#METABOLOMICS WORKBENCH xpan1020_20240422_033545 DATATRACK_ID:4790 STUDY_ID:ST003203 ANALYSIS_ID:AN005253 PROJECT_ID:PR001997
VERSION             	1
CREATED_ON             	May 14, 2024, 11:24 am
#PROJECT
PR:PROJECT_TITLE                 	Metabolomic investigation of tear fluid biomarkers
PR:PROJECT_SUMMARY               	This project aims to evaluate the impact of consuming zinc biofortified wheat
PR:PROJECT_SUMMARY               	flour on the zinc status and associated health outcomes of vulnerable
PR:PROJECT_SUMMARY               	communities northwest Pakistan. Tear biofluid was collected as a non-invasive
PR:PROJECT_SUMMARY               	method of determining whether zinc supplementation altered tear metabolomic
PR:PROJECT_SUMMARY               	biomarkers.
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
#STUDY
ST:STUDY_TITLE                   	Metabolomic investigation of tear fluid biomarkers obtained from participants
ST:STUDY_TITLE                   	enrolled in the BiZiFED nutrition study
ST:STUDY_SUMMARY                 	Zinc is an essential micronutrient, and its deficiency is particularly prevalent
ST:STUDY_SUMMARY                 	amongst the female population of Pakistan, leading to a substantial health
ST:STUDY_SUMMARY                 	burden on women of reproductive age and their children. Biofortification of
ST:STUDY_SUMMARY                 	wheat with zinc may offer a cost-effective strategy to attempt to improve
ST:STUDY_SUMMARY                 	nutritional status on a national scale. Biofortification with Zinc and Iron for
ST:STUDY_SUMMARY                 	Eliminating Deficiency (BiZiFED) is research program that aims to evaluate the
ST:STUDY_SUMMARY                 	impact of consuming zinc biofortified wheat flour on the zinc status and
ST:STUDY_SUMMARY                 	associated health outcomes of vulnerable communities northwest Pakistan. Of the
ST:STUDY_SUMMARY                 	health outcomes measured, tear biofluid was collected as a non-invasive method
ST:STUDY_SUMMARY                 	of determining whether zinc supplementation altered tear metabolomic biomarkers.
ST:STUDY_SUMMARY                 	In a crossover trial, 25 women of reproductive age received standard,
ST:STUDY_SUMMARY                 	non-biofortified wheat flour, and another 25 women received zinc-biofortified
ST:STUDY_SUMMARY                 	wheat flour for 8 weeks. At the end of this period, the nutritional intervention
ST:STUDY_SUMMARY                 	was switched for a further 8 weeks, whereby those individuals receiving the
ST:STUDY_SUMMARY                 	zinc-biofortified flour subsequently received the standard flour, whilst those
ST:STUDY_SUMMARY                 	receiving standard flour subsequently received the zinc-biofortified flour. The
ST:STUDY_SUMMARY                 	tear biofluid was collected using Schirmer strips after a 2-week baseline period
ST:STUDY_SUMMARY                 	and after 8 weeks and 16 weeks of the study. Metabolomic analysis was conducted
ST:STUDY_SUMMARY                 	using the MxP Quant 500 kit (Biocrates). Following multiple comparisons, four
ST:STUDY_SUMMARY                 	metabolites were significantly correlated with plasma zinc concentration, two
ST:STUDY_SUMMARY                 	demonstrating a positive correlation and two demonstrating a negative
ST:STUDY_SUMMARY                 	correlation. Five metabolites were significantly altered in response to zinc
ST:STUDY_SUMMARY                 	supplementation with biofortified wheat flour. These results highlight the
ST:STUDY_SUMMARY                 	potential of using tear biofluids as an alternative source for metabolomic
ST:STUDY_SUMMARY                 	biomarkers for the assessment of zinc status of individuals enrolled in
ST:STUDY_SUMMARY                 	nutritional studies.
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
#SUBJECT
SU:SUBJECT_TYPE                  	Human
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
SU:GENDER                        	Male and female
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data
SUBJECT_SAMPLE_FACTORS           	-	BZ1F1	Sample source:Tear | Study Arm:1 | Timepoint:Week 2 | PZC (< 660 ug/L):N	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_74_0_1_1_00_1008951918.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_74_1_1_1_00_1008951918.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ1F3	Sample source:Tear | Study Arm:1 | Timepoint:Week 2 | PZC (< 660 ug/L):N	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_86_0_1_1_00_1008951922.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_86_1_1_1_00_1008951922.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ1F11	Sample source:Tear | Study Arm:1 | Timepoint:Week 2 | PZC (< 660 ug/L):Y	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_03_0_1_1_00_1008951937.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_03_1_1_1_00_1008951937.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ1F15	Sample source:Tear | Study Arm:1 | Timepoint:Week 2 | PZC (< 660 ug/L):N	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_15_0_1_1_00_1008951941.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_15_1_1_1_00_1008951941.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ1F17	Sample source:Tear | Study Arm:1 | Timepoint:Week 2 | PZC (< 660 ug/L):Y	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_27_0_1_1_00_1008951956.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_27_1_1_1_00_1008951956.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ1F19	Sample source:Tear | Study Arm:1 | Timepoint:Week 2 | PZC (< 660 ug/L):N	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_39_0_1_1_00_1008951961.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_39_1_1_1_00_1008951961.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ1F23	Sample source:Tear | Study Arm:1 | Timepoint:Week 2 | PZC (< 660 ug/L):Y	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_51_0_1_1_00_1008951975.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_51_1_1_1_00_1008951975.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ1F29	Sample source:Tear | Study Arm:1 | Timepoint:Week 2 | PZC (< 660 ug/L):Y	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_63_0_1_1_00_1008951980.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_63_1_1_1_00_1008951980.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ1F33	Sample source:Tear | Study Arm:1 | Timepoint:Week 2 | PZC (< 660 ug/L):Y	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_75_0_1_1_00_1008951994.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_75_1_1_1_00_1008951994.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ1F35	Sample source:Tear | Study Arm:1 | Timepoint:Week 2 | PZC (< 660 ug/L):N	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_87_0_1_1_00_1008952006.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_87_1_1_1_00_1008952006.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ1F37	Sample source:Tear | Study Arm:1 | Timepoint:Week 2 | PZC (< 660 ug/L):N	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_04_0_1_1_00_1008952011.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_04_1_1_1_00_1008952011.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ1F45	Sample source:Tear | Study Arm:1 | Timepoint:Week 2 | PZC (< 660 ug/L):Y	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_16_0_1_1_00_1008952025.