00_1008945670.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_45_1_1_1_00_1008945670.raw
SUBJECT_SAMPLE_FACTORS           	-	M14TP2	Group:Pork | Time point:Week 8	RAW_FILE_NAME=MXP500L-0-8111_1008947005_57_0_1_1_00_1008945684.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_57_1_1_1_00_1008945684.raw
SUBJECT_SAMPLE_FACTORS           	-	M15TP2	Group:Pork | Time point:Week 8	RAW_FILE_NAME=MXP500L-0-8111_1008947005_69_0_1_1_00_1008945699.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_69_1_1_1_00_1008945699.raw
SUBJECT_SAMPLE_FACTORS           	-	M16TP2	Group:Pork | Time point:Week 8	RAW_FILE_NAME=MXP500L-0-8111_1008947005_81_0_1_1_00_1008945700.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_81_1_1_1_00_1008945700.raw
SUBJECT_SAMPLE_FACTORS           	-	M17TP2	Group:Pork | Time point:Week 8	RAW_FILE_NAME=MXP500L-0-8111_1008947005_93_0_1_1_00_1008945714.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_93_1_1_1_00_1008945714.raw
SUBJECT_SAMPLE_FACTORS           	-	M18TP2	Group:Pork | Time point:Week 8	RAW_FILE_NAME=MXP500L-0-8111_1008947005_10_0_1_1_00_1008945729.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_10_1_1_1_00_1008945729.raw
SUBJECT_SAMPLE_FACTORS           	-	M19TP2	Group:Pork | Time point:Week 8	RAW_FILE_NAME=MXP500L-0-8111_1008947005_22_0_1_1_00_1008945733.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_22_1_1_1_00_1008945733.raw
SUBJECT_SAMPLE_FACTORS           	-	M20TP2	Group:Pork | Time point:Week 8	RAW_FILE_NAME=MXP500L-0-8111_1008947005_34_0_1_1_00_1008945748.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_34_1_1_1_00_1008945748.raw
SUBJECT_SAMPLE_FACTORS           	-	M21TP1	Group:Sausage | Time point:Week 0	RAW_FILE_NAME=MXP500L-0-8111_1008947005_41_0_1_1_00_1008945360.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_41_1_1_1_00_1008945360.raw
SUBJECT_SAMPLE_FACTORS           	-	M22TP1	Group:Sausage | Time point:Week 0	RAW_FILE_NAME=MXP500L-0-8111_1008947005_53_0_1_1_00_1008945374.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_53_1_1_1_00_1008945374.raw
SUBJECT_SAMPLE_FACTORS           	-	M23TP1	Group:Sausage | Time point:Week 0	RAW_FILE_NAME=MXP500L-0-8111_1008947005_65_0_1_1_00_1008945389.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_65_1_1_1_00_1008945389.raw
SUBJECT_SAMPLE_FACTORS           	-	M24TP1	Group:Sausage | Time point:Week 0	RAW_FILE_NAME=MXP500L-0-8111_1008947005_77_0_1_1_00_1008945393.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_77_1_1_1_00_1008945393.raw
SUBJECT_SAMPLE_FACTORS           	-	M25TP1	Group:Sausage | Time point:Week 0	RAW_FILE_NAME=MXP500L-0-8111_1008947005_89_0_1_1_00_1008945404.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_89_1_1_1_00_1008945404.raw
SUBJECT_SAMPLE_FACTORS           	-	M26TP1	Group:Sausage | Time point:Week 0	RAW_FILE_NAME=MXP500L-0-8111_1008947005_06_0_1_1_00_1008945419.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_06_1_1_1_00_1008945419.raw
SUBJECT_SAMPLE_FACTORS           	-	M27TP1	Group:Sausage | Time point:Week 0	RAW_FILE_NAME=MXP500L-0-8111_1008947005_18_0_1_1_00_1008945423.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_18_1_1_1_00_1008945423.raw
SUBJECT_SAMPLE_FACTORS           	-	M28TP1	Group:Sausage | Time point:Week 0	RAW_FILE_NAME=MXP500L-0-8111_1008947005_30_0_1_1_00_1008945438.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_30_1_1_1_00_1008945438.raw
SUBJECT_SAMPLE_FACTORS           	-	M29TP1	Group:Sausage | Time point:Week 0	RAW_FILE_NAME=MXP500L-0-8111_1008947005_42_0_1_1_00_1008945442.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_42_1_1_1_00_1008945442.raw
SUBJECT_SAMPLE_FACTORS           	-	M30TP1	Group:Sausage | Time point:Week 0	RAW_FILE_NAME=MXP500L-0-8111_1008947005_54_0_1_1_00_1008945457.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_54_1_1_1_00_1008945457.raw
SUBJECT_SAMPLE_FACTORS           	-	M21TP2	Group:Sausage | Time point:Week 8	RAW_FILE_NAME=MXP500L-0-8111_1008947005_58_0_1_1_00_1008945752.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_58_1_1_1_00_1008945752.raw
SUBJECT_SAMPLE_FACTORS           	-	M22TP2	Group:Sausage | Time point:Week 8	RAW_FILE_NAME=MXP500L-0-8111_1008947005_70_0_1_1_00_1008945767.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_70_1_1_1_00_1008945767.raw
SUBJECT_SAMPLE_FACTORS           	-	M23TP2	Group:Sausage | Time point:Week 8	RAW_FILE_NAME=MXP500L-0-8111_1008947005_82_0_1_1_00_1008945771.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_82_1_1_1_00_1008945771.raw
SUBJECT_SAMPLE_FACTORS           	-	M24TP2	Group:Sausage | Time point:Week 8	RAW_FILE_NAME=MXP500L-0-8111_1008947005_94_0_1_1_00_1008945786.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_94_1_1_1_00_1008945786.raw
SUBJECT_SAMPLE_FACTORS           	-	M25TP2	Group:Sausage | Time point:Week 8	RAW_FILE_NAME=MXP500L-0-8111_1008947005_11_0_1_1_00_1008945791.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_11_1_1_1_00_1008945791.raw
SUBJECT_SAMPLE_FACTORS           	-	M26TP2	Group:Sausage | Time point:Week 8	RAW_FILE_NAME=MXP500L-0-8111_1008947005_23_0_1_1_00_1008945801.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_23_1_1_1_00_1008945801.raw
SUBJECT_SAMPLE_FACTORS           	-	M28TP2	Group:Sausage | Time point:Week 8	RAW_FILE_NAME=MXP500L-0-8111_1008947005_35_0_1_1_00_1008945816.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_35_1_1_1_00_1008945816.raw
SUBJECT_SAMPLE_FACTORS           	-	M29TP2	Group:Sausage | Time point:Week 8	RAW_FILE_NAME=MXP500L-0-8111_1008947005_47_0_1_1_00_1008945821.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_47_1_1_1_00_1008945821.raw
SUBJECT_SAMPLE_FACTORS           	-	M30TP2	Group:Sausage | Time point:Week 8	RAW_FILE_NAME=MXP500L-0-8111_1008947005_59_0_1_1_00_1008945835.raw; RAW_FILE_NAME=MXP500L-0-8111_1008947005_59_1_1_1_00_1008945835.raw
#COLLECTION
CO:COLLECTION_SUMMARY            	Blood samples were collected from the tails of all animals at week 0 and a final
CO:COLLECTION_SUMMARY            	cardiac puncture blood was taken at the termination of the study (week 8).
CO:SAMPLE_TYPE                   	Blood (serum)
CO:STORAGE_CONDITIONS            	-20℃
#TREATMENT
TR:TREATMENT_SUMMARY             	Each treatment group received one of four diets for the duration of the study,
TR:TREATMENT_SUMMARY             	the dietary groups included; Control, which consisted of 100% AIN76 (Altromin,
TR:TREATMENT_SUMMARY             	Germany). Sausage meat (15%)/AIN76 (85%), Frankfurter (15%)/AIN76 (85%),
TR:TREATMENT_SUMMARY             	unprocessed pork (15%)/AIN76 (85%).All meat was freeze dried by European Freeze
TR:TREATMENT_SUMMARY             	Dry (UK) and powderized. Altromin then incorporated this into pellet composed of
TR:TREATMENT_SUMMARY             	15% meat powder and 85% AIN76.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Samples were dispensed into a 96-well plate, dried at room temperature for 30
SP:SAMPLEPREP_SUMMARY            	min and then 50 µL of phenylisothiocyanate (PITC) was added. After a further 20
SP:SAMPLEPREP_SUMMARY            	min incubation at room temperature samples were dried under nitrogen for 1 h.
