#METABOLOMICS WORKBENCH douglas_walker_20210210_071013_mwtab.txt DATATRACK_ID:2469 STUDY_ID:ST001692 ANALYSIS_ID:AN002763 PROJECT_ID:PR001088
VERSION             	1
CREATED_ON             	February 11, 2021, 2:24 pm
#PROJECT
PR:PROJECT_TITLE                 	A prospective study of critical environmental exposures in formative early life
PR:PROJECT_TITLE                 	that impact lifelong health in rural US children: The New Hampshire Birth Cohort
PR:PROJECT_TITLE                 	study
PR:PROJECT_SUMMARY               	Major gaps exist in our knowledge of the health impacts of widespread and
PR:PROJECT_SUMMARY               	dramatically expanding exposures among children in the US. Children from rural
PR:PROJECT_SUMMARY               	regions are particularly understudied but may experience higher exposures to
PR:PROJECT_SUMMARY               	contaminants by drinking unregulated water; from household air pollution from
PR:PROJECT_SUMMARY               	wood stoves; and consequent to their rural and changing landscape (e.g., from
PR:PROJECT_SUMMARY               	climate change). This study aims to investigate new hypotheses and contribute
PR:PROJECT_SUMMARY               	critical exposomic data to address major gaps in our knowledge about early life
PR:PROJECT_SUMMARY               	environmental influences on child health and development in a rural US pregnancy
PR:PROJECT_SUMMARY               	cohort. As part of the ECHO Pediatric Cohorts, we are working with the
PR:PROJECT_SUMMARY               	NIEHS/EPA-supported New Hampshire Birth Cohort Study (NHBCS): a rural, ongoing
PR:PROJECT_SUMMARY               	pregnancy cohort that has accrued over 1,500 maternal-infant dyads with planned
PR:PROJECT_SUMMARY               	expansion to include 3,000 maternal-infant pairs. The study aims to: 1. Leverage
PR:PROJECT_SUMMARY               	the extant NHBCS to perform targeted and unsupervised metabolomic analyses of
PR:PROJECT_SUMMARY               	1,000 cord blood samples and 250 paired maternal gestational blood samples, and
PR:PROJECT_SUMMARY               	assess associations with exposures, early growth, and the infant microbiome; 2.
PR:PROJECT_SUMMARY               	Expand data acquisition, sample collection and participant accrual to more
PR:PROJECT_SUMMARY               	precisely characterize exposures and timing of early life exposures; and 3.
PR:PROJECT_SUMMARY               	Extend follow-up to identify childhood exposures to contaminants (; the home
PR:PROJECT_SUMMARY               	environment; and medical exposures that relate to fetal and childhood growth,
PR:PROJECT_SUMMARY               	childhood obesity, and childhood respiratory infection, asthma, and pulmonary
PR:PROJECT_SUMMARY               	function. Additionally, novel statistical approaches will be used to determine
PR:PROJECT_SUMMARY               	the role of the intestinal and salivary microbiome as mediators of these
PR:PROJECT_SUMMARY               	effects. The collective expertise, methodologies, data, samples and preliminary
PR:PROJECT_SUMMARY               	results from this study will contribute to the planning of the broader ECHO
PR:PROJECT_SUMMARY               	Pediatric Cohorts initiative in order to advance our understanding of the
PR:PROJECT_SUMMARY               	environmental factors early in life that drive childhood and lifelong health.