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_16_1_1_1_00_1008952025.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ1F47	Sample source:Tear | Study Arm:1 | Timepoint:Week 2 | PZC (< 660 ug/L):N	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_28_0_1_1_00_1008952030.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_28_1_1_1_00_1008952030.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ1F4	Sample source:Tear | Study Arm:2 | Timepoint:Week 2 | PZC (< 660 ug/L):Y	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_40_0_1_1_00_1008952044.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_40_1_1_1_00_1008952044.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ1F6	Sample source:Tear | Study Arm:2 | Timepoint:Week 2 | PZC (< 660 ug/L):Y	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_52_0_1_1_00_1008952059.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_52_1_1_1_00_1008952059.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ1F8	Sample source:Tear | Study Arm:2 | Timepoint:Week 2 | PZC (< 660 ug/L):Y	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_64_0_1_1_00_1008952063.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_64_1_1_1_00_1008952063.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ1F10	Sample source:Tear | Study Arm:2 | Timepoint:Week 2 | PZC (< 660 ug/L):N	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_76_0_1_1_00_1008952078.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_76_1_1_1_00_1008952078.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ1F14	Sample source:Tear | Study Arm:2 | Timepoint:Week 2 | PZC (< 660 ug/L):Y	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_88_0_1_1_00_1008952082.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_88_1_1_1_00_1008952082.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ1F16	Sample source:Tear | Study Arm:2 | Timepoint:Week 2 | PZC (< 660 ug/L):N	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_05_0_1_1_00_1008952097.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_05_1_1_1_00_1008952097.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ1F18	Sample source:Tear | Study Arm:2 | Timepoint:Week 2 | PZC (< 660 ug/L):N	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_17_0_1_1_00_1008952108.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_17_1_1_1_00_1008952108.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ1F22	Sample source:Tear | Study Arm:2 | Timepoint:Week 2 | PZC (< 660 ug/L):N	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_41_0_1_1_00_1008952112.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_41_1_1_1_00_1008952112.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ1F24	Sample source:Tear | Study Arm:2 | Timepoint:Week 2 | PZC (< 660 ug/L):N	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_53_0_1_1_00_1008952127.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_53_1_1_1_00_1008952127.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ1F26	Sample source:Tear | Study Arm:2 | Timepoint:Week 2 | PZC (< 660 ug/L):N	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_65_0_1_1_00_1008952131.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_65_1_1_1_00_1008952131.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ1F30	Sample source:Tear | Study Arm:2 | Timepoint:Week 2 | PZC (< 660 ug/L):N	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_77_0_1_1_00_1008952146.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_77_1_1_1_00_1008952146.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ1F38	Sample source:Tear | Study Arm:2 | Timepoint:Week 2 | PZC (< 660 ug/L):N	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_89_0_1_1_00_1008952151.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_89_1_1_1_00_1008952151.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ1F42	Sample source:Tear | Study Arm:2 | Timepoint:Week 2 | PZC (< 660 ug/L):N	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_06_0_1_1_00_1008952165.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_06_1_1_1_00_1008952165.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ2F1	Sample source:Tear | Study Arm:1 | Timepoint:Week 10 | PZC (< 660 ug/L):N	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_18_0_1_1_00_1008952170.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_18_1_1_1_00_1008952170.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ2F3	Sample source:Tear | Study Arm:1 | Timepoint:Week 10 | PZC (< 660 ug/L):N	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_30_0_1_1_00_1008952184.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_30_1_1_1_00_1008952184.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ2F11	Sample source:Tear | Study Arm:1 | Timepoint:Week 10 | PZC (< 660 ug/L):Y	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_42_0_1_1_00_1008952199.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_42_1_1_1_00_1008952199.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ2F15	Sample source:Tear | Study Arm:1 | Timepoint:Week 10 | PZC (< 660 ug/L):N	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_54_0_1_1_00_1008952200.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_54_1_1_1_00_1008952200.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ2F17	Sample source:Tear | Study Arm:1 | Timepoint:Week 10 | PZC (< 660 ug/L):Y	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_66_0_1_1_00_1008952214.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_66_1_1_1_00_1008952214.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ2F19	Sample source:Tear | Study Arm:1 | Timepoint:Week 10 | PZC (< 660 ug/L):N	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_78_0_1_1_00_1008952229.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_78_1_1_1_00_1008952229.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ2F23	Sample source:Tear | Study Arm:1 | Timepoint:Week 10 | PZC (< 660 ug/L):Y	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_90_0_1_1_00_1008952233.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_90_1_1_1_00_1008952233.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ2F29	Sample source:Tear | Study Arm:1 | Timepoint:Week 10 | PZC (< 660 ug/L):Y	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_07_0_1_1_00_1008952248.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_07_1_1_1_00_1008952248.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ2F33	Sample source:Tear | Study Arm:1 | Timepoint:Week 10 | PZC (< 660 ug/L):Y	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_19_0_1_1_00_1008952252.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_19_1_1_1_00_1008952252.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ2F35	Sample source:Tear | Study Arm:1 | Timepoint:Week 10 | PZC (< 660 ug/L):N	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_31_0_1_1_00_1008952267.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_31_1_1_1_00_1008952267.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ2F37	Sample source:Tear | Study Arm:1 | Timepoint:Week 10 | PZC (< 660 ug/L):N	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_43_0_1_1_00_1008952271.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_43_1_1_1_00_1008952271.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ2F45	Sample source:Tear | Study Arm:1 | Timepoint:Week 10 | PZC (< 660 ug/L):Y	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_55_0_1_1_00_1008952286.