SP:SAMPLEPREP_SUMMARY            	Ammonium acetate (3 mM) was added, and the plate was shaken at room temperature
SP:SAMPLEPREP_SUMMARY            	for 30 min and centrifuged for 2 min at 500 g. Each well then had 150 µL
SP:SAMPLEPREP_SUMMARY            	transferred from it to a 96 deep well plate along with and equal volume of dH2O.
#CHROMATOGRAPHY
CH:INSTRUMENT_NAME               	Waters Acquity I-Class
CH:COLUMN_NAME                   	Biocrates Quant500
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Waters Xevo-TQ-S
MS:INSTRUMENT_TYPE               	Triple quadrupole
MS:MS_TYPE                       	ESI
MS:MS_COMMENTS                   	ESI positive acquisition Data were acquired using Waters Masslynx and processed
MS:MS_COMMENTS                   	using the MetIDQ software.
MS:ION_MODE                      	POSITIVE
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	uM
MS_METABOLITE_DATA_START
Samples	M10TP1	M1TP1	M2TP1	M3TP1	M4TP1	M5TP1	M6TP1	M7TP1	M8TP1	M9TP1	M10TP2	M1TP2	M2TP2	M3TP2	M4TP2	M5TP2	M7TP2	M8TP2	M9TP2	M31TP1	M32TP1	M33TP1	M34TP1	M35TP1	M36TP1	M37TP1	M38TP1	M39TP1	M40TP1	M31TP2	M32TP2	M33TP2	M34TP2	M35TP2	M36TP2	M37TP2	M38TP2	M39TP2	M40TP2	M11TP1	M12TP1	M13TP1	M14TP1	M15TP1	M16TP1	M17TP1	M18TP1	M19TP1	M20TP1	M11TP2	M12TP2	M13TP2	M14TP2	M15TP2	M16TP2	M17TP2	M18TP2	M19TP2	M20TP2	M21TP1	M22TP1	M23TP1	M24TP1	M25TP1	M26TP1	M27TP1	M28TP1	M29TP1	M30TP1	M21TP2	M22TP2	M23TP2	M24TP2	M25TP2	M26TP2	M28TP2	M29TP2	M30TP2
Factors	Group:Control | Time point:Week 0	Group:Control | Time point:Week 0	Group:Control | Time point:Week 0	Group:Control | Time point:Week 0	Group:Control | Time point:Week 0	Group:Control | Time point:Week 0	Group:Control | Time point:Week 0	Group:Control | Time point:Week 0	Group:Control | Time point:Week 0	Group:Control | Time point:Week 0	Group:Control | Time point:Week 8	Group:Control | Time point:Week 8	Group:Control | Time point:Week 8	Group:Control | Time point:Week 8	Group:Control | Time point:Week 8	Group:Control | Time point:Week 8	Group:Control | Time point:Week 8	Group:Control | Time point:Week 8	Group:Control | Time point:Week 8	Group:Frankfurter | Time point:Week 0	Group:Frankfurter | Time point:Week 0	Group:Frankfurter | Time point:Week 0	Group:Frankfurter | Time point:Week 0	Group:Frankfurter | Time point:Week 0	Group:Frankfurter | Time point:Week 0	Group:Frankfurter | Time point:Week 0	Group:Frankfurter | Time point:Week 0	Group:Frankfurter | Time point:Week 0	Group:Frankfurter | Time point:Week 0	Group:Frankfurter | Time point:Week 8	Group:Frankfurter | Time point:Week 8	Group:Frankfurter | Time point:Week 8	Group:Frankfurter | Time point:Week 8	Group:Frankfurter | Time point:Week 8	Group:Frankfurter | Time point:Week 8	Group:Frankfurter | Time point:Week 8	Group:Frankfurter | Time point:Week 8	Group:Frankfurter | Time point:Week 8	Group:Frankfurter | Time point:Week 8	Group:Pork | Time point:Week 0	Group:Pork | Time point:Week 0	Group:Pork | Time point:Week 0	Group:Pork | Time point:Week 0	Group:Pork | Time point:Week 0	Group:Pork | Time point:Week 0	Group:Pork | Time point:Week 0	Group:Pork | Time point:Week 0	Group:Pork | Time point:Week 0	Group:Pork | Time point:Week 0	Group:Pork | Time point:Week 8	Group:Pork | Time point:Week 8	Group:Pork | Time point:Week 8	Group:Pork | Time point:Week 8	Group:Pork | Time point:Week 8	Group:Pork | Time point:Week 8	Group:Pork | Time point:Week 8	Group:Pork | Time point:Week 8	Group:Pork | Time point:Week 8	Group:Pork | Time point:Week 8	Group:Sausage | Time point:Week 0	Group:Sausage | Time point:Week 0	Group:Sausage | Time point:Week 0	Group:Sausage | Time point:Week 0	Group:Sausage | Time point:Week 0	Group:Sausage | Time point:Week 0	Group:Sausage | Time point:Week 0	Group:Sausage | Time point:Week 0	Group:Sausage | Time point:Week 0	Group:Sausage | Time point:Week 0	Group:Sausage | Time point:Week 8	Group:Sausage | Time point:Week 8	Group:Sausage | Time point:Week 8	Group:Sausage | Time point:Week 8	Group:Sausage | Time point:Week 8	Group:Sausage | Time point:Week 8	Group:Sausage | Time point:Week 8	Group:Sausage | Time point:Week 8	Group:Sausage | Time point:Week 8	
1-Met-His	2.1500	1.9700	2.5600	3.4400	2.7200	2.7600	2.0200	3.3300	2.1000	2.5100	2.3400	3.1900	1.9800	1.6300	1.1800	1.5300	2.9100	1.7300	4.1600	1.1600	1.9400	2.2600	4.2400	4.9000	2.4500	3.9200	2.8000	2.3700	3.9500	4.6900	3.6000	4.5100	6.0100	5.9300	5.2100	4.9200	4.8900	5.1500	3.2600	2.7800	2.7700	3.8300	2.7700	4.3000	2.6200	3.0600	3.3100	2.6900	3.0400	2.8000	3.2900	3.2000	4.7100	3.1400	2.3000	4.1600	4.4500	5.1400	4.0100	2.3800	3.1300	2.1500	2.6700	2.9000	3.3100	2.1900	3.3100	2.7200	2.6900	4.1000	4.6600	6.7900	5.5400	3.6600	5.7400	3.8000	5.5400	2.5900
3-Met-His	1.1900	1.0700	1.2300	1.7500	1.6600	1.4700	1.0000	2.2400	1.1600	1.1500	1.5000	2.6200	1.2000	1.1100	0.6580	1.0100	1.5400	1.2500	1.8400	0.6910	1.0700	1.1800	2.8800	2.6000	1.4900	2.2000	1.3700	1.4200	2.0500	2.3900	2.5500	2.4100	2.5300	3.3100	2.6600	3.1800	2.6700	2.9700	3.6600	2.0000	1.2300	1.8000	1.6500	2.6000	1.3100	1.6600	1.9000	1.5600	1.5400	1.6600	1.4800	1.5100	2.1000	1.7800	1.3200	2.3700	1.7600	2.7400	2.1100	1.5000	1.7800	1.0700	1.5600	1.9400	2.0700	1.1400	1.6200	1.3500	1.3500	2.9900	3.2700	2.6900	2.0900	2.9700	2.4100	2.3400	2.0900	1.1000
5-AVA	0.1680	0.2590	0.4370	0.3130	0.2320	0.2340	0.2060	0.3140	0.1140	0.1380	0.1720	2.8100	0.1780	0.0820	0.1250	0.1350	0.0830	0.0860	0.0450	0.0510	0.0550	0.0580	0.5790	0.0930	0.0890	0.2580	0.0870	0.0630	0.2470	0.2910	0.3630	0.0680	0.1370	0.1480	0.5680	0.2850	0.2710	0.2810	1.3000	0.1150	0.0770	0.1680	0.1280	2.8400	0.1760	0.0930	0.1820	0.2890	0.1730	0.1320	0.0880	0.1380	0.1360	0.0930	0.1100	0.1120	0.0860	0.1540	0.0960	0.1040	0.1330	0.0870	0.0720	0.0830	0.1140	0.8060	0.1080	0.1130	0.1970	0.8130	0.1130	0.1210	0.3200	1.0100	0.0780	0.0860	0.0510	0.0550