PR:INSTITUTE                     	Dartmouth College
PR:LAST_NAME                     	Romano
PR:FIRST_NAME                    	Megan
PR:ADDRESS                       	One Medical Center Drive, Hinman Box 7927, Lebanon, NH, 03756
PR:EMAIL                         	megan.e.romano@dartmouth.edu
PR:PHONE                         	603-650-1837
PR:FUNDING_SOURCE                	National Institute of Environmental Health and Science (NIEHS), P42 ES007373;
PR:FUNDING_SOURCE                	P20 ES018175/RD-83459901; P01 ES022832/RD 83544201; 4UH3OD023275
PR:CONTRIBUTORS                  	Megan Romano, Rachel Criswell, Magaret Karagas, Douglas Walker
#STUDY
ST:STUDY_TITLE                   	Perfluoroalkyl substances and lipid composition in human milk
ST:STUDY_TYPE                    	CHEAR Study
ST:STUDY_SUMMARY                 	PFAS are widely used in commercial products, and so humans have consistent
ST:STUDY_SUMMARY                 	exposure to them via oil- and water-resistant consumer products, fire- fighting
ST:STUDY_SUMMARY                 	foam, and industrial surfactants 1,2. The four PFASs commonly detected in blood,
ST:STUDY_SUMMARY                 	perfluorooctanoic acid (PFOA), perfluorooctane sulfonate (PFOS),
ST:STUDY_SUMMARY                 	perfluorononanoic acid (PFNA), and perfluorohexane sulfonate (PFHxS) 3,4, are
ST:STUDY_SUMMARY                 	present in drinking water supplies both in northern New England as well as in 27
ST:STUDY_SUMMARY                 	states nationally 5-8. Animal models shows that PFASs have can have effects on
ST:STUDY_SUMMARY                 	both the endocrine system and on adiposity 9-12. Epidemiological evidence shows
ST:STUDY_SUMMARY                 	that the presence of PFASs in maternal serum is associated with changes in
ST:STUDY_SUMMARY                 	maternal serum lipid and cholesterol composition 13,14. Similarly, serum levels
ST:STUDY_SUMMARY                 	of PFAS in adolescents have been associated with increases in serum cholesterol
ST:STUDY_SUMMARY                 	15. These findings raise interesting questions about the association of PFAS and
ST:STUDY_SUMMARY                 	lipids in human milk. Research has shown the PFASs are present in human milk
ST:STUDY_SUMMARY                 	16-18, and human milk is composed primarily of lipids 19. However, the relation
ST:STUDY_SUMMARY                 	between PFAS in milk and milk composition is unclear. The chemical and
ST:STUDY_SUMMARY                 	compositional profiles of breast milk are important because of the potential
ST:STUDY_SUMMARY                 	effects on the developing infant. The developmental origins of health and
ST:STUDY_SUMMARY                 	disease hypothesis suggests that early life exposures, such as toxins and
ST:STUDY_SUMMARY                 	nutrients via breast milk, have lasting effects on health, particularly obesity
ST:STUDY_SUMMARY                 	outcomes 20. In fact, some studies have shown associations between PFAS in
ST:STUDY_SUMMARY                 	maternal serum and infant birth weight and later childhood BMI 14,21. Our study
ST:STUDY_SUMMARY                 	will help to better illuminate the potential effects of maternal exposure to
ST:STUDY_SUMMARY                 	PFASs on infant exposure, both through direct transmission into breast milk and
ST:STUDY_SUMMARY                 	indirectly via influence on the lipid profiles of milk. To investigate how early
ST:STUDY_SUMMARY                 	life exposure to perfluoroalkyl substances (PFAS) may affect childhood health
ST:STUDY_SUMMARY                 	outcomes as mediated through breast milk, we propose the following specific
ST:STUDY_SUMMARY                 	aims: 1. Characterize the levels of PFAS in breast milk samples (n=495) in the
ST:STUDY_SUMMARY                 	NHBCS; 2. Characterize the lipid profiles of breast milk samples (n=495) in the
ST:STUDY_SUMMARY                 	NHBCS; 3. Test the relation between PFAS concentration and breast milk lipid
ST:STUDY_SUMMARY                 	profiles; and 4. Test the association between PFAS concentrations in maternal
ST:STUDY_SUMMARY                 	plasma collected during pregnancy with paired breast milk samples (n=100).