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_55_1_1_1_00_1008952286.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ2F47	Sample source:Tear | Study Arm:1 | Timepoint:Week 10 | PZC (< 660 ug/L):N	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_67_0_1_1_00_1008952291.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_67_1_1_1_00_1008952291.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ2F4	Sample source:Tear | Study Arm:2 | Timepoint:Week 10 | PZC (< 660 ug/L):Y	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_91_0_1_1_00_1008952301.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_91_1_1_1_00_1008952301.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ2F6	Sample source:Tear | Study Arm:2 | Timepoint:Week 10 | PZC (< 660 ug/L):Y	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_08_0_1_1_00_1008952316.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_08_1_1_1_00_1008952316.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ2F8	Sample source:Tear | Study Arm:2 | Timepoint:Week 10 | PZC (< 660 ug/L):Y	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_20_0_1_1_00_1008952321.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_20_1_1_1_00_1008952321.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ2F10	Sample source:Tear | Study Arm:2 | Timepoint:Week 10 | PZC (< 660 ug/L):N	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_32_0_1_1_00_1008952335.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_32_1_1_1_00_1008952335.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ2F14	Sample source:Tear | Study Arm:2 | Timepoint:Week 10 | PZC (< 660 ug/L):Y	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_44_0_1_1_00_1008952340.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_44_1_1_1_00_1008952340.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ2F16	Sample source:Tear | Study Arm:2 | Timepoint:Week 10 | PZC (< 660 ug/L):N	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_56_0_1_1_00_1008952354.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_56_1_1_1_00_1008952354.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ2F18	Sample source:Tear | Study Arm:2 | Timepoint:Week 10 | PZC (< 660 ug/L):N	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_68_0_1_1_00_1008952369.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_68_1_1_1_00_1008952369.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ2F22	Sample source:Tear | Study Arm:2 | Timepoint:Week 10 | PZC (< 660 ug/L):N	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_80_0_1_1_00_1008952373.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_80_1_1_1_00_1008952373.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ2F24	Sample source:Tear | Study Arm:2 | Timepoint:Week 10 | PZC (< 660 ug/L):N	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_92_0_1_1_00_1008952388.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_92_1_1_1_00_1008952388.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ2F26	Sample source:Tear | Study Arm:2 | Timepoint:Week 10 | PZC (< 660 ug/L):N	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_09_0_1_1_00_1008952392.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_09_1_1_1_00_1008952392.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ2F30	Sample source:Tear | Study Arm:2 | Timepoint:Week 10 | PZC (< 660 ug/L):N	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_21_0_1_1_00_1008952403.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_21_1_1_1_00_1008952403.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ2F38	Sample source:Tear | Study Arm:2 | Timepoint:Week 10 | PZC (< 660 ug/L):N	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_33_0_1_1_00_1008952418.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_33_1_1_1_00_1008952418.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ2F42	Sample source:Tear | Study Arm:2 | Timepoint:Week 10 | PZC (< 660 ug/L):N	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_45_0_1_1_00_1008952422.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_45_1_1_1_00_1008952422.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ3F1	Sample source:Tear | Study Arm:1 | Timepoint:Week 18 | PZC (< 660 ug/L):N	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_57_0_1_1_00_1008952437.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_57_1_1_1_00_1008952437.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ3F3	Sample source:Tear | Study Arm:1 | Timepoint:Week 18 | PZC (< 660 ug/L):N	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_69_0_1_1_00_1008952441.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_69_1_1_1_00_1008952441.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ3F11	Sample source:Tear | Study Arm:1 | Timepoint:Week 18 | PZC (< 660 ug/L):Y	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_81_0_1_1_00_1008952456.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_81_1_1_1_00_1008952456.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ3F15	Sample source:Tear | Study Arm:1 | Timepoint:Week 18 | PZC (< 660 ug/L):N	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_93_0_1_1_00_1008952461.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_93_1_1_1_00_1008952461.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ3F17	Sample source:Tear | Study Arm:1 | Timepoint:Week 18 | PZC (< 660 ug/L):Y	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_10_0_1_1_00_1008952475.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_10_1_1_1_00_1008952475.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ3F19	Sample source:Tear | Study Arm:1 | Timepoint:Week 18 | PZC (< 660 ug/L):N	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_22_0_1_1_00_1008952480.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_22_1_1_1_00_1008952480.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ3F23	Sample source:Tear | Study Arm:1 | Timepoint:Week 18 | PZC (< 660 ug/L):Y	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_34_0_1_1_00_1008952494.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_34_1_1_1_00_1008952494.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ3F29	Sample source:Tear | Study Arm:1 | Timepoint:Week 18 | PZC (< 660 ug/L):Y	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_58_0_1_1_00_1008952505.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_58_1_1_1_00_1008952505.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ3F33	Sample source:Tear | Study Arm:1 | Timepoint:Week 18 | PZC (< 660 ug/L):Y	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_70_0_1_1_00_1008952510.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_70_1_1_1_00_1008952510.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ3F35	Sample source:Tear | Study Arm:1 | Timepoint:Week 18 | PZC (< 660 ug/L):N	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_82_0_1_1_00_1008952524.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_82_1_1_1_00_1008952524.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ3F37	Sample source:Tear | Study Arm:1 | Timepoint:Week 18 | PZC (< 660 ug/L):N	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_94_0_1_1_00_1008952539.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_94_1_1_1_00_1008952539.