AABA	3.6800	3.4600	4.7000	6.3900	4.9300	4.0500	3.4800	7.8500	3.6100	4.1800	9.5900	11.9000	10.5000	20.1000	11.9000	9.9200	11.9000	14.9000	18.4000	1.4700	2.2000	2.5500	12.9000	8.1500	2.8400	7.2900	2.8800	2.8100	7.1100	6.8000	10.3000	7.1800	6.3400	8.0600	8.0000	8.2500	10.5000	8.3200	20.2000	3.9700	3.1900	4.5200	3.4900	11.0000	3.8400	4.7100	4.8100	4.7400	4.5500	11.4000	21.1000	20.3000	20.8000	13.9000	16.0000	11.3000	14.6000	20.6000	9.2400	3.6800	3.8300	2.5300	4.6400	4.2600	4.6400	4.2000	3.5800	3.5200	4.1800	16.9000	13.0000	14.9000	8.3900	16.7000	8.0000	34.0000	19.2000	23.9000
Ac-Orn				0.0360																																																																										
ADMA	1.0100	1.0200	1.2200	1.5600	1.2900	1.1800	1.0400	1.4500	0.8700	1.1300	1.0600	2.9000	1.0700	1.2800	0.9220	1.1700	0.9260	0.7310	0.9570	0.5500	0.7550	0.8950	1.0100	1.3200	0.9240	1.2400	1.0200	0.7930	1.2200	1.0700	1.0500	0.9690	1.4400	1.4100	1.4500	1.2100	0.9650	0.8270	0.6850	1.4800	1.0700	1.5300	1.1600	1.7400	1.0900	1.7600	1.3900	0.9760	1.3600	1.1800	1.1900	1.0900	1.2700	1.3500	1.2100	1.4200	0.7910	1.6700	0.9470	0.9580	1.4900	0.8790	1.2200	1.4800	1.4100	1.3600	1.3500	1.2100	1.1000	0.8410	2.1900	1.1000	0.6990	0.8960	1.0800	0.9750	0.7190	1.0400
Ala	578.0000	510.0000	516.0000	1188.0000	1038.0000	780.0000	527.0000	907.0000	587.0000	583.0000	1615.0000	2427.0000	876.0000	1127.0000	896.0000	1010.0000	973.0000	1182.0000	787.0000	295.0000	390.0000	486.0000	1039.0000	808.0000	506.0000	950.0000	598.0000	538.0000	867.0000	813.0000	939.0000	791.0000	628.0000	1086.0000	626.0000	1114.0000	1231.0000	759.0000	1691.0000	1170.0000	527.0000	826.0000	707.0000	959.0000	629.0000	556.0000	689.0000	707.0000	704.0000	1473.0000	1004.0000	1337.0000	1154.0000		765.0000	1220.0000	508.0000	1616.0000	902.0000	769.0000	722.0000	525.0000	776.0000	916.0000	809.0000	773.0000	859.0000	636.0000	562.0000	1916.0000	1333.0000	1568.0000	927.0000	1454.0000	1240.0000	979.0000	1399.0000	399.0000
alpha-AAA	9.5300	7.2900	10.9000	14.6000	8.9100	8.1300	8.7600	9.4400	7.5700	9.7500	34.7000	22.5000	33.4000	47.1000	33.3000	25.4000	22.8000	30.0000	23.6000	2.3100	5.5200	4.9400	12.5000	17.3000	7.0400	13.6000	8.3100	8.0700	14.2000	9.8800	8.1900	20.5000	9.6500	10.9000	9.6400	11.4000	24.2000	13.7000	5.2600	9.9400	7.6500	10.8000	6.1900	9.6800	8.4800	7.9700	8.4300	11.0000	9.9000	23.1000	19.3000	21.8000	21.1000	39.2000	16.8000	16.8000	20.2000	22.1000	25.6000	8.2400	7.6700	7.4900	6.9500	9.5100	9.1000	4.3500	7.1800	8.3900	8.4700	17.1000	31.4000	49.0000	38.1000	8.4000	25.6000	17.1000	62.0000	9.1500
Anserine	0.6860	0.4100	0.6750	0.8490	0.6730	0.6740	0.4280	0.9040	0.5410	0.6690	0.3510	0.5240	0.4670	0.3670	0.3580	0.4200	0.3100	0.3270	0.4720	0.2990	0.6300	0.6670	1.2000	1.5400	0.5280	1.0100	1.0900	1.0600	1.2700	0.5370	0.6280	0.5850	0.6010	0.5770	0.5660	0.6120	0.5690	0.4820	0.8410	1.3000	0.5320	0.8900	0.5370	1.1700	0.6360	0.5740	0.7570	0.9980	0.9270	0.3660	0.2800	0.3430	0.6110	0.4530	0.3440	0.4050	2.4600	0.4970	0.4180	0.6400	1.5200	0.6230	0.6060	1.1600	1.2700	0.5090	0.6220	1.0700	0.8740	0.6640	0.8960	0.5390	0.4280	0.6580	0.4910	0.5910	0.4430	0.2010
Arg	125.0000	113.0000	35.9000				125.0000	397.0000	57.5000	129.0000	166.0000	432.0000	118.0000	107.0000		224.0000	134.0000	134.0000	139.0000	42.4000	53.2000	77.7000	163.0000	162.0000	10.7000	319.0000	59.4000	70.6000	106.0000	206.0000	195.0000		215.0000	245.0000	217.0000	150.0000	182.0000	249.0000	183.0000	312.0000	60.8000	145.0000	79.0000	249.0000	55.7000	67.3000	97.5000	92.4000	101.0000	187.0000		196.0000	199.0000	233.0000	179.0000	235.0000	115.0000	269.0000	162.0000	106.0000	110.0000	82.2000	116.0000	109.0000	98.1000	88.7000	73.8000	94.3000	102.0000	517.0000	315.0000	246.0000	140.0000	187.0000	181.0000	194.0000		164.0000
Asn	33.4000	30.4000	30.6000	98.3000	83.1000	62.3000	21.5000	53.6000	34.8000	33.4000	68.9000	135.0000	66.7000	74.3000	80.8000	69.6000	48.0000	55.7000	48.7000	18.7000	23.1000	28.0000	56.7000	43.6000	35.9000	50.2000	41.1000	33.3000	44.5000	45.1000	62.4000	54.0000	48.2000	73.4000	53.3000	51.9000	61.7000	58.3000	83.2000	95.2000	30.9000	46.7000	31.8000	48.9000	28.6000	27.3000	40.4000	44.0000	37.9000	68.3000	72.2000	87.3000	68.7000	84.9000	63.4000	74.2000	32.5000	82.7000	50.5000	44.2000	38.3000	29.7000	52.1000	63.8000	49.4000	86.6000	56.0000	36.9000	33.2000	84.0000	112.0000	77.8000	45.8000	75.7000	63.1000	67.7000	156.0000	50.1000
Asp	10.9000	10.7000	9.7000	35.7000	38.2000	23.5000	8.7600	20.5000	10.0000	9.7800	11.6000	252.0000	6.7500	20.1000	26.5000	33.0000	10.9000	6.3700	8.1400	7.0000	6.5700	9.3500	10.3000	11.8000	8.0400	16.5000	10.1000	7.9000	10.6000	18.4000	9.3500	10.1000	13.3000	10.8000	16.1000	19.2000	8.2700	5.2800	11.6000	70.5000	8.0200	10.3000	15.9000	16.4000	8.2400	14.9000	10.5000	8.2400	8.9900	18.8000	31.8000	48.3000	8.8700	30.7000	5.8500	54.0000	5.2500	20.1000	8.4600	14.2000	12.6000	6.7100	14.4000	16.1000	11.9000	7.6400	11.1000	8.2600	8.8300	40.6000	243.0000	13.4000	10.4000	12.9000	19.5000	7.7800	28.4000	4.3600
BABA	0.0960	0.1050	0.1430	0.1640	0.1270	0.1510	0.1030	0.1220	0.0890	0.1090	0.0710	0.1940	0.0380	0.0640	0.0390	0.0820	0.0810	0.0640	0.1470	0.0120	0.0770	0.0970	0.0890	0.1150	0.0720	0.0960	0.0810	0.0980	0.0980	0.0820	0.1040	0.1000	0.1030	0.1110	0.0990	0.1300	0.1070	0.1700	0.1280	0.1220	0.1090	0.1300	0.0800	0.1700	0.0880	0.1530	0.1090	0.1120	0.1120	0.0420	0.0900	0.0900	0.1400	0.0840	0.0990	0.0910	0.1300	0.1100	0.0670	0.1050	0.1190	0.0910	0.0660	0.0920	0.0840	0.0940	0.1390	0.0750	0.1220	0.0960	0.1910	0.0940	0.1120	0.1080	0.0660	0.1190	0.0670	0.1400