ST:INSTITUTE                     	Icahn School of Medicine at Mount Sinai
ST:DEPARTMENT                    	Department of Environmental Medicine and Public Health
ST:LABORATORY                    	Mount Sinai CHEAR Untargeted Laboratory Hub
ST:LAST_NAME                     	Walker
ST:FIRST_NAME                    	Douglas
ST:ADDRESS                       	Atran Building RM AB3-39, 1428 Madison Ave
ST:EMAIL                         	douglas.walker@mssm.edu
ST:PHONE                         	212-241-9891
#SUBJECT
SU:SUBJECT_TYPE                  	Human
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
SU:GENDER                        	Female
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data
SUBJECT_SAMPLE_FACTORS           	LC-MS grade water	Water_HRE0010_01_001	Class:Water_blank	Batch=1; Run_order=1; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_001;HRE_HFX_20200923_HRE0010_002
SUBJECT_SAMPLE_FACTORS           	LC-MS grade water	Water_HRE0010_01_002	Class:Water_blank	Batch=1; Run_order=2; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_003;HRE_HFX_20200923_HRE0010_004
SUBJECT_SAMPLE_FACTORS           	NIST SRM 1953; Organic Contaminants in Non-Fortified Human Milk	NIST1953_HRE0010_01_001	Class:QAQC	Batch=1; Run_order=3; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_005;HRE_HFX_20200923_HRE0010_006
SUBJECT_SAMPLE_FACTORS           	NIST SRM 1954; Organic Contaminants in Fortified Human Milk	NIST1954_HRE0010_01_002	Class:QAQC	Batch=1; Run_order=4; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_007;HRE_HFX_20200923_HRE0010_008
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23ZQ8-BR-00	Class:Study_Sample	Batch=1; Run_order=5; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_009;HRE_HFX_20200923_HRE0010_010
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-240M7-BR-00	Class:Study_Sample	Batch=1; Run_order=6; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_011;HRE_HFX_20200923_HRE0010_012
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-242D4-BR-00	Class:Study_Sample	Batch=1; Run_order=7; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_013;HRE_HFX_20200923_HRE0010_014
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23NU1-BR-00	Class:Study_Sample	Batch=1; Run_order=8; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_015;HRE_HFX_20200923_HRE0010_016
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-242R4-BR-00	Class:Study_Sample	Batch=1; Run_order=9; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_017;HRE_HFX_20200923_HRE0010_018
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23ZB1-BR-00	Class:Study_Sample	Batch=1; Run_order=10; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_019;HRE_HFX_20200923_HRE0010_020
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23N77-BR-00	Class:Study_Sample	Batch=1; Run_order=11; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_021;HRE_HFX_20200923_HRE0010_022
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23NN6-BR-00	Class:Study_Sample	Batch=1; Run_order=12; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_023;HRE_HFX_20200923_HRE0010_024
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23DX4-BR-00	Class:Study_Sample	Batch=1; Run_order=13; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_025;HRE_HFX_20200923_HRE0010_026
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23AW0-BR-00	Class:Study_Sample	Batch=1; Run_order=14; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_027;HRE_HFX_20200923_HRE0010_028
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23B38-BR-00	Class:Study_Sample	Batch=1; Run_order=15; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_029;HRE_HFX_20200923_HRE0010_030
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23BP4-BR-00	Class:Study_Sample	Batch=1; Run_order=16; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_031;HRE_HFX_20200923_HRE0010_032
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23TY6-BR-00	Class:Study_Sample	Batch=1; Run_order=17; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_033;HRE_HFX_20200923_HRE0010_034
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-241J2-BR-00	Class:Study_Sample	Batch=1; Run_order=18; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_035;HRE_HFX_20200923_HRE0010_036
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23LT5-BR-00	Class:Study_Sample	Batch=1; Run_order=19; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_037;HRE_HFX_20200923_HRE0010_038
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23AK6-BR-00	Class:Study_Sample	Batch=1; Run_order=20; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_039;HRE_HFX_20200923_HRE0010_040
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23R24-BR-00	Class:Study_Sample	Batch=1; Run_order=21; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_041;HRE_HFX_20200923_HRE0010_042