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ3F45	Sample source:Tear | Study Arm:1 | Timepoint:Week 18 | PZC (< 660 ug/L):Y	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_11_0_1_1_00_1008952543.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_11_1_1_1_00_1008952543.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ3F47	Sample source:Tear | Study Arm:1 | Timepoint:Week 18 | PZC (< 660 ug/L):N	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_23_0_1_1_00_1008952558.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_23_1_1_1_00_1008952558.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ3F4	Sample source:Tear | Study Arm:2 | Timepoint:Week 18 | PZC (< 660 ug/L):Y	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_35_0_1_1_00_1008952562.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_35_1_1_1_00_1008952562.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ3F6	Sample source:Tear | Study Arm:2 | Timepoint:Week 18 | PZC (< 660 ug/L):Y	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_47_0_1_1_00_1008952577.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_47_1_1_1_00_1008952577.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ3F8	Sample source:Tear | Study Arm:2 | Timepoint:Week 18 | PZC (< 660 ug/L):Y	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_59_0_1_1_00_1008952581.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_59_1_1_1_00_1008952581.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ3F10	Sample source:Tear | Study Arm:2 | Timepoint:Week 18 | PZC (< 660 ug/L):N	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_71_0_1_1_00_1008952596.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_71_1_1_1_00_1008952596.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ3F14	Sample source:Tear | Study Arm:2 | Timepoint:Week 18 | PZC (< 660 ug/L):Y	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_83_0_1_1_00_1008952607.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_83_1_1_1_00_1008952607.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ3F16	Sample source:Tear | Study Arm:2 | Timepoint:Week 18 | PZC (< 660 ug/L):N	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_95_0_1_1_00_1008952611.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_95_1_1_1_00_1008952611.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ3F18	Sample source:Tear | Study Arm:2 | Timepoint:Week 18 | PZC (< 660 ug/L):N	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_12_0_1_1_00_1008952626.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_12_1_1_1_00_1008952626.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ3F22	Sample source:Tear | Study Arm:2 | Timepoint:Week 18 | PZC (< 660 ug/L):N	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_24_0_1_1_00_1008952631.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_24_1_1_1_00_1008952631.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ3F24	Sample source:Tear | Study Arm:2 | Timepoint:Week 18 | PZC (< 660 ug/L):N	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_36_0_1_1_00_1008952645.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_36_1_1_1_00_1008952645.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ3F26	Sample source:Tear | Study Arm:2 | Timepoint:Week 18 | PZC (< 660 ug/L):N	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_48_0_1_1_00_1008952650.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_48_1_1_1_00_1008952650.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ3F30	Sample source:Tear | Study Arm:2 | Timepoint:Week 18 | PZC (< 660 ug/L):N	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_60_0_1_1_00_1008952664.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_60_1_1_1_00_1008952664.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ3F38	Sample source:Tear | Study Arm:2 | Timepoint:Week 18 | PZC (< 660 ug/L):N	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_72_0_1_1_00_1008952679.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_72_1_1_1_00_1008952679.wiff
SUBJECT_SAMPLE_FACTORS           	-	BZ3F42	Sample source:Tear | Study Arm:2 | Timepoint:Week 18 | PZC (< 660 ug/L):N	RAW_FILE_NAME(Pos raw file name)=MXP500L-0-5812_1008952698_84_0_1_1_00_1008952683.wiff; RAW_FILE_NAME(Neg raw file name)=MXP500L-0-5812_1008952698_84_1_1_1_00_1008952683.wiff
#COLLECTION
CO:COLLECTION_SUMMARY            	Tears were collected on Schirmer tear test strips (4701001, Haag-Streit UK Ltd.,
CO:COLLECTION_SUMMARY            	Essex, UK) from both eyes of the study participants. Briefly, the Schirmer
CO:COLLECTION_SUMMARY            	strips were folded at the notch, before resting the rounded notch in the
CO:COLLECTION_SUMMARY            	inferior conjunctival fornix (inside the lower eyelid) (FIGURE SUPPLEMENTARY
CO:COLLECTION_SUMMARY            	1A). Participants were given the option to close their eyes. The Schirmer strips
CO:COLLECTION_SUMMARY            	were removed when the strips became saturated with tear fluid, or once 5 minutes
CO:COLLECTION_SUMMARY            	had passed, whichever came first. The strips were shipped to QUB at ambient
CO:COLLECTION_SUMMARY            	temperature, and stored at -80°C prior to analysis .
CO:SAMPLE_TYPE                   	Tear
#TREATMENT
TR:TREATMENT_SUMMARY             	In brief, a total of 50 households, with at least one 16-49 year-old woman, who
TR:TREATMENT_SUMMARY             	was neither pregnant nor breastfeeding nor consuming additional nutritional
TR:TREATMENT_SUMMARY             	supplementation, were randomly selected for the study. The selected households
TR:TREATMENT_SUMMARY             	were provided with either freshly-milled Zincol-2016/NR-421 grain (genetically
TR:TREATMENT_SUMMARY             	and agronomically Zn-biofortified) or Galaxy-2013 grain (control), with the
TR:TREATMENT_SUMMARY             	intention that these were the only flours to be consumed for the duration of the
TR:TREATMENT_SUMMARY             	study. A two-week baseline period was established with control flour, before the
TR:TREATMENT_SUMMARY             	households were randomly separated into two groups for the purposes of the
TR:TREATMENT_SUMMARY             	study, one which received Zincol-2016/NR-421 grain for eight weeks and then
TR:TREATMENT_SUMMARY             	Galaxy-2013 control grain for eight weeks, whilst the other received control
TR:TREATMENT_SUMMARY             	grain for eight weeks followed by Zn-biofortified grain. Where possible, blood
TR:TREATMENT_SUMMARY             	and tear samples were collected at the 2-week (baseline), 10-week and 18-week
TR:TREATMENT_SUMMARY             	time points of the study. Then tear samples from study participants were
TR:TREATMENT_SUMMARY             	selected based on the zinc status of the individual at the baseline timepoint.
TR:TREATMENT_SUMMARY             	Plasma zinc concentration is the most commonly used marker of zinc status and a
TR:TREATMENT_SUMMARY             	value of 660 µgZn/L was used as the threshold below which a participant was
TR:TREATMENT_SUMMARY             	categorized as zinc deficient.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	One Schirmer strip from each participant at each timepoint was cut into 5 mm
SP:SAMPLEPREP_SUMMARY            	sections, up until the tear front was reached, and placed into sterile tubes. A
SP:SAMPLEPREP_SUMMARY            	length-adjusted volume of ice-cold 80% methanol was then added to each tube (500