beta-Ala	2.9000	2.9900	3.4000	4.7700	3.5400	2.9800	2.5800	3.6400	2.9500	2.9000	2.0700	5.6900	1.5900	1.9700	1.9200	2.2200	1.3600	1.2300	1.5000	1.3400	1.9700	2.3300	1.8200	2.7000	2.4300	2.2500	2.4300	2.0600	2.3100	2.0100	1.7600	1.8400	1.9100	1.8100	2.1200	2.0500	1.6100	1.1400	0.5440	4.2900	2.9300	3.7600	3.5900	2.8000	3.0100	3.6000	3.3500	3.2600	3.4500	1.7700	2.3600	2.2500	1.4700	2.1900	0.8990	2.8800	0.9550	2.9600	1.9700	3.1300	3.9900	2.7600	2.7700	3.0600	3.1400	3.0900	2.5600	2.7200	2.4500	1.1500	3.9400	1.8900	1.8700	0.7470	2.0600	1.1400	1.3100	0.5480
Betaine	43.8000	45.6000	51.6000	65.6000	86.4000	59.6000	41.6000	70.4000	64.1000	62.4000	37.1000	106.0000	31.4000	33.9000	50.9000	44.1000	52.1000	28.0000	52.2000	27.8000	41.0000	39.6000	51.5000	59.5000	72.1000	61.7000	51.2000	35.0000	54.1000	73.9000	70.5000	45.2000	75.2000	85.4000	84.8000	72.3000	43.9000	44.1000	32.4000	78.8000	49.6000	62.5000	69.4000	74.2000	61.3000	60.8000	64.9000	55.0000	48.1000	42.1000	74.2000	58.3000	54.1000	49.9000	48.6000	79.4000	33.1000	62.0000	38.4000	62.3000	60.0000	37.2000	64.4000	71.2000	63.8000	117.0000	52.5000	40.0000	44.8000	34.6000	68.9000	30.7000	41.3000	27.8000	39.7000	53.3000	29.2000	47.3000
c4-OH-Pro				0.0040	0.0260	0.0350	0.0060		0.0110	0.0140	0.0250		0.0210	0.0150	0.0260	0.0100						0.0240	0.0060		0.0110	0.0200	0.0090		0.0240	0.0120		0.0380	0.0130	0.0150	0.0130	0.0100	0.0190					0.0220		0.0210	0.0220	0.0120	0.0080	0.0070	0.0220				0.0110					0.0020		0.0200	0.0070	0.0180		0.0150		0.0020	0.0040	0.0040	0.0180	0.0060		0.0030	0.0190	0.0410	0.0050	0.0040	0.0030	
Carnosine	2.2800	1.6300	2.3400	3.6000	2.3700	2.8000	1.6700	2.8900	5.8200	2.8700	0.1990	0.5230	0.3800	0.2040	0.1860	0.3200	0.1870	0.1110	0.2560	0.7230	1.4900	1.9700	2.4900	4.4100	2.5900	2.4500	2.7900	1.8700	3.8100	0.5680	0.3690	0.9620	0.5850	0.5490	0.5260	0.3670	0.5110	0.7700	0.2330	4.8500	1.7800	2.4200	2.8900	2.0300	2.3400	2.2100	3.4600	1.9700	2.9900	0.1710	0.1450	0.2090	0.4150	0.2620	0.0650	0.3250	1.3800	0.3100	0.2590	1.8500	5.3000	1.3700	2.2300	2.8400	3.0600	1.3100	2.0400	2.7000	3.1600	0.2590	0.3950	1.0000	0.3460	0.1720	0.3460	0.2850	0.8120	0.0680
Cit	82.6000	79.6000	78.5000	128.0000	108.0000	85.0000	76.1000	112.0000	71.1000	85.4000	100.0000	118.0000	138.0000	103.0000	123.0000	136.0000	76.1000	76.5000	90.9000	34.6000	50.4000	64.0000	90.4000	90.8000	78.0000	104.0000	79.8000	76.2000	96.1000	85.0000	79.4000	111.0000	106.0000	139.0000	109.0000	119.0000	125.0000	103.0000	84.2000	105.0000	67.9000	109.0000	74.9000	112.0000	72.9000	81.7000	86.2000	84.3000	82.2000	88.1000	89.1000	89.0000	121.0000	96.8000	89.2000	173.0000	98.3000	149.0000	86.4000	82.3000	83.7000	67.2000	75.3000	123.0000	103.0000	112.0000	123.0000	89.7000	72.9000	98.8000	84.6000	123.0000	89.5000	82.5000	90.3000	91.3000	102.0000	86.1000
Creatinine	15.6000	13.0000	19.2000	22.5000	25.4000	28.6000	18.4000	21.0000	22.9000	15.9000	14.3000	18.6000	16.0000	16.4000	15.2000	16.3000	13.3000	14.0000	17.5000	9.1800	15.3000	17.6000	30.5000	25.0000	14.5000	21.1000	21.1000	20.4000	26.3000	17.4000	17.6000	25.0000	19.0000	22.3000	21.3000	20.6000	21.8000	17.5000	13.7000	21.1000	16.7000	22.9000	25.8000	22.1000	19.5000	18.3000	17.7000	18.5000	21.7000	22.9000	15.3000	16.6000	18.6000	19.2000	13.6000	20.5000	21.3000	22.3000	18.2000	18.4000	20.9000	17.1000	18.4000	27.6000	21.1000	25.2000	21.0000	23.7000	17.9000	23.9000	20.8000	26.7000	15.0000	16.5000	17.4000	14.5000	18.2000	13.2000
Cys	30.4000	27.7000	36.8000	60.5000	46.6000	41.9000	33.8000	31.7000	35.7000	35.4000	28.6000	57.4000	38.0000	35.1000	28.4000	26.9000	32.7000	30.0000	33.9000	12.3000	22.5000	26.4000	27.3000	36.8000	33.0000	33.1000	36.2000	34.0000	31.8000	25.1000	22.3000	34.5000	34.3000	37.8000	27.2000	30.4000	29.1000	39.5000	18.4000	50.6000	37.6000	47.3000	35.7000	22.1000	33.5000	44.7000	45.9000	39.7000	43.3000	31.1000	32.7000	24.2000	29.7000	28.4000	27.2000	45.7000	33.5000	36.1000	39.5000	41.2000	48.5000	30.1000	37.6000	44.5000	39.5000	32.7000	45.6000	40.0000	36.9000	17.2000	39.8000	25.8000	37.2000	15.7000	33.1000	32.9000	31.8000	29.9000
Cystine	0.5200	0.7400	0.5970	2.8400	1.7600	1.6100	0.6360	0.8900	0.6590	0.5860	0.4260	0.5800	0.3920	0.7950	1.0100	0.4120	0.3740	0.2390	0.5260	0.1240	0.5480	0.5260	0.5180	0.5240	0.8130	0.7510	0.6650	0.7590	0.5310	0.3600	0.2310	1.1400	0.4460	0.5360	0.1100	0.5370	0.1950	1.0100	0.1290	2.5300	0.9110	1.1600	0.7030	0.4400	0.5960	1.4300	1.2700	0.8870	0.8910	0.5530	0.5710	1.0900	0.2720	0.5310	0.2340	1.6200	0.5730	0.7230	0.6110	0.9010	1.4100	0.8430	1.3700	1.4400	1.1400	0.8260	1.6400	1.2400	0.9260	0.5760	1.8700	0.4680	0.6890	0.1980	0.3720	0.4140	0.9960	0.2840
DOPA	0.2490	0.2550	0.2470	0.2970	0.2710	0.2680	0.2630	0.2570	0.2440	0.2520	0.2400	0.2350	0.2470	0.2480	0.2380	0.2420	0.2250	0.2310	0.2270	0.2360	0.2410	0.2490	0.2480	0.2520	0.2570	0.2530	0.2480	0.2400	0.2440	0.2260	0.2240	0.2320	0.2260	0.2260	0.2200	0.2240	0.2280	0.2310	0.2270	0.2570	0.2500	0.2570	0.2420	0.2380	0.2570	0.2430	0.2620	0.2500	0.2480	0.2370	0.2280	0.2320	0.2270	0.2440	0.2270	0.2310	0.2300	0.2380	0.2300	0.2550	0.2420	0.2520	0.2500	0.2580	0.2650	0.2800	0.2540	0.2520	0.2440	0.2390	0.2260	0.2430	0.2270	0.2360	0.2260	0.2210	0.2430	0.2210
Dopamine	0.0610	0.0610	0.0610	0.0610	0.0610	0.0610	0.0610	0.0610	0.0610	0.0610	0.0610	0.0610	0.0610	0.0610	0.0610	0.0610	0.0610	0.0610	0.0610	0.0610	0.0610	0.0610	0.0610	0.0610	0.0610	0.0610	0.0610	0.0610	0.0610	0.0610	0.0610	0.0610	0.0610	0.0610	0.0610	0.0610	0.0610	0.0610	0.0610	0.0610	0.0610	0.0610	0.0610	0.0610	0.0610	0.0610	0.0610	0.0610	0.0610	0.0610	0.0640	0.0610	0.0610	0.0650	0.0610	0.0610	0.0610	0.0610	0.0610	0.0610	0.0610	0.0610	0.0610	0.0610	0.0610	0.0610	0.0610	0.0610	0.0610	0.0610	0.0610	0.0610	0.0610	0.0610	0.0610	0.0610	0.0610	0.0610