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23VL3-BR-00	Class:Study_Sample	Batch=1; Run_order=22; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_043;HRE_HFX_20200923_HRE0010_044
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23DS5-BR-00	Class:Study_Sample	Batch=1; Run_order=23; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_045;HRE_HFX_20200923_HRE0010_046
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23ZJ3-BR-00	Class:Study_Sample	Batch=1; Run_order=24; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_047;HRE_HFX_20200923_HRE0010_048
SUBJECT_SAMPLE_FACTORS           	NIST SRM 1953; Organic Contaminants in Non-Fortified Human Milk	NIST1953_HRE0010_01_003	Class:QAQC	Batch=1; Run_order=25; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_049;HRE_HFX_20200923_HRE0010_050
SUBJECT_SAMPLE_FACTORS           	NIST SRM 1954; Organic Contaminants in Fortified Human Milk	NIST1954_HRE0010_01_004	Class:QAQC	Batch=1; Run_order=26; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_051;HRE_HFX_20200923_HRE0010_052
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23RB9-BR-00	Class:Study_Sample	Batch=1; Run_order=27; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_053;HRE_HFX_20200923_HRE0010_054
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23SE1-BR-00	Class:Study_Sample	Batch=1; Run_order=28; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_055;HRE_HFX_20200923_HRE0010_056
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-240A3-BR-00	Class:Study_Sample	Batch=1; Run_order=29; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_057;HRE_HFX_20200923_HRE0010_058
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23HD4-BR-00	Class:Study_Sample	Batch=1; Run_order=30; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_059;HRE_HFX_20200923_HRE0010_060
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-24109-BR-00	Class:Study_Sample	Batch=1; Run_order=31; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_061;HRE_HFX_20200923_HRE0010_062
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23YP1-BR-00	Class:Study_Sample	Batch=1; Run_order=32; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_063;HRE_HFX_20200923_HRE0010_064
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23Z00-BR-00	Class:Study_Sample	Batch=1; Run_order=33; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_065;HRE_HFX_20200923_HRE0010_066
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23U05-BR-00	Class:Study_Sample	Batch=1; Run_order=34; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_067;HRE_HFX_20200923_HRE0010_068
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23MJ6-BR-00	Class:Study_Sample	Batch=1; Run_order=35; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_069;HRE_HFX_20200923_HRE0010_070
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23YR7-BR-00	Class:Study_Sample	Batch=1; Run_order=36; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_071;HRE_HFX_20200923_HRE0010_072
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23VV1-BR-00	Class:Study_Sample	Batch=1; Run_order=37; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_073;HRE_HFX_20200923_HRE0010_074
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-243W2-BR-00	Class:Study_Sample	Batch=1; Run_order=38; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_075;HRE_HFX_20200923_HRE0010_076
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23TN0-BR-00	Class:Study_Sample	Batch=1; Run_order=39; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_077;HRE_HFX_20200923_HRE0010_078
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23QL8-BR-00	Class:Study_Sample	Batch=1; Run_order=40; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_079;HRE_HFX_20200923_HRE0010_080
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23N93-BR-00	Class:Study_Sample	Batch=1; Run_order=41; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_081;HRE_HFX_20200923_HRE0010_082
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23PJ3-BR-00	Class:Study_Sample	Batch=1; Run_order=42; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_083;HRE_HFX_20200923_HRE0010_084
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23UJ8-BR-00	Class:Study_Sample	Batch=1; Run_order=43; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_085;HRE_HFX_20200923_HRE0010_086
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23WF5-BR-00	Class:Study_Sample	Batch=1; Run_order=44; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_087;HRE_HFX_20200923_HRE0010_088
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23ZM7-BR-00	Class:Study_Sample	Batch=1; Run_order=45; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_089;HRE_HFX_20200923_HRE0010_090
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-241B0-BR-00	Class:Study_Sample	Batch=1; Run_order=46; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_091;HRE_HFX_20200923_HRE0010_092
SUBJECT_SAMPLE_FACTORS           	NIST SRM 1953; Organic Contaminants in Non-Fortified Human Milk	NIST1953_HRE0010_01_005	Class:QAQC	Batch=1; Run_order=47; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_093;HRE_HFX_20200923_HRE0010_094