SP:SAMPLEPREP_SUMMARY            	µL per 46 mm Schirmer strip). Strips were vigorously vortexed in the extraction
SP:SAMPLEPREP_SUMMARY            	solution for 2 mins before centrifugation at 15,700 RCF at 4°C. Supernatant was
SP:SAMPLEPREP_SUMMARY            	transferred to a fresh, clean tube and stored at -80°C before analysis.
SP:SAMPLEPREP_SUMMARY            	Targeted metabolomics profiling was performed using a commercially available
SP:SAMPLEPREP_SUMMARY            	kit, MxP® Quant500 kit as instructed.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Biocrates MxP Quant500 kit column, Product number: 21117.2
CH:CHROMATOGRAPHY_SUMMARY        	(https://shop.biocrates.com/21117.2)
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	AB Sciex5500+
CH:COLUMN_NAME                   	Biocrates MxP Quant500 (XL) Kit column system
CH:SOLVENT_A                     	100% Water; 0.2% formic acid
CH:SOLVENT_B                     	100% Acetonitrile; 0.2% formic acid
CH:FLOW_GRADIENT                 	0.8ml/min: 0-0.25min: 0%B, 0.25-1.5min: 12%B, 1.5-2.7min: 17.5%B, 2.7-4min:
CH:FLOW_GRADIENT                 	50%B, 4-4.5min: 100%B, 1ml/min: 4.5-4.7min: 100%B, 4.7-5.0min: 100%B,
CH:FLOW_GRADIENT                 	5.0-5.1min: 100%B, 0.8ml/min: 5.1-5.8min: 100%B
CH:FLOW_RATE                     	0.8-1ml/min
CH:COLUMN_TEMPERATURE            	50
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	ABI Sciex 5500+
MS:INSTRUMENT_TYPE               	Triple quadrupole
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	ESI positive acquisition. Data were acquired using Analyst and processed using
MS:MS_COMMENTS                   	the MetIDQ software.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	uM
MS_METABOLITE_DATA_START
Samples	BZ1F1	BZ1F3	BZ1F11	BZ1F15	BZ1F17	BZ1F19	BZ1F23	BZ1F29	BZ1F33	BZ1F35	BZ1F37	BZ1F45	BZ1F47	BZ1F4	BZ1F6	BZ1F8	BZ1F10	BZ1F14	BZ1F16	BZ1F18	BZ1F22	BZ1F24	BZ1F26	BZ1F30	BZ1F38	BZ1F42	BZ2F1	BZ2F3	BZ2F11	BZ2F15	BZ2F17	BZ2F19	BZ2F23	BZ2F29	BZ2F33	BZ2F35	BZ2F37	BZ2F45	BZ2F47	BZ2F4	BZ2F6	BZ2F8	BZ2F10	BZ2F14	BZ2F16	BZ2F18	BZ2F22	BZ2F24	BZ2F26	BZ2F30	BZ2F38	BZ2F42	BZ3F1	BZ3F3	BZ3F11	BZ3F15	BZ3F17	BZ3F19	BZ3F23	BZ3F29	BZ3F33	BZ3F35	BZ3F37	BZ3F45	BZ3F47	BZ3F4	BZ3F6	BZ3F8	BZ3F10	BZ3F14	BZ3F16	BZ3F18	BZ3F22	BZ3F24	BZ3F26	BZ3F30	BZ3F38	BZ3F42
Factors	Sample source:Tear | Study Arm:1 | Timepoint:Week 2 | PZC (< 660 ug/L):N	Sample source:Tear | Study Arm:1 | Timepoint:Week 2 | PZC (< 660 ug/L):N	Sample source:Tear | Study Arm:1 | Timepoint:Week 2 | PZC (< 660 ug/L):Y	Sample source:Tear | Study Arm:1 | Timepoint:Week 2 | PZC (< 660 ug/L):N	Sample source:Tear | Study Arm:1 | Timepoint:Week 2 | PZC (< 660 ug/L):Y	Sample source:Tear | Study Arm:1 | Timepoint:Week 2 | PZC (< 660 ug/L):N	Sample source:Tear | Study Arm:1 | Timepoint:Week 2 | PZC (< 660 ug/L):Y	Sample source:Tear | Study Arm:1 | Timepoint:Week 2 | PZC (< 660 ug/L):Y	Sample source:Tear | Study Arm:1 | Timepoint:Week 2 | PZC (< 660 ug/L):Y	Sample source:Tear | Study Arm:1 | Timepoint:Week 2 | PZC (< 660 ug/L):N	Sample source:Tear | Study Arm:1 | Timepoint:Week 2 | PZC (< 660 ug/L):N	Sample source:Tear | Study Arm:1 | Timepoint:Week 2 | PZC (< 660 ug/L):Y	Sample source:Tear | Study Arm:1 | Timepoint:Week 2 | PZC (< 660 ug/L):N	Sample source:Tear | Study Arm:2 | Timepoint:Week 2 | PZC (< 660 ug/L):Y	Sample source:Tear | Study Arm:2 | Timepoint:Week 2 | PZC (< 660 ug/L):Y	Sample source:Tear | Study Arm:2 | Timepoint:Week 2 | PZC (< 660 ug/L):Y	Sample source:Tear | Study Arm:2 | Timepoint:Week 2 | PZC (< 660 ug/L):N	Sample source:Tear | Study Arm:2 | Timepoint:Week 2 | PZC (< 660 ug/L):Y	Sample source:Tear | Study Arm:2 | Timepoint:Week 2 | PZC (< 660 ug/L):N	Sample source:Tear | Study Arm:2 | Timepoint:Week 2 | PZC (< 660 ug/L):N	Sample source:Tear | Study Arm:2 | Timepoint:Week 2 | PZC (< 660 ug/L):N	Sample source:Tear | Study Arm:2 | Timepoint:Week 2 | PZC (< 660 ug/L):N	Sample source:Tear | Study Arm:2 | Timepoint:Week 2 | PZC (< 660 ug/L):N	Sample source:Tear | Study Arm:2 | Timepoint:Week 2 | PZC (< 660 ug/L):N	Sample source:Tear | Study Arm:2 | Timepoint:Week 2 | PZC (< 660 ug/L):N	Sample source:Tear | Study Arm:2 | Timepoint:Week 2 | PZC (< 660 ug/L):N	Sample source:Tear | Study Arm:1 | Timepoint:Week 10 | PZC (< 660 ug/L):N	Sample source:Tear | Study Arm:1 | Timepoint:Week 10 | PZC (< 660 ug/L):N	Sample source:Tear | Study Arm:1 | Timepoint:Week 10 | PZC (< 660 ug/L):Y	Sample source:Tear | Study Arm:1 | Timepoint:Week 10 | PZC (< 660 ug/L):N	Sample source:Tear | Study Arm:1 | Timepoint:Week 10 | PZC (< 660 ug/L):Y	Sample source:Tear | Study Arm:1 | Timepoint:Week 10 | PZC (< 660 ug/L):N	Sample source:Tear | Study Arm:1 | Timepoint:Week 10 | PZC (< 660 ug/L):Y	Sample source:Tear | Study Arm:1 | Timepoint:Week 10 | PZC (< 660 ug/L):Y	Sample source:Tear | Study Arm:1 | Timepoint:Week 10 | PZC (< 660 ug/L):Y	Sample source:Tear | Study Arm:1 | Timepoint:Week 10 | PZC (< 660 ug/L):N	Sample source:Tear | Study Arm:1 | Timepoint:Week 10 | PZC (< 660 ug/L):N	Sample source:Tear | Study Arm:1 | Timepoint:Week 10 | PZC (< 660 ug/L):Y	Sample source:Tear | Study Arm:1 | Timepoint:Week 10 | PZC (< 660 ug/L):N	Sample source:Tear | Study Arm:2 | Timepoint:Week 10 | PZC (< 660 ug/L):Y	Sample source:Tear | Study Arm:2 | Timepoint:Week 10 | PZC (< 660 ug/L):Y	Sample source:Tear | Study Arm:2 | Timepoint:Week 10 | PZC (< 660 ug/L):Y	Sample source:Tear | Study Arm:2 | Timepoint:Week 10 | PZC (< 660 ug/L):N	Sample source:Tear | Study Arm:2 | Timepoint:Week 10 | PZC (< 660 ug/L):Y	Sample source:Tear | Study Arm:2 | Timepoint:Week 10 | PZC (< 660 ug/L):N	Sample source:Tear | Study Arm:2 | Timepoint:Week 10 | PZC (< 660 ug/L):N	Sample source:Tear | Study Arm:2 | Timepoint:Week 10 | PZC (< 660 ug/L):N	Sample source:Tear | Study Arm:2 | Timepoint:Week 10 | PZC (< 660 ug/L):N	Sample source:Tear | Study Arm:2 | Timepoint:Week 10 | PZC (< 660 ug/L):N	Sample source:Tear | Study Arm:2 | Timepoint:Week 10 | PZC (< 660 ug/L):N	Sample source:Tear | Study Arm:2 | Timepoint:Week 10 | PZC (< 660 ug/L):N	Sample source:Tear | Study Arm:2 | Timepoint:Week 10 | PZC (< 660 ug/L):N	Sample source:Tear | Study Arm:1 | Timepoint:Week 18 | PZC (< 660 ug/L):N	Sample source:Tear | Study Arm:1 | Timepoint:Week 18 | PZC (< 660 ug/L):N	Sample source:Tear | Study Arm:1 | Timepoint:Week 18 | PZC (< 660 ug/L):Y	Sample source:Tear | Study Arm:1 | Timepoint:Week 18 | PZC (< 660 ug/L):N	Sample source:Tear | Study Arm:1 | Timepoint:Week 18 | PZC (< 660 ug/L):Y	Sample source:Tear | Study Arm:1 | Timepoint:Week 18 | PZC (< 660 ug/L):N	Sample source:Tear | Study Arm:1 | Timepoint:Week 18 | PZC (< 660 ug/L):Y	Sample source:Tear | Study Arm:1 | Timepoint:Week 18 | PZC (< 660 ug/L):Y	Sample source:Tear | Study Arm:1 | Timepoint:Week 18 | PZC (< 660 ug/L):Y	Sample source:Tear | Study Arm:1 | Timepoint:Week 18 | PZC (< 660 ug/L):N	Sample source:Tear | Study Arm:1 | Timepoint:Week 18 | PZC (< 660 ug/L):N	Sample source:Tear | Study Arm:1 | Timepoint:Week 18 | PZC (< 660 ug/L):Y	Sample source:Tear | Study Arm:1 | Timepoint:Week 18 | PZC (< 660 ug/L):N	Sample source:Tear | Study Arm:2 | Timepoint:Week 18 | PZC (< 660 ug/L):Y	Sample source:Tear | Study Arm:2 | Timepoint:Week 18 | PZC (< 660 ug/L):Y	Sample source:Tear | Study Arm:2 | Timepoint:Week 18 | PZC (< 660 ug/L):Y	Sample source:Tear | Study Arm:2 | Timepoint:Week 18 | PZC (< 660 ug/L):N	Sample source:Tear | Study Arm:2 | Timepoint:Week 18 | PZC (< 660 ug/L):Y	Sample source:Tear | Study Arm:2 | Timepoint:Week 18 | PZC (< 660 ug/L):N	Sample source:Tear | Study Arm:2 | Timepoint:Week 18 | PZC (< 660 ug/L):N	Sample source:Tear | Study Arm:2 | Timepoint:Week 18 | PZC (< 660 ug/L):N	Sample source:Tear | Study Arm:2 | Timepoint:Week 18 | PZC (< 660 ug/L):N	Sample source:Tear | Study Arm:2 | Timepoint:Week 18 | PZC (< 660 ug/L):N	Sample source:Tear | Study Arm:2 | Timepoint:Week 18 | PZC (< 660 ug/L):N	Sample source:Tear | Study Arm:2 | Timepoint:Week 18 | PZC (< 660 ug/L):N	Sample source:Tear | Study Arm:2 | Timepoint:Week 18 | PZC (< 660 ug/L):N