GABA	0.2880	0.3060	0.4020	0.6110	0.3860	0.3300	0.3370	0.4240	0.3270	0.3330	0.3310	1.1400	0.2600	0.3770	0.3550	0.4080	0.2240	0.2890	0.2540	0.2260	0.2290	0.2740	0.2320	0.2660	0.2870	0.3220	0.2690	0.3150	0.3260	0.4010	0.3560	0.2260	0.2990	0.3440	0.4360	0.4310	0.3830	0.2790	0.2150	0.4140	0.3370	0.3800	0.4010	0.4260	0.3520	0.3890	0.3420	0.4050	0.4150	0.3000	0.3310	0.4230	0.2540	0.3170	0.2210	0.3940	0.2500	0.3660	0.2780	0.3400	0.3600	0.3710	0.2730	0.3450	0.3440	2.0400	0.3330	0.3140	0.3530	0.2680	0.8100	0.3110	0.2530	0.2800	0.2760	0.2430	0.2230	0.2010
Gln	653.0000	582.0000	676.0000	1141.0000	988.0000	832.0000	568.0000	766.0000	682.0000	728.0000	739.0000	808.0000	588.0000	860.0000	852.0000	775.0000	708.0000	673.0000	851.0000	329.0000	458.0000	561.0000	994.0000	961.0000	609.0000	999.0000	767.0000	688.0000	860.0000	704.0000	683.0000	730.0000	804.0000	886.0000	813.0000	1006.0000	768.0000	856.0000	1035.0000	1183.0000	605.0000	867.0000	683.0000	681.0000	622.0000	735.0000	921.0000	884.0000	849.0000	651.0000	725.0000	809.0000	850.0000	752.0000	638.0000	795.0000	487.0000	670.0000	482.0000	871.0000	810.0000	648.0000	835.0000	881.0000	773.0000	997.0000	753.0000	765.0000	709.0000	905.0000	510.0000	653.0000	573.0000	896.0000	682.0000	863.0000	942.0000	680.0000
Glu	145.0000	119.0000	139.0000	239.0000	170.0000	172.0000	122.0000	180.0000	121.0000	149.0000	131.0000	413.0000	105.0000	147.0000	118.0000	107.0000	66.5000	102.0000	131.0000	46.0000	67.7000	95.8000	120.0000	163.0000	111.0000	142.0000	109.0000	103.0000	159.0000	99.1000	93.5000	93.0000	83.8000	89.9000	102.0000	112.0000	117.0000	78.9000	62.6000	292.0000	111.0000	149.0000	161.0000	178.0000	107.0000	152.0000	138.0000	141.0000	133.0000	142.0000	141.0000	120.0000	96.8000	142.0000	60.3000	150.0000	94.3000	188.0000	104.0000	113.0000	164.0000	87.5000	120.0000	137.0000	143.0000	131.0000	125.0000	90.1000	104.0000	122.0000	298.0000	141.0000	104.0000	74.7000	112.0000	77.4000	205.0000	44.3000
Gly	331.0000	286.0000	292.0000	633.0000	570.0000	463.0000	286.0000	563.0000	301.0000	298.0000	392.0000	1579.0000	262.0000	339.0000	403.0000	330.0000	295.0000	245.0000	304.0000	167.0000	238.0000	277.0000	317.0000	357.0000	322.0000	417.0000	315.0000	307.0000	393.0000	506.0000	409.0000	342.0000	483.0000	519.0000	574.0000	486.0000	454.0000	389.0000	273.0000	677.0000	308.0000	423.0000	368.0000	648.0000	333.0000	371.0000	399.0000	349.0000	364.0000	501.0000	544.0000	664.0000	474.0000	586.0000	396.0000	652.0000	216.0000	567.0000	317.0000	373.0000	378.0000	271.0000	371.0000	427.0000	400.0000	416.0000	413.0000	297.0000	285.0000	379.0000	1413.0000	373.0000	328.0000	290.0000	476.0000	451.0000	465.0000	315.0000
HArg	0.4680	0.6370	0.6670	0.6470	0.4700	0.4590	0.5270	0.6880	0.5560	0.5950	0.3980	0.5240	0.5750	0.6140	0.9190	0.8030	0.3000	0.3160	0.2970	0.2680	0.4380	0.4430	0.8940	1.2300	0.4730	1.0500	0.5380	0.4130	1.0800	0.7300	0.5770	0.8490	0.6000	0.8520	0.9160	0.7500	0.7310	0.7000	0.5090	0.5260	0.5660	0.5700	0.6590	0.6080	0.5310	1.0500	0.5370	0.6200	0.7700	0.3190	0.2750	0.4350	0.2590	0.5350	0.5290	0.4150	0.2410	0.3530	0.2940	0.7920	0.9260	0.4710	0.9470	0.7810	0.5970	0.6320	0.7980	0.9050	0.6090	0.4300	0.2630	0.4680	0.2490	0.5070	0.4420	0.5300	0.2540	0.3730
HCys	1.6700	2.0100	2.6000	3.2200	2.3400	1.9600	2.6200	2.0600	1.8100	2.4000	3.5700	3.2900	9.6500	6.0700	3.6000	3.6400	3.5700	6.6900	2.6000	0.7760	0.7980	2.0400	2.5700	3.1700	1.6400	2.5200	2.5900	2.2900	1.6600	2.1100	2.1100	3.8900	2.0900	2.9000	2.0700	2.1000	4.2900	3.7700	1.2700	2.6600	1.6200	3.0800	1.7900	1.6800	1.6500	2.6600	3.1000	2.1600	2.6600	2.2200	2.0000	1.7000	2.6200	2.9100	1.6400	4.1800	2.7200	2.7400	4.1500	2.1400	2.9500	2.0400	1.6300	2.4500	2.7300	1.4600	2.3600	2.5100	1.7400	2.3900	2.2800	4.3000	3.8800	2.1900	2.7600	2.0100	5.3200	2.5000
His	64.5000	49.5000	61.9000	195.0000	176.0000	134.0000	53.5000	83.2000	215.0000	71.7000	93.5000	145.0000	95.2000	102.0000	115.0000	101.0000	78.8000	84.6000	67.7000	33.1000	42.2000	51.3000	93.3000	69.9000	106.0000	77.4000	76.3000	63.6000	60.2000	82.0000	75.2000	110.0000	83.4000	108.0000	86.4000	94.3000	91.4000	91.5000	179.0000	193.0000	50.9000	76.6000	57.1000	44.0000	57.9000	30.7000	131.0000	78.7000	73.5000	92.4000	116.0000	96.6000	90.8000	110.0000	103.0000	116.0000	64.1000	96.4000	71.9000	92.0000	70.2000	53.1000	81.5000	88.2000	75.7000	89.7000	85.8000	72.1000	87.2000	147.0000	122.0000	105.0000	65.6000	133.0000	82.5000	100.0000	235.0000	94.3000
Histamine	6.4500	2.7500	1.8200	1.3800	1.5100	1.1100	2.0500	4.2300	1.8300	1.0900	0.6640	0.8230	0.4350	0.6440	0.5310	0.5970	0.4520	0.6400	0.9760	1.5600	1.4300	1.3400	1.3400	2.4300	1.9700	3.5500	1.8300	1.0200	3.6300	0.4450	0.7160	0.5330	0.5320	0.5350	0.6100	0.9790	0.5140	0.5430	0.2710	2.5900	0.9150	1.7600	3.5400	4.7100	0.9940	4.0700	1.5700	1.0600	1.6900	0.7900	0.6020	0.5710	0.8870	0.4710	0.3910	0.6400	0.7020	0.6040	0.5970	2.9300	2.6100	1.1500	2.4200	2.5800	4.3800	1.4200	1.5700	0.5090	1.6400	0.4020	0.9480	0.5730	0.4180	0.3430	0.6090	0.6410	0.4880	0.3420
Ile	91.1000	76.6000	109.0000	218.0000	154.0000	145.0000	85.9000	144.0000	71.4000	86.3000	146.0000	280.0000	175.0000	201.0000	186.0000	189.0000	120.0000	146.0000	99.9000	33.4000	55.6000	63.0000	121.0000	116.0000	74.8000	113.0000	85.7000	70.6000	105.0000	110.0000	137.0000	149.0000	120.0000	131.0000	97.2000	160.0000	151.0000	155.0000	127.0000	168.0000	75.6000	90.5000	67.6000	138.0000	79.6000	96.0000	81.8000	102.0000	100.0000	184.0000	191.0000	146.0000	180.0000	181.0000	107.0000	229.0000	86.8000	235.0000	153.0000	77.2000	104.0000	68.5000	116.0000	134.0000	141.0000	121.0000	99.8000	99.2000	93.8000	193.0000	256.0000	291.0000	111.0000	127.0000	117.0000	155.0000	379.0000	137.0000
Kynurenine	1.1900	1.0400	1.2800	2.8700	1.3800	1.3900	1.0700	1.4000	1.1500	1.5000	0.7430	0.9360	1.1500	1.2000	1.1300	1.1000	0.7310	0.8460	0.7290	0.5850	1.1600	1.1500	1.9200	2.2200	1.5700	1.3600	2.0900	1.5500	1.2400	1.0000	0.9260	1.2300	1.0500	0.9290	1.2400	1.1300	1.2200	0.9740	1.0300	1.4700	1.0400	1.4700	1.0100	1.1800	1.0600	1.4500	1.0600	1.1000	1.6300	0.5000	0.5170	0.4410	0.6950	0.6450	0.6920	0.4760	0.5640	0.6200	0.5310	1.2500	1.4200	1.0800	1.4000	2.1900	1.9600	1.5600	1.7100	1.8400	1.5200	0.7960	0.5710	0.9390	0.5570	0.8350	0.5110	0.4900	0.8600	0.5100
Leu	189.0000	172.0000	197.0000	825.0000	531.0000	446.0000	178.0000	291.0000	156.0000	187.0000	231.0000	540.0000	267.0000	321.0000	383.0000	303.0000	169.0000	242.0000	161.0000	74.3000	110.0000	131.0000	189.0000	202.0000	156.0000	244.0000	194.0000	155.0000	170.0000	177.0000	207.0000	264.0000	184.0000	208.0000	153.0000	228.0000	253.0000	266.0000	211.0000	622.0000	151.0000	189.0000	151.0000	181.0000	151.0000	146.0000	171.0000	222.0000	203.0000	271.0000	356.0000	282.0000	302.0000	267.0000	157.0000	361.0000	135.0000	358.0000	208.0000	187.0000	191.0000	144.0000	224.0000	290.0000	283.0000	207.0000	203.0000	180.0000	151.0000	337.0000	462.0000	440.0000	166.0000	206.0000	173.0000	252.0000		219.0000
Lys	351.0000	402.0000	400.0000				299.0000	874.0000	378.0000	397.0000	522.0000	907.0000	598.0000	744.0000		870.0000	343.0000	420.0000	323.0000	190.0000	267.0000	314.0000	615.0000	550.0000	397.0000	844.0000	475.0000	317.0000	555.0000	542.0000	580.0000	956.0000	446.0000	663.0000	472.0000	649.0000	670.0000	554.0000	804.0000		360.0000	434.0000	381.0000	526.0000	360.0000	457.0000	463.0000	447.0000	488.0000	463.0000			480.0000	646.0000	492.0000	525.0000	211.0000	539.0000	399.0000	529.0000	505.0000	343.0000	653.0000	661.0000	534.0000	430.0000	496.0000	461.0000	397.0000		611.0000	670.0000	315.0000	801.0000	411.0000	477.0000		395.0000
Met	79.3000	66.3000	71.4000	259.0000	213.0000	155.0000	76.9000	146.0000	72.7000	74.3000	157.0000	215.0000	196.0000	205.0000	202.0000	187.0000	84.8000	140.0000	68.3000	36.4000	46.6000	79.9000	126.0000	107.0000	91.0000	135.0000	102.0000	75.9000	107.0000	115.0000	95.8000	263.0000	78.4000	152.0000	68.2000	98.9000	234.0000	153.0000	141.0000	257.0000	60.0000	105.0000	68.9000	96.8000	67.3000	68.1000	80.3000	92.7000	82.8000	109.0000	119.0000	124.0000	88.1000	200.0000	82.5000	138.0000	54.2000	124.0000	110.0000	118.0000	77.3000	65.4000	102.0000	143.0000	114.0000	102.0000	115.0000	74.0000	64.2000	180.0000	133.0000	214.0000	103.0000	144.0000	93.1000	74.2000	270.0000	58.9000
Met-SO	2.3700	2.3900	2.1200	4.4700	3.6500	2.4300	2.8500	3.1300	2.2600	2.4800	20.0000	16.1000	41.9000	38.0000	10.9000	21.3000	9.2900	27.2000	5.7600	0.9830	1.4300	2.4800	4.8200	3.3900	2.6900	3.4200	2.9800	2.3300	2.6400	4.8200	3.0600	7.9900	2.6100	6.5900	4.3800	3.9100	10.4000	6.0600	6.1000	3.6700	1.9800	3.0800	2.0200	2.5100	2.3400	2.0800	2.4000	2.3000	2.1300	10.4000	5.0100	8.0300	8.1000	33.2000	5.4300	10.7000	2.8600	18.8000	12.9000	3.9300	2.1100	2.3600	2.5900	4.2500	3.0700	2.9200	2.7600	1.9700	1.7200	13.1000	5.7100	61.2000	15.1000	7.7200	10.1000	3.8400	38.0000	3.1400
Nitro-Tyr																																																																														
Orn	153.0000	166.0000	251.0000	372.0000	419.0000	427.0000	131.0000	300.0000	225.0000	161.0000	133.0000	121.0000	158.0000	221.0000	151.0000	159.0000	89.4000	82.2000	104.0000	102.0000	132.0000	136.0000	101.0000	103.0000	256.0000	216.0000	238.0000	150.0000	201.0000	95.2000	106.0000	96.9000	91.8000	114.0000	85.6000	151.0000	109.0000	121.0000	122.0000	1525.0000	193.0000	196.0000	184.0000	156.0000	186.0000	280.0000	227.0000	203.0000	211.0000	110.0000	235.0000	970.0000	101.0000	121.0000	138.0000	166.0000	81.6000	117.0000	87.1000	265.0000	196.0000	152.0000	245.0000	283.0000	265.0000	279.0000	294.0000	212.0000	213.0000	351.0000	118.0000	125.0000	119.0000	191.0000	99.6000	106.0000	280.0000	128.0000
PAG	0.6280	0.4080	0.8320	0.7290	0.8460	0.9800	1.1100	1.3700	0.6570	0.5650	1.9700	3.5200	2.0700	1.5100	1.5600	2.3800	1.7300	1.1700	0.7040	0.4510	0.3930	0.5670	1.0500	1.6200	0.6960	1.7500	0.5080	0.6150	1.9300	1.8600	1.2600	1.3300	1.7900	4.1100	1.9900	3.6900	2.4600	1.9000	0.6630	0.6490	0.5640	1.2500	0.5230	2.4900	0.9030	0.4070	0.5610	0.5830	0.6010	1.6700	1.6600	1.5100	1.6700	1.7500	1.2900	2.0600	4.2600	2.1900	1.6300	0.4300	0.5800	0.7080	0.3800	0.5240	0.6980	0.3120	0.6380	0.5620	0.6750	1.2500	3.2200	1.8600	1.6400	0.8930	1.5500	0.8130	1.0400	1.2100
PEA																																																																														
Phe	97.0000	71.4000	94.2000	220.0000	166.0000	148.0000	85.2000	114.0000	83.3000	95.7000	109.0000	211.0000	115.0000	143.0000	149.0000	144.0000	84.6000	98.7000	94.2000	33.7000	61.5000	77.1000	110.0000	85.0000	92.9000	102.0000	109.0000	90.4000	87.4000	88.6000	97.8000	110.0000	95.1000	122.0000	99.0000	100.0000	121.0000	114.0000	155.0000	183.0000	76.8000	111.0000	71.8000	74.8000	78.3000	67.3000	93.7000	113.0000	103.0000	136.0000	132.0000	137.0000	140.0000	157.0000	127.0000	139.0000	91.5000	144.0000	105.0000	96.1000	94.6000	77.5000	96.5000	122.0000	117.0000	132.0000	110.0000	99.0000	88.0000	165.0000	178.0000	147.0000	78.7000	135.0000	101.0000	154.0000	252.0000	124.0000
PheAlaBetaine	0.0050	0.0090	0.0060	0.0060	0.0130	0.0020	0.0100	0.0060	0.0110	0.0080	0.0070	0.0050	0.0080	0.0040	0.0050	0.0050	0.0050	0.0060	0.0080	0.0110	0.0050	0.0070	0.0090	0.0080	0.0070	0.0080	0.0060	0.0060	0.0070	0.0120	0.0060	0.0060	0.0060	0.0110	0.0100	0.0080	0.0070	0.0060	0.0130	0.0110	0.0080	0.0120	0.0060	0.0140	0.0080	0.0080	0.0200	0.0040	0.0090	0.0060	0.0070	0.0060	0.0070	0.0130	0.0040	0.0050	0.0110	0.0100	0.0070	0.0080	0.0100	0.0060	0.0060	0.0110	0.0110	0.0030	0.0050	0.0020	0.0150	0.0050	0.0090	0.0050	0.0060	0.0100	0.0070	0.0060	0.0050	0.0030