Trigonelline	0.037	0.043	0.06	0.084	0.057	0.042	0.097	0.056	0.146	0.053	0.072	0.047	0.076	0.041	0.039	0.118	0.04	0.074	0.1	0.11	0.034	0.039	0.128	0.037	0.07	0.087	0.027	0.039	0.042	0.02	0.039	0.064	0.07	0.021	0.038	0.045	0.045	0.052	0.044	0.051	0.025	0.087	0.058	0.044	0.077	0.077	0.046	0.081	0.051	0.031	0.078	0.041	0.08	0.038	0.036	0.063	0.031	0.067	0.132	0.121	0.033	0.041	0.066	0.041	0.055	0.053	0.053	0.07	0.038	0.019	0.052	0.059	0.03	0.038	0.055	0.083	0.033	0.084
TMAO	0.083	0.2	0.071	0.058	0.058	0.097	0.059	0.053	0.04	0.077	0.053	0.083	0.087	0.07	0.101	0.059	0.063	0.13	0.08	0.072	0.062	0.085	0.109	0.12	0.097	0.053	0.06	0.129	0.083	0.073	0.052	0.082	0.071	0.047	0.044	0.066	0.022	0.097	0.053	0.066	0.102	0.076	0.11	0.122	0.102	0.092	0.043	0.096	0.114	0.062	0.085	0.092	0.08	0.078	0.066	0.048	0.057	0.06	0.075	0.066	0.08	0.061	0.05	0.068	0.056	0.08	0.103	0.071	0.064	0.092	0.081	0.09	0.063	0.103	0.093	0.127	0.097	0.061
Ala	2.22	9.34	2.23	0	12.8	13.1	0	0.534	0	6.02	9.16	3.02	2.86	4.55	4.6	1.25	9.96	3.28	3.12	0	0	2.38	0.967	1.72	0.907	0	0	4.01	0	3.45	11	14.4	0	1.51	0.9	1.35	8.08	0	2.17	1.18	7.23	0.847	5.23	9.28	3.22	11.2	1.43	1.53	0.601	4.2	4.92	6.09	2.42	2.73	3.34	5.53	4.48	29.4	0	1.8	0.086	0	11.9	1.28	0.788	0	9.51	0	0.71	12.1	0	0	2.49	3.33	0	2.97	2.29	0
Arg	0.005	0.391	0.16	0	0.564	0.442	0	0.134	0	0.311	2.28	0.755	0.13	0.336	0.172	0.265	0	0.167	0.361	0	0	0.1	0.149	0.164	0	0	0	0.463	0	0.717	1.53	0.811	0	0.213	0.052	0.155	1.6	0.007	0.201	0.14	0.364	0.077	0.488	1.03	0	1.28	0.254	0.164	0.151	0.322	0.309	0.257	0.294	0.404	0.309	1.56	0.76	1.49	0	0.712	0.158	0.379	2.12	0.121	0.587	0	0.745	0	0	0.64	0	0	0.234	0.537	0	0	0.277	0.146
Asn	0.278	0.788	0.273	0.335	1.05	1.02	0.262	0.647	0.292	0.447	0.423	0.707	0.657	0.813	0.658	0.316	0.994	0.816	0.868	0.26	0.336	0.372	0.397	0.261	0.291	0.301	0.184	0.273	0.175	0.506	0.655	1.18	0.394	0.651	0.356	0.405	0.368	0.389	0.445	0.665	0.89	0.299	0.486	0.964	0.371	1.25	0.721	0.498	0.42	0.339	0.502	0.465	0.266	0.505	0.218	0.727	0.455	2.21	0.09	0.492	0.407	0.197	1.1	0.425	0.256	0.331	0.894	0.315	0.211	1.27	0.255	0.243	0.386	0.355	0.333	0.225	0.396	0.298
Asp	1.88	6.19	2.61	0.753	5.82	5.08	1.76	1.87	1.01	3.72	3.42	1.63	2.47	2.25	2.41	1.9	4.22	2.8	3.89	1.07	1.09	2.94	2.04	1.78	1.53	1.34	0.771	2.34	1.35	2.77	4.3	5.07	1.13	2.55	2.34	1.72	3.84	0.932	2.61	1.54	2.93	1.85	3.7	4.23	2.78	7.88	2.29	2.37	2.57	2.24	3.3	4.71	2.11	2.37	3.28	3.37	2.59	11.5	0.727	1.83	1.67	1.27	5.68	2	2.36	1.58	3.85	1.07	1.88	6.47	0.734	1.32	2.3	2.58	1.02	1.77	2.37	1.56
Cys	0.009	0.048	0.027	0.049	0.039	0.028	0.046	0	0.012	0.016	0.024	0.046	0.024	0.086	0.027	0.015	0.022	0.008	0.082	0.025	0.024	0.007	0.013	0	0.038	0.047	0.055	0.025	0.042	0.029	0.025	0.078	0.035	0.054	0	0.039	0.022	0.039	0.007	0.016	0.032	0.04	0.068	0.172	0.022	0.046	0.032	0	0.028	0.039	0.039	0.017	0.043	0.032	0	0.033	0.043	0.098	0.024	0.044	0.005	0.05	0.194	0.052	0.052	0.015	0.042	0.023	0.029	0.084	0.026	0.011	0.014	0.014	0.028	0.033	0.025	0.013
Gln	1.39	7.13	1.25	0.121	6.94	7.61	0.444	0.741	0	4.15	3.4	1.72	3.03	3.94	2.65	0.819	4.98	2.89	1.07	1.25	1.02	3.68	1.14	1.29	1.73	0.228	0.121	1.16	0.528	1.89	2.79	5.17	0.394	0.285	0.4	0.994	2.26	0.507	1.07	1.83	5.29	1.03	4.13	5.95	0.09	2.13	0.932	0.829	1.34	1.6	3.6	1.66	1.65	1.66	2.72	2.19	2.62	12.6	0.16	2.23	0.854	0	4.57	0.713	1.24	0.558	3.91	0.24	1.58	7.92	0	0.727	3.29	3.5	0.819	1.84	2.51	1.01
Glu	4.7	11.2	5.85	1.12	17.2	10.6	3.15	3.67	1.26	6.32	7.14	4.29	6.53	6.31	7.01	3.08	9.41	6	4.01	2.33	2.3	6.02	4.78	3.73	3.39	1.82	1.8	4.07	2.12	5.97	9.39	14	1.69	3.6	2.33	4.46	6.82	2.12	6.47	4.35	7.21	3.58	8.15	9.51	2.08	7.73	4.62	3.42	4.77	5.29	7.34	3.86	4.65	4.66	5.53	7.61	8.02	22.2	1.96	4.63	2.28	1.64	12.4	3.29	3.9	2.13	8.3	2.17	5.09	14.9	1.71	2.81	5.12	5.34	2.84	5.03	4.21	3.02
Gly	5.35	7.16	2.23	1.69	9.03	9.05	1.59	1.94	1	7.12	5.27	3.13	2.7	4.9	3.12	2.95	12.8	3.61	3.49	1.31	1.91	18.2	2.58	2.85	2.17	1.23	0.777	2.99	1.24	3.97	13.4	10.1	1.83	3.14	1.74	2.88	7.28	1.08	2.45	3.55	4.31	2.62	4.34	7.4	3.65	7.1	6.18	2.81	2.71	3.26	4.88	4.44	3.01	3.65	14	7.07	6.25	23.7	1.07	3.91	3.33	3.91	11.4	2.48	4.07	1.38	6.35	1.24	3.34	9.13	1.19	1.68	4.26	3.26	1.51	42.6	2.6	2.14
His	0.467	0.239	0.229	0.242	0.272	0.303	0.411	0.241	0.213	0.4	0.269	0.24	0.219	0.258	0.204	0.222	0.267	0.242	0.231	0.233	0.288	0.207	0.222	0.266	0.226	0.233	0.208	0.219	0.214	0.237	0.247	0.231	0.205	0.218	0.229	0.458	0.238	0.216	0.217	0.222	0.261	0.234	0.297	0.301	0.236	0.255	0.222	0.242	0.228	0.268	0.224	0.255	0.312	0.278	0.239	0.354	0.371	0.324	0.234	0.368	0.256	0.558	0.313	0.255	0.311	0.262	0.263	0.267	0.217	0.281	0.254	0.229	0.232	0.336	0.245	0.223	0.232	0.239
Ile	0.746	0.829	0.65	0.61	0.701	1.32	0.375	0.58	0.365	0.928	1.37	0.869	0.854	0.45	1.14	0.946	0.571	0.553	1.08	0.643	0.39	0.722	0.637	0.822	0.801	0.498	0.371	0.765	0.537	1.1	1.25	1.32	0.576	0.886	0.866	0.581	1.33	0.499	0.412	0.727	0.767	0.826	0.989	1.23	1.43	2.64	0.87	0.925	0.446	0.958	0.687	1.82	0.863	0.726	0.987	1.22	0.75	3.2	0.281	0.854	0.59	0.494	1.98	0.65	0.635	0.471	1.22	0.376	0.569	1.15	0.515	0.571	0.699	0.703	0.607	0.689	0.874	0.596
Leu	1.6	1.94	1.61	1.33	2	2.3	0.844	1.09	0.933	1.7	2.18	1.46	1.62	1.36	2.38	1.33	1.33	1.46	1.91	1.59	1.12	1.72	1.18	1.8	1.94	1.12	1.17	1.32	2.02	1.98	1.51	2.79	1.11	1.44	1.42	1.48	2.1	1.9	1.45	1.27	1.75	1.24	2.12	2.26	1.61	4.17	2.19	2.17	1.36	1.33	1.21	1.72	1.35	1.77	1.62	2.28	1.75	4.08	1.1	1.25	0.93	0.803	2.22	1.57	1.12	0.812	2.42	1.47	1.16	2.36	1.2	1.09	1.29	1.18	1.16	1.14	1.43	1.35
Lys	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Met	0.71	0.696	0.704	0.698	0.713	0.702	0.714	0.703	0.701	0.698	0.704	0.715	0.697	0.716	0.706	0.724	0.709	0.698	0.744	0.701	0.692	0.697	0.702	0.697	0.693	0.704	0.704	0.699	0.7	0.692	0.704	0.713	0.709	0.704	0.707	0.706	0.702	0.701	0.707	0.704	0.697	0.718	0.711	0.727	0.705	0.699	0.703	0.706	0.708	0.708	0.707	0.709	0.697	0.71	0.701	0.702	0.704	0.699	0.691	0.704	0.709	0.699	0.71	0.712	0.704	0.699	0.703	0.7	0.701	0.702	0.703	0.697	0.704	0.712	0.706	0.701	0.698	0.714
Phe	0	0.461	0.048	0	0.508	0.576	0	0	0	0.274	0.525	0.317	0.195	0.052	0.55	0.031	0.052	0.065	0.3	0	0	0.147	0.039	0.086	0.052	0	0	0.16	0	0.345	0.432	1.12	0	0	0.048	0.01	0.474	0.033	0.052	0.043	0.452	0.102	0.421	0.338	0.321	0.885	0.16	0.429	0.101	0.222	0.286	0.231	0.198	0.323	0.287	0.256	0.207	1.54	0	0	0	0	0.758	0.059	0.028	0	0.505	0	0	0.721	0	0	0.014	0.163	0.005	0.046	0	0
Pro	1.53	2.24	1.44	0.223	2.68	3.6	2.15	1.14	0.431	1.93	3.52	1.95	2.09	1.57	2.7	1.59	1.59	1.37	1.9	1.15	0.746	0.943	2.6	1.48	1.24	1.67	0.892	1.6	0.921	1.95	3.1	4.07	2.01	0.9	1.86	1.08	2.52	2.31	1.36	1.39	2.77	1.72	2.9	2.04	2.1	4.02	1.67	2.4	1.29	2.24	1.75	3.17	2.2	1.73	1.92	1.68	1.66	6.17	1.36	1.02	0.933	0.513	4.44	2.53	1.28	0.915	2.7	1.15	0.578	4.27	0.615	1.16	1.6	1.39	1.26	2.02	1.08	0.511