Pro	138.0000	110.0000	94.9000	326.0000	301.0000	211.0000	115.0000	224.0000	122.0000	121.0000	276.0000	583.0000	315.0000	310.0000	330.0000	358.0000	154.0000	258.0000	133.0000	71.4000	90.5000	117.0000	231.0000	182.0000	164.0000	217.0000	153.0000	110.0000	185.0000	204.0000	213.0000	282.0000	177.0000	281.0000	164.0000	210.0000	326.0000	250.0000	318.0000	360.0000	101.0000	172.0000	124.0000	239.0000	138.0000	129.0000	163.0000	137.0000	133.0000	254.0000	213.0000	219.0000	221.0000	383.0000	166.0000	242.0000	116.0000	341.0000	189.0000	155.0000	146.0000	101.0000	218.0000	285.0000	225.0000	243.0000	198.0000	120.0000	115.0000	315.0000	480.0000	364.0000	151.0000	287.0000	213.0000	165.0000	403.0000	110.0000
ProBetaine	2.3300	1.9500	2.6700	3.9300	3.8800	3.3100	2.7700	2.4400	2.0400	2.8300	1.8000	1.4400	0.9890	0.7610	1.1900	1.9200	2.0600	0.9480	0.9030	0.8580	1.5200	1.8900	1.1900	1.1700	2.4700	2.0600	2.3600	2.1400	1.9600	1.0800	1.1300	0.8880	1.0900	1.0200	1.0800	1.0100	1.2000	1.0500	1.2500	3.9000	1.8900	3.1000	2.3500	1.5900	2.5500	2.4600	2.2000	2.4200	2.3100	0.9530	1.7300	1.3600	1.6400	1.1500	0.8160	1.4500	1.1100	1.6200	1.4300	2.9700	2.6700	1.8900	1.9500	2.4200	2.3500	1.9300	2.3700	1.9600	1.7100	1.3600	2.8300	0.9820	1.3900	1.2500	1.1800	1.6100	1.4800	1.4400
Putrescine	2.4700	1.6600	1.9100	2.2500	1.5400	1.7800	1.6500	2.4000	1.6400	2.0600	1.8200	4.9500	1.2300	1.6500	0.8700	1.5100	1.2300	1.1100	1.7500	0.6330	1.1500	1.3900	1.6200	2.3900	1.4400	2.1000	1.7400	1.5000	2.2900	1.5700	1.5000	0.8520	1.6200	1.4300	1.7600	1.8500	1.1500	0.9780	0.4430	2.2700	1.7600	2.4100	2.0900	2.7500	1.5400	2.7700	1.9500	2.0700	2.3400	2.0300	1.9600	2.4400	2.0500	2.2000	1.4400	2.6000	0.8760	2.5000	1.8300	1.4200	2.6900	1.3000	1.2700	1.9000	1.8600	1.2000	1.6000	1.5200	1.8100	0.9300	5.0800	1.6200	1.3100	0.5940	2.2000	1.3700	0.9550	1.0200
Sarcosine	1.7200	0.8790	1.8300	2.2600	1.7800	1.4800	1.8700	1.3600	1.2400	1.7600	2.8600	3.4000	3.0900	2.8400	2.7200	3.3200	1.0400	2.5600	1.1400	0.4740	0.9520	1.1100	2.2500	1.3000	1.9500	1.5500	1.7100	1.2800	1.3400	1.6500	1.8700	3.2900	1.3300	1.6700	1.0200	1.2800	3.8100	4.3400	3.9500	1.9800	0.9880	2.1400	0.9790	1.4000	1.2700	0.7290	1.2200	2.3400	1.5100	1.6300	0.9450	1.3100	1.9000	4.0100	1.6300	1.3800	1.4500	1.8300	2.3500	1.8800	1.1200	1.3600	1.1000	2.5700	2.5900	0.7990	1.9500	1.2300	1.0800	3.4000	3.2300	4.2100	2.4700	3.3600	1.7600	1.8900	5.3200	1.0300
SDMA	0.2100	0.2040	0.2920	0.3160	0.2450	0.2670	0.2120	0.2910	0.1800	0.2310	0.2160	0.4990	0.1860	0.2350	0.1660	0.1960	0.2000	0.1580	0.2510	0.1000	0.1620	0.1870	0.2350	0.3040	0.1890	0.2770	0.2180	0.1970	0.2850	0.2420	0.2640	0.1870	0.3670	0.3240	0.3290	0.3150	0.2170	0.2170	0.1870	0.2760	0.2560	0.3670	0.2850	0.3230	0.2450	0.3250	0.2750	0.2410	0.2810	0.2010	0.2260	0.2370	0.2380	0.2180	0.2120	0.2810	0.2120	0.2920	0.2160	0.2140	0.2880	0.1900	0.2730	0.2790	0.2490	0.2290	0.2580	0.2600	0.2250	0.1860	0.3900	0.1780	0.1640	0.1530	0.2420	0.2370	0.1620	0.1990
Ser	150.0000	141.0000	139.0000	442.0000	376.0000	300.0000	129.0000	223.0000	164.0000	151.0000	227.0000	436.0000	194.0000	252.0000	241.0000	203.0000	162.0000	172.0000	168.0000	85.1000	103.0000	133.0000	184.0000	183.0000	157.0000	206.0000	181.0000	152.0000	174.0000	164.0000	158.0000	184.0000	186.0000	209.0000	183.0000	216.0000	207.0000	227.0000	204.0000	422.0000	159.0000	213.0000	169.0000	174.0000	149.0000	103.0000	197.0000	175.0000	170.0000	192.0000	229.0000	266.0000	206.0000	202.0000	153.0000	244.0000	108.0000	240.0000	148.0000	213.0000	169.0000	145.0000	215.0000	263.0000	198.0000	220.0000	227.0000	165.0000	129.0000	255.0000	245.0000	232.0000	166.0000	202.0000	177.0000	241.0000	411.0000	139.0000
Serotonin																				6.1100	11.8000										9.3800							8.0300																	3.8200																							2.4000
Spermidine	5.9600	3.9100	3.5800	2.9500	2.9900	3.0100	3.8600	6.6100	3.8200	4.1000	2.6900	11.9000	1.0300	2.8600	1.5800	1.9500	1.4400	1.2000	2.9000	1.0500	1.6700	2.2900	2.1400	3.6100	3.6300	3.4800	3.0200	2.1800	3.8800	4.2000	3.4200	1.4100	1.8100	1.3000	1.7600	4.5400	3.1200	1.9100	0.3410	6.4400	2.7700	3.4600	5.1800	7.5800	2.5900	8.9000	3.6100	3.0500	3.8400	1.7800	2.7100	4.1400	1.7900	3.9900	1.7300	3.1600	0.6910	3.9600	1.4700	2.3500	4.7900	1.9100	3.5400	3.3400	4.2800	3.1000	3.6100	1.9600	3.8100	3.0100	6.8000	1.7400	1.8600	1.0800	2.4800	1.0100	1.7400	0.8290
Spermine	0.4640	0.3890	0.3550	0.3030	0.3280	0.3650	0.3240	0.5270	0.4000	0.3550	0.2850	0.4570	0.2330	0.3370	0.2320	0.2620	0.2170	0.2150	0.2870	0.2600	0.2790	0.3250	0.3070	0.4210	0.3390	0.3680	0.3790	0.2890	0.4310	0.3300	0.3430	0.2220	0.2510	0.2070	0.2550	0.3360	0.3360	0.2580	0.1900	0.7350	0.2950	0.3420	0.4890	0.4660	0.3050	0.5730	0.4260	0.3450	0.3730	0.2640	0.2820	0.4890	0.2380	0.4120	0.2450	0.3020	0.2070	0.2870	0.2050	0.3070	0.4480	0.2580	0.3950	0.3770	0.3650	0.3090	0.3510	0.2890	0.3790	0.3130	0.3640	0.2330	0.2730	0.2170	0.2640	0.2110	0.2510	0.2030
t4-OH-Pro	17.2000	19.0000	18.7000	27.9000	23.4000	19.4000	14.3000	21.1000	14.8000	16.9000	4.5200	8.7600	4.5400	5.2000	5.4300	5.5600	3.5800	3.9100	4.7300	7.8000	14.6000	13.4000	26.9000	33.9000	15.9000	24.8000	14.4000	13.5000	23.9000	12.2000	13.0000	16.4000	10.3000	17.3000	9.9100	13.1000	23.3000	19.9000	14.0000	22.9000	20.9000	26.1000	30.8000	14.5000	18.7000	25.9000	17.5000	22.1000	24.7000	15.8000	7.8700	30.8000	11.2000	11.3000	4.6000	12.9000	5.0600	11.0000	7.5400	14.6000	23.9000	11.5000	20.8000	20.8000	18.6000	15.0000	20.7000	19.8000	15.4000	13.7000	8.3600	12.0000	13.9000	13.3000	9.2100	5.6200	21.2000	2.4500