Ser	5.17	3.57	2.07	1.09	4.78	7.34	2.26	2.71	1.26	4.74	7.01	3.72	1.77	2.57	2.52	3.6	4.05	2.54	5.1	1.34	1.83	1.56	2.41	2.18	1.48	1.58	1.15	3.33	1.94	3.92	12.6	7.41	2.09	3.31	3.52	4.12	9.68	1.61	1.9	1.76	2.74	3.24	3.56	7.03	5.77	14.3	3.2	4.53	2.12	3.48	3.39	9.98	3.44	2.4	3.05	8.2	5.85	26.2	1.17	3.43	2.7	4.18	10.4	3.11	3.14	2.35	5.77	1.99	1.3	5.34	1.33	1.98	2.42	3.61	1.4	1.92	2.5	1.87
Thr	1.06	1.19	0.551	0.221	1.11	1.86	0.459	0.562	0.195	1.23	1.72	0.892	0.637	0.831	0.989	0.738	1.17	0.742	1.29	0.434	0.379	0.502	0.623	0.535	0.391	0.291	0.197	0.863	0.467	0.844	2.69	2.06	0.409	0.581	0.821	0.989	2.06	0.403	0.522	0.395	1.12	0.802	0.824	1.75	1.28	3.5	0.689	0.905	0.582	0.753	0.848	2.36	0.724	0.559	0.844	1.6	1.23	6.27	0.234	0.615	0.521	0.858	2.4	0.805	0.727	0.522	1.57	0.425	0.269	1.81	0.261	0.436	0.501	0.801	0.321	0.512	0.585	0.297
Trp	0.07	0.123	0.056	0.002	0.163	0.199	0.036	0.085	0.007	0.097	0.367	0.148	0.059	0.081	0.169	0.069	0.014	0.138	0.294	0.03	0.061	0.051	0.097	0.047	0.027	0.035	0	0.137	0.037	0.145	0.215	0.168	0.017	0.025	0.045	0.055	0.18	0.012	0.01	0.045	0.049	0.078	0.105	0.211	0.05	0.423	0.079	0.069	0.011	0.042	0.057	0.257	0.171	0.101	0.1	0.326	0.229	0.451	0.042	0.079	0.069	0.092	0.449	0.197	0.088	0.067	0.267	0.021	0.004	0.285	0	0.002	0.065	0.109	0.053	0.076	0.048	0.033
Tyr	0.56	0.863	0.557	0.266	0.783	1.3	0.309	0.575	0.221	0.892	1.35	0.662	0.57	0.449	0.919	0.637	0.637	0.461	0.826	0.227	0.256	0.566	0.583	0.564	0.465	0.284	0.243	0.861	0.415	0.779	1.62	1.53	0.356	0.635	0.688	0.456	1.27	0.306	0.441	0.378	0.902	0.607	0.873	1.05	0.93	2.4	0.656	0.926	0.423	0.755	0.659	1.3	0.678	0.554	0.863	1.17	0.877	3.03	0.24	0.436	0.368	0.418	1.43	0.555	0.574	0.391	1.17	0.337	0.271	1.31	0.196	0.301	0.412	0.579	0.262	0.392	0.463	0.358
Val	0.606	1.65	0.315	0	1.34	2.12	0.018	0.432	0	1.14	1.95	0.775	0.691	0.409	1.54	0.736	0.73	0.363	1.33	0	0	0.581	0.447	0.479	0.558	0	0	0.69	0.112	0.903	2.37	2.21	0.094	0.584	0.666	0.293	1.85	0.088	0.192	0.16	1.56	0.651	1.79	1.39	1.56	3.63	0.446	0.97	0.296	0.918	0.813	1.96	0.835	0.551	0.996	1.46	0.934	5.8	0	0.313	0.035	0.135	2.92	0.423	0.323	0	1.93	0.061	0.054	1.94	0	0	0.271	0.472	0.014	0.411	0.352	0.012
1-Met-His	0.001	0.001	0.005	0	0.002	0.005	0.001	0.004	0.003	0.005	0.002	0.002	0.003	0.001	0.004	0.002	0.003	0.002	0.002	0.001	0.001	0.002	0.001	0.006	0.002	0.001	0.002	0.001	0.003	0.002	0.003	0.003	0.003	0.001	0.001	0.001	0	0.004	0.001	0.003	0.001	0.001	0	0.009	0.005	0.006	0.001	0.002	0.001	0.004	0.001	0.009	0.001	0.002	0.003	0.005	0.002	0.005	0.003	0.003	0.002	0.003	0.004	0.001	0.003	0.002	0.002	0.002	0	0.006	0	0.001	0.004	0.004	0.001	0.005	0.003	0.002
3-Met-His	0.001	0.007	0.004	0.001	0	0.007	0.002	0.006	0.006	0.004	0.006	0.005	0	0.004	0.002	0	0.002	0	0	0	0.002	0.005	0.002	0.002	0	0.004	0.001	0	0.011	0.002	0.004	0.005	0.003	0.002	0.003	0.001	0.01	0.004	0.002	0.008	0.004	0.006	0.004	0.003	0.001	0.001	0.001	0.001	0.002	0.001	0.011	0.008	0.003	0.004	0.004	0.003	0.001	0.008	0	0.001	0.002	0	0.007	0	0.01	0.009	0.002	0.002	0.005	0.019	0.001	0.003	0.002	0.001	0	0	0	0.003
5-AVA	0.013	0.016	0.015	0.071	0.022	0.015	0.01	0.008	0.011	0.014	0.017	0.012	0.012	0.015	0.011	0.013	0.022	0.013	0.021	0.008	0.01	0.009	0.017	0.01	0.012	0.011	0.008	0.058	0.008	0.016	0.016	0.021	0.01	0.013	0.011	0.012	0.018	0.012	0.008	0.01	0.014	0.038	0.015	0.012	0.11	0.169	0.009	0.021	0.015	0.017	0.013	0.014	0.01	0.012	0.012	0.012	0.013	0.018	0.01	0.013	0.014	0.011	0.016	0.013	0.013	0.009	0.012	0.04	0.013	0.012	0.007	0.011	0.011	0.011	0.011	0.013	0.013	0.008
AABA	0.56	0.598	0.516	0.44	0.687	0.654	0.558	0.545	0.466	0.6	0.468	0.477	0.538	0.527	0.576	0.514	0.578	0.551	0.439	0.465	0.567	0.644	0.52	0.545	0.519	0.442	0.404	0.491	0.432	0.521	0.594	0.571	0.409	0.547	0.459	0.521	0.455	0.481	0.521	0.512	0.554	0.459	0.571	0.568	0.489	0.504	0.453	0.51	0.489	0.46	0.599	0.451	0.464	0.447	0.476	0.455	0.598	0.62	0.481	0.57	0.45	0.473	0.646	0.449	0.544	0.46	0.68	0.505	0.535	0.67	0.447	0.472	0.493	0.461	0.503	0.541	0.498	0.43
Ac-Orn	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
ADMA	0.048	0.048	0.03	0.033	0.03	0.051	0.072	0.048	0.043	0.021	0.095	0.093	0.083	0.057	0.069	0.035	0.038	0.1	0.098	0.078	0.042	0.01	0.023	0.053	0.08	0.082	0.049	0.041	0.041	0.085	0.035	0.025	0.051	0.046	0.039	0.027	0.048	0.053	0.041	0.027	0.074	0.062	0.074	0.085	0.024	0.044	0.014	0.027	0.051	0.047	0.016	0.066	0.117	0.023	0.033	0.074	0.046	0.107	0.066	0.034	0.049	0.039	0.056	0.074	0.045	0.057	0.048	0.046	0.026	0.034	0.05	0.038	0.015	0.025	0.029	0.022	0.033	0.008
alpha-AAA	0	0.009	0	0	0.056	0	0	0.037	0	0	0	0	0	0.008	0.018	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.002	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.004	0	0	0.041	0	0	0	0	0	0	0.007	0	0	0	0	0	0	0	0	0.004	0	0
Anserine	0.006	0.005	0.006	0.004	0.005	0.004	0.002	0.006	0.007	0.006	0.005	0.012	0.01	0.005	0.008	0.008	0.007	0.011	0.008	0.015	0.007	0.006	0.004	0.006	0.006	0.002	0.004	0.006	0.005	0.006	0.005	0.015	0.002	0.011	0.004	0.007	0.003	0.013	0.007	0.003	0.013	0.005	0.006	0.012	0.005	0.014	0.056	0.006	0.003	0.007	0.003	0.01	0.006	0.014	0.011	0.005	0.004	0.022	0.004	0.012	0.003	0.005	0.021	0.007	0.015	0.004	0.011	0.002	0.006	0.126	0.003	0.006	0.006	0.011	0.004	0.006	0.005	0.007
BABA	0.015	0.006	0.012	0.017	0.013	0.023	0.015	0.008	0.016	0.008	0.012	0.004	0.019	0.009	0.003	0.015	0.014	0.02	0.012	0.015	0.009	0.012	0.009	0.006	0.007	0.012	0.011	0.019	0.013	0.021	0.018	0.025	0.015	0.012	0.011	0.003	0.008	0.008	0.013	0.019	0.007	0.017	0.016	0.015	0.012	0.011	0.012	0.011	0.012	0.014	0.004	0.013	0.013	0.018	0.006	0.016	0.012	0.024	0.012	0.011	0.005	0	0.011	0.013	0.008	0.012	0.015	0.011	0.015	0.012	0.009	0.018	0.007	0.007	0	0.006	0.012	0.009
Betaine	0.488	0.163	1.33	0.215	0.354	0.586	1.5	0.203	0.302	0.327	0.679	0.309	0.328	0.257	0.649	0.588	0.39	0.208	0.351	0.841	0.049	0.064	0.679	0.112	0.255	1.02	0.23	0.231	0.522	0.201	0	0.37	1.49	0	0.206	0.397	0	0.932	0.032	0.122	0.337	0.44	0.471	0.139	0.512	0.498	0.294	0.781	0	0.099	0	0.612	1.01	0.195	0.112	0	0.102	0.448	1.04	0	0.393	0	0.545	0.539	0.056	0.145	0.483	0.441	0	0.394	0.481	0.206	0	0	0.22	0.214	0	0
c4-OH-Pro	0	0	0	0	0.003	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.002	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.01	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Carnosine	0.073	0.073	0.073	0.069	0.074	0.071	0.078	0.071	0.08	0.08	0.076	0.071	0.074	0.078	0.076	0.072	0.072	0.087	0.075	0.069	0.072	0.075	0.069	0.071	0.075	0.071	0.07	0.073	0.072	0.069	0.07	0.072	0.069	0.074	0.07	0.071	0.07	0.092	0.073	0.071	0.071	0.076	0.074	0.073	0.072	0.07	0.07	0.073	0.073	0.073	0.07	0.071	0.079	0.079	0.07	0.074	0.079	0.075	0.07	0.069	0.069	0.07	0.071	0.074	0.076	0.074	0.069	0.07	0.074	0.085	0.07	0.071	0.071	0.072	0.072	0.07	0.071	0.073
Cit	1.24	0.577	0.511	0.327	0.532	1.02	0.692	0.629	0.459	0.517	2.45	1.09	0.37	0.565	0.597	1.26	0.705	0.409	0.711	0.451	0.403	0.404	0.682	0.61	0.423	0.54	0.515	1.7	0.658	0.979	2.78	1.23	0.608	0.975	0.661	1.31	2.53	0.442	0.466	0.492	0.59	0.77	0.768	1.21	0.578	3.26	0.383	0.623	0.419	0.748	0.632	3.12	1.34	0.521	0.751	2.47	1.2	4.61	0.523	0.962	0.722	1.32	1.59	0.692	0.693	0.545	1.69	0.527	0.391	0.713	0.473	0.397	0.416	0.928	0.385	0.551	0.606	0.409
Creatinine	2.41	4.91	2.18	1.31	5.25	2.98	2.11	2.04	1.65	2.34	2.14	1.98	2.58	2.84	2.35	1.67	3	2.68	2.19	1.99	1.97	2.99	2.18	1.91	2.35	1.62	1.43	2.12	1.43	2.06	1.87	4.41	1.42	1.87	1.86	1.94	1.93	1.6	2.58	2.14	3.62	1.54	3	3.47	1.7	1.95	2.44	1.81	2.2	2.17	3.02	1.58	1.96	3.05	2.41	2.36	2.49	5.4	1.54	1.96	1.81	1.4	3.42	1.79	2.13	1.72	3.57	2.13	2.2	5.12	1.94	2.19	2.54	2.84	1.61	2.28	2.58	1.63
Cystine	0.008	0.007	0.005	0.004	0.004	0.004	0.006	0.004	0.006	0.01	0.004	0.006	0.003	0.002	0.004	0.004	0.007	0.003	0.004	0.004	0.003	0.005	0.005	0.002	0.006	0.006	0.004	0.004	0.005	0.003	0.005	0.002	0.004	0.003	0.005	0.003	0.006	0.004	0.005	0.003	0.008	0.005	0.007	0.005	0.005	0.004	0.006	0.005	0.002	0.006	0.006	0.009	0.005	0.003	0.004	0.005	0.007	0.005	0.003	0.006	0.012	0.004	0.004	0.003	0.004	0.005	0.006	0.005	0.006	0.005	0.004	0.007	0.003	0.005	0.005	0.001	0.004	0.005
DOPA	0.118	0.112	0.109	0.11	0.11	0.1	0.113	0.107	0.107	0.118	0.113	0.119	0.104	0.15	0.118	0.102	0.145	0.148	0.118	0.114	0.105	0.104	0.107	0.108	0.11	0.11	0.109	0.11	0.118	0.109	0.108	0.116	0.107	0.102	0.104	0.105	0.109	0.105	0.104	0.102	0.113	0.118	0.108	0.132	0.108	0.116	0.106	0.104	0.103	0.108	0.117	0.107	0.119	0.107	0.102	0.106	0.103	0.126	0.107	0.115	0.121	0.105	0.104	0.105	0.104	0.107	0.1	0.107	0.103	0.105	0.105	0.101	0.104	0.102	0.102	0.101	0.1	0.103
HArg	0.006	0.008	0.004	0	0.01	0.007	0.008	0.005	0.003	0.003	0.015	0.007	0.005	0.005	0.002	0.002	0.002	0.005	0.002	0.005	0.005	0.008	0.005	0.005	0.004	0.004	0.005	0.004	0.004	0.004	0.006	0.005	0.003	0.004	0.003	0.005	0.004	0.016	0.006	0.004	0.008	0.002	0.008	0.006	0.004	0.005	0.004	0.005	0.007	0.005	0.008	0.007	0.006	0.01	0.007	0.008	0.009	0.007	0.004	0.005	0.003	0.005	0.01	0.008	0.003	0.006	0.006	0.006	0.002	0.008	0.002	0.006	0.007	0.01	0.004	0.003	0.005	0.004
HCys	0.078	0.135	0.114	0.11	0.112	0.093	0.122	0.104	0.066	0.124	0.11	0.08	0.099	0.102	0.082	0.105	0.092	0.094	0.14	0.116	0.107	0.137	0.112	0.095	0.068	0.136	0.111	0.111	0.098	0.065	0.14	0.08	0.09	0.122	0.113	0.16	0.119	0.123	0.127	0.087	0.135	0.08	0.14	0.095	0.108	0.117	0.135	0.151	0.147	0.114	0.134	0.091	0.101	0.108	0.112	0.121	0.155	0.111	0.152	0.089	0.121	0.114	0.123	0.14	0.144	0.118	0.137	0.1	0.112	0.104	0.121	0.151	0.119	0.131	0.868	0.153	0.099	0.111
Kynurenine	0.187	0.145	0.159	0.203	0.159	0.175	0.17	0.167	0.187	0.196	0.237	0.207	0.169	0.12	0.175	0.141	0.187	0.205	0.247	0.156	0.192	0.174	0.147	0.167	0.216	0.203	0.182	0.152	0.156	0.19	0.171	0.17	0.191	0.19	0.19	0.17	0.171	0.179	0.168	0.192	0.164	0.168	0.142	0.186	0.202	0.158	0.171	0.184	0.16	0.184	0.17	0.154	0.186	0.148	0.193	0.196	0.191	0.186	0.178	0.196	0.18	0.192	0.187	0.174	0.176	0.187	0.201	0.197	0.178	0.181	0.161	0.137	0.158	0.139	0.145	0.195	0.154	0.158
Met-SO	0.152	0.21	0.153	0.142	0.201	0.214	0.136	0.145	0.125	0.214	0.176	0.177	0.176	0.157	0.253	0.174	0.161	0.161	0.176	0.133	0.153	0.169	0.143	0.161	0.171	0.131	0.127	0.149	0.134	0.177	0.18	0.254	0.136	0.157	0.153	0.167	0.179	0.134	0.165	0.154	0.194	0.149	0.181	0.199	0.174	0.242	0.157	0.162	0.157	0.18	0.18	0.18	0.165	0.188	0.183	0.173	0.165	0.352	0.134	0.141	0.139	0.153	0.22	0.146	0.171	0.132	0.214	0.131	0.142	0.257	0.128	0.145	0.165	0.172	0.151	0.139	0.154	0.144
Nitro-Tyr	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.031	0	0.001	0	0.004	0	0	0	0	0	0	0	0.006	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Orn	0.012	0	0	0	0	0.295	0	0	0	0.366	0	0	0	0	0	0	0	0	0.128	0	0	0	0	0	0	0	0	0	0	0	1.47	0.157	0	0	0	0	0.112	0	0	0	0	0	0	0.1	0	0.177	0	0	0	0	0	0.002	0	0	0	0.227	0.255	4.1	0	0	0	0	0.344	0	0	0	0	0	0	0.017	0	0	0	0	0	0	0	0
PAG	0.004	0.008	0.012	0	0.011	0.017	0.008	0.003	0.005	0.003	0.009	0.004	0.006	0.004	0.018	0.012	0.007	0.022	0.023	0.015	0	0.009	0.009	0.002	0.011	0.006	0.001	0.002	0.006	0.007	0.005	0.009	0.015	0.007	0.005	0.007	0.004	0.009	0.004	0.004	0.002	0.007	0.008	0.006	0.002	0.008	0.002	0.009	0.008	0.005	0.005	0.011	0.011	0.003	0.005	0.01	0.007	0.013	0.007	0.001	0.007	0.006	0.012	0.009	0.011	0.006	0.011	0.008	0.006	0	0.003	0.007	0.003	0.002	0.009	0.001	0.007	0.005
PheAlaBetaine	0.001	0.002	0.002	0.002	0.001	0.002	0	0	0.002	0.002	0.002	0.003	0.003	0.001	0.001	0.001	0.001	0.002	0	0.001	0.001	0.002	0.001	0.002	0.003	0.002	0.001	0.001	0	0.001	0.002	0.002	0.004	0.001	0.002	0.001	0.001	0.004	0.002	0.002	0.001	0.001	0	0.004	0.002	0.002	0.003	0.002	0.002	0.001	0.003	0.001	0.002	0.002	0.002	0.002	0.002	0	0.001	0.002	0.001	0.002	0.003	0.002	0.001	0.003	0.002	0.003	0.002	0.002	0.002	0.002	0.003	0.003	0.001	0.002	0.002	0.001
ProBetaine	0.097	0.119	0.121	0.094	0.128	0.136	0.109	0.103	0.112	0.111	0.111	0.109	0.105	0.097	0.118	0.103	0.106	0.109	0.122	0.132	0.114	0.103	0.103	0.098	0.106	0.111	0.101	0.107	0.108	0.112	0.106	0.114	0.126	0.113	0.102	0.125	0.106	0.122	0.117	0.105	0.118	0.12	0.129	0.125	0.129	0.131	0.105	0.115	0.114	0.109	0.096	0.137	0.117	0.111	0.168	0.111	0.126	0.133	0.124	0.123	0.118	0.113	0.12	0.14	0.165	0.11	0.119	0.142	0.104	0.141	0.262	0.148	0.094	0.115	0.112	0.124	0.298	0.118
Sarcosine	0.098	0.18	0.117	0.062	0.135	0.261	0.087	0.132	0.069	0.201	0.094	0.089	0.121	0.194	0.129	0.087	0.133	0.122	0.076	0.088	0.088	0.13	0.135	0.091	0.102	0.106	0.091	0.101	0.089	0.084	0.183	0.201	0.073	0.123	0.091	0.065	0.091	0.083	0.094	0.099	0.185	0.103	0.195	0.173	0.09	0.121	0.095	0.093	0.096	0.114	0.133	0.1	0.127	0.095	0.093	0.097	0.134	0.254	0.091	0.116	0.078	0.06	0.116	0.085	0.1	0.119	0.183	0.081	0.068	0.221	0.086	0.11	0.101	0.129	0.09	0.135	0.11	0.093
SDMA	0.003	0.006	0.001	0	0.002	0.004	0.001	0.002	0.001	0.003	0.002	0.004	0.002	0.002	0.003	0.003	0.002	0.002	0.002	0.002	0.001	0.002	0.003	0.001	0.002	0.001	0.001	0.001	0.001	0.003	0.004	0.003	0.002	0.001	0.001	0.002	0.003	0.002	0.004	0.001	0.002	0.003	0.006	0.004	0.002	0.006	0.002	0.003	0.001	0.001	0.002	0.006	0.002	0.002	0.003	0.003	0.001	0.003	0.001	0.002	0.002	0.001	0.006	0.002	0.004	0	0.005	0.001	0.001	0.003	0.001	0.002	0.002	0.001	0.002	0.002	0.001	0.001
t4-OH-Pro	0.164	0.23	0.132	0.143	0.707	0.17	0.143	0.123	0.109	0.173	0.128	0.135	0.174	0.195	0.208	0.131	0.222	0.19	0.193	0.318	0.104	0.198	0.165	0.17	0.14	0.094	0.11	0.14	0.147	0.161	0.13	0.253	0.115	0.13	0.119	0.122	0.124	0.112	0.119	0.122	0.233	0.152	0.199	0.241	0.114	0.112	0.136	0.151	0.142	0.146	0.156	0.117	0.139	0.174	0.123	0.113	0.147	0.398	0.097	0.111	0.104	0.091	0.195	0.159	0.132	0.103	0.244	0.148	0.118	0.453	0.108	0.136	0.156	0.163	0.1	0.19	0.174	0.099
Taurine	7.35	32.6	6.88	1.19	38.2	18.5	1.69	2.62	0.881	18.1	3.27	5.14	11.1	15.4	9.09	1.61	28.7	9.39	3.97	2.51	4.3	16.5	2.83	4.32	4.67	0.804	0.975	5.83	1.15	8.62	6.03	26.5	0.695	3.93	1.06	4.81	5.47	1.33	10	8.32	16	2.16	9.94	19	0.82	1.39	7.09	2.24	6.94	5.98	16.1	0.817	5.21	10.1	10.2	13.3	15.7	38.2	0.74	7.05	2.43	0.211	16.7	1.55	6.46	2.28	16.1	0.872	11.4	45.1	1.06	2.06	16.2	11.1	2.58	10.4	8.33	3.19
TrpBetaine	0.022	0.018	0.014	0.001	0.058	0.025	0.038	0.025	0.014	0.005	0.007	0.043	0.145	0.028	0.016	0.028	0	0.035	0.049	0.021	0.016	0.037	0.022	0.017	0.033	0.025	0.023	0.005	0.006	0.017	0.017	0.03	0.024	0.013	0.027	0.004	0.006	0.059	0.107	0.016	0.013	0.011	0.02	0.041	0.051	0.058	0.012	0.085	0.017	0.012	0.039	0.015	0.039	0.005	0.005	0.006	0.013	0.054	0.012	0.016	0.021	0.008	0.018	0.044	0.128	0.013	0.007	0.015	0.005	0.038	0.071	0.017	0.027	0.07	0.011	0.02	0.026	0.012
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name
Trigonelline
TMAO
Ala
Arg
Asn
Asp
Cys
Gln
Glu
Gly
His
Ile
Leu
Lys
Met
Phe
Pro
Ser
Thr
Trp
Tyr
Val
1-Met-His
3-Met-His
5-AVA
AABA
Ac-Orn
ADMA
alpha-AAA
Anserine
BABA
Betaine
c4-OH-Pro
Carnosine
Cit
Creatinine
Cystine
DOPA
HArg
HCys
Kynurenine
Met-SO
Nitro-Tyr
Orn
PAG
PheAlaBetaine
ProBetaine
Sarcosine
SDMA
t4-OH-Pro
Taurine
TrpBetaine
METABOLITES_END
#END