Taurine																																																																														276.0000
Thr	149.0000	158.0000	145.0000	412.0000	378.0000	253.0000	129.0000	272.0000	157.0000	161.0000	344.0000	509.0000	373.0000	412.0000	392.0000	417.0000	211.0000	264.0000	197.0000	79.0000	97.5000	117.0000	218.0000	212.0000	179.0000	232.0000	185.0000	142.0000	192.0000	254.0000	209.0000	310.0000	245.0000	389.0000	289.0000	292.0000	313.0000	311.0000	256.0000	377.0000	123.0000	197.0000	151.0000	259.0000	148.0000	159.0000	170.0000	173.0000	179.0000	238.0000	269.0000	264.0000	208.0000	364.0000	259.0000	315.0000	121.0000	295.0000	228.0000	197.0000	163.0000	127.0000	207.0000	273.0000	213.0000	144.0000	242.0000	197.0000	151.0000	314.0000	349.0000	366.0000	187.0000	249.0000	233.0000	293.0000	469.0000	165.0000
TMAO	6.3300	4.4200	14.7000	11.9000	14.8000	15.1000	5.3000	6.9800	6.9200	6.9900	3.4000	2.6700	2.8400	2.4500	1.6600	1.4400	4.5500	1.5300	3.0700	2.2900	9.7300	4.6400	6.1200	6.4300	12.0000	5.9700	14.8000	5.2300	7.7900	6.1200	9.9300	4.1700	4.2900	16.0000	12.9000	10.3000	3.8400	4.8300	2.1500	9.8200	11.5000	10.7000	3.9700	6.6200	13.7000	3.1000	5.3500	6.8500	7.2900	1.7300	3.0200	2.6200	4.3600	2.9400	0.6760	2.3700	3.6700	4.1800	2.1900	11.3000	12.0000	5.5300	4.6800	6.0900	8.3000	2.6900	13.6000	7.1100	4.5000	3.2500	3.3600	3.5300	2.7100	2.6000	3.0200	3.7400	1.5800	2.5300
Trigonelline	2.6000	2.1700	2.6600	4.7300	4.7400	3.6600	3.2900	1.8700	3.0400	3.4700	0.0830	0.0950	0.0860	0.1140	0.0910	0.1040	0.2220	0.0500	0.1110	1.1000	1.7500	2.6700	0.0980	0.3170	3.0600	1.5000	3.7500	2.7400	1.3700	0.0510	0.0760	0.0850	0.1460	0.0910	0.0600	0.0810	0.0700	0.0790	0.0640	4.0900	1.7700	3.5200	2.7600	0.5990	2.6600	2.2700	2.0600	2.1100	2.2800	0.1140	0.1150	0.0940	0.1820	0.0900	0.0610	0.1150	0.1230	0.0970	0.0720	3.6500	2.4700	2.5400	2.0700	2.7600	2.4200	1.3100	2.8000	2.6500	1.6000	0.0620	0.1630	0.1030	0.1140	0.0970	0.0370	0.0920	0.0950	0.0500
Trp	139.0000	102.0000	134.0000	313.0000	223.0000	204.0000	128.0000	152.0000	127.0000	148.0000	122.0000	128.0000	133.0000	121.0000	160.0000	125.0000	90.2000	99.0000	141.0000	48.4000	102.0000	113.0000	129.0000	159.0000	136.0000	134.0000	135.0000	160.0000	123.0000	78.5000	93.0000	122.0000	126.0000	140.0000	130.0000	107.0000	115.0000	122.0000	73.9000	253.0000	123.0000	180.0000	100.0000	106.0000	111.0000	124.0000	152.0000	128.0000	153.0000	112.0000	131.0000	122.0000	94.3000	88.7000	101.0000	100.0000	76.6000	122.0000	112.0000	115.0000	143.0000	119.0000	145.0000	170.0000	165.0000	164.0000	155.0000	164.0000	144.0000	115.0000	103.0000	146.0000	107.0000	72.6000	96.6000	103.0000	257.0000	80.3000
TrpBetaine	0.0030	0.0150	0.0210	0.1620	0.0240	0.1250	0.0200	0.0130	0.0320	0.0030	0.0100	0.0310	0.0180	0.0210	0.1000	0.0100	0.0190	0.0200	0.0030	0.0080	0.0100	0.0190		0.0280	0.0100	0.0190	0.0300	0.0200	0.0230	0.0070	0.0150	0.0120	0.0090	0.0110	0.0200	0.0090	0.0280		0.0230	0.1210	0.0040		0.0070	0.0100	0.0090	0.0070	0.0200	0.0080	0.0270	0.0160	0.0390	0.0920	0.0280	0.0200	0.0190	0.0160	0.0230	0.1420	0.0320	0.0130	0.0210	0.0160	0.0290	0.0170	0.1000	0.0100	0.0290	0.0260	0.0190	0.0040	0.1160	0.1090		0.0280	0.0120	0.0250	0.2340	0.0190
Tyr	91.1000	76.1000	89.1000	227.0000	181.0000	155.0000	90.4000	115.0000	79.3000	89.4000	115.0000	181.0000	160.0000	164.0000	217.0000	183.0000	60.0000	117.0000	105.0000	41.2000	62.4000	93.0000	129.0000	140.0000	99.8000	118.0000	102.0000	80.2000	122.0000	109.0000	132.0000	179.0000	101.0000	185.0000	103.0000	98.9000	213.0000	183.0000	124.0000	201.0000	80.0000	137.0000	70.4000	93.7000	87.5000	80.4000	91.2000	105.0000	94.7000	160.0000	119.0000	141.0000	114.0000	188.0000	92.2000	145.0000	81.5000	214.0000	145.0000	93.1000	94.0000	76.4000	126.0000	145.0000	139.0000	168.0000	123.0000	92.9000	80.3000	149.0000	131.0000	258.0000	116.0000	122.0000	111.0000	96.2000	295.0000	76.7000
Val	202.0000	168.0000	218.0000	433.0000	334.0000	301.0000	187.0000	267.0000	177.0000	206.0000	284.0000	474.0000	351.0000	365.0000	417.0000	416.0000	197.0000	256.0000	169.0000	82.8000	128.0000	155.0000	251.0000	261.0000	192.0000	247.0000	213.0000	178.0000	219.0000	230.0000	240.0000	355.0000	210.0000	281.0000	192.0000	288.0000	348.0000	331.0000	247.0000	361.0000	161.0000	216.0000	159.0000	235.0000	169.0000	158.0000	198.0000	225.0000	216.0000	277.0000	269.0000	215.0000	258.0000	299.0000	178.0000	300.0000	161.0000	347.0000	247.0000	202.0000	212.0000	166.0000	239.0000	291.0000	287.0000	213.0000	213.0000	207.0000	183.0000	304.0000	372.0000	437.0000	199.0000	236.0000	197.0000	227.0000	541.0000	191.0000
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	pubchem_id	inchi_key	kegg_id	other_id	other_id_type	ri	ri_type	moverz_quant	
1-Met-His									
3-Met-His									
5-AVA									
AABA									
Ac-Orn									
ADMA									
Ala									
alpha-AAA									
Anserine									
Arg									
Asn									
Asp									
BABA									
beta-Ala									
Betaine									
c4-OH-Pro									
Carnosine									
Cit									
Creatinine									
Cys									
Cystine									
DOPA									
Dopamine									
GABA									
Gln									
Glu									
Gly									
HArg									
HCys									
His									
Histamine									
Ile									
Kynurenine									
Leu									
Lys									
Met									
Met-SO									
Nitro-Tyr									
Orn									
PAG									
PEA									
Phe									
PheAlaBetaine									
Pro									
ProBetaine									
Putrescine									
Sarcosine									
SDMA									
Ser									
Serotonin									
Spermidine									
Spermine									
t4-OH-Pro									
Taurine									
Thr									
TMAO									
Trigonelline									
Trp									
TrpBetaine									
Tyr									
Val									
METABOLITES_END
#END