SUBJECT_SAMPLE_FACTORS           	NIST SRM 1954; Organic Contaminants in Fortified Human Milk	NIST1954_HRE0010_01_006	Class:QAQC	Batch=1; Run_order=48; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_095;HRE_HFX_20200923_HRE0010_096
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-241U8-BR-00	Class:Study_Sample	Batch=1; Run_order=49; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_097;HRE_HFX_20200923_HRE0010_098
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23TU5-BR-00	Class:Study_Sample	Batch=1; Run_order=50; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_099;HRE_HFX_20200923_HRE0010_100
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-240B1-BR-00	Class:Study_Sample	Batch=1; Run_order=51; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_101;HRE_HFX_20200923_HRE0010_102
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23BJ7-BR-00	Class:Study_Sample	Batch=1; Run_order=52; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_103;HRE_HFX_20200923_HRE0010_104
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23WG3-BR-00	Class:Study_Sample	Batch=1; Run_order=53; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_105;HRE_HFX_20200923_HRE0010_106
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-242X0-BR-00	Class:Study_Sample	Batch=1; Run_order=54; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_107;HRE_HFX_20200923_HRE0010_108
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23VC3-BR-00	Class:Study_Sample	Batch=1; Run_order=55; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_109;HRE_HFX_20200923_HRE0010_110
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-242B9-BR-00	Class:Study_Sample	Batch=1; Run_order=56; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_111;HRE_HFX_20200923_HRE0010_112
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23ZS3-BR-00	Class:Study_Sample	Batch=1; Run_order=57; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_113;HRE_HFX_20200923_HRE0010_114
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23QC8-BR-00	Class:Study_Sample	Batch=1; Run_order=58; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_115;HRE_HFX_20200923_HRE0010_116
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23RD4-BR-00	Class:Study_Sample	Batch=1; Run_order=59; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_117;HRE_HFX_20200923_HRE0010_118
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23M52-BR-00	Class:Study_Sample	Batch=1; Run_order=60; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_119;HRE_HFX_20200923_HRE0010_120
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23V53-BR-00	Class:Study_Sample	Batch=1; Run_order=61; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_121;HRE_HFX_20200923_HRE0010_122
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23WM0-BR-00	Class:Study_Sample	Batch=1; Run_order=62; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_123;HRE_HFX_20200923_HRE0010_124
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-241V6-BR-00	Class:Study_Sample	Batch=1; Run_order=63; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_125;HRE_HFX_20200923_HRE0010_126
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23J89-BR-00	Class:Study_Sample	Batch=1; Run_order=64; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_127;HRE_HFX_20200923_HRE0010_128
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23AT6-BR-00	Class:Study_Sample	Batch=1; Run_order=65; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_129;HRE_HFX_20200923_HRE0010_130
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23J97-BR-00	Class:Study_Sample	Batch=1; Run_order=66; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_131;HRE_HFX_20200923_HRE0010_132
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23G17-BR-00	Class:Study_Sample	Batch=1; Run_order=67; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_133;HRE_HFX_20200923_HRE0010_134
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23AV2-BR-00	Class:Study_Sample	Batch=1; Run_order=68; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_135;HRE_HFX_20200923_HRE0010_136
SUBJECT_SAMPLE_FACTORS           	NIST SRM 1953; Organic Contaminants in Non-Fortified Human Milk	NIST1953_HRE0010_01_007	Class:QAQC	Batch=1; Run_order=69; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_137;HRE_HFX_20200923_HRE0010_138
SUBJECT_SAMPLE_FACTORS           	NIST SRM 1954; Organic Contaminants in Fortified Human Milk	NIST1954_HRE0010_01_008	Class:QAQC	Batch=1; Run_order=70; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_139;HRE_HFX_20200923_HRE0010_140
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-24331-BR-00	Class:Study_Sample	Batch=1; Run_order=71; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_141;HRE_HFX_20200923_HRE0010_142
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23MG3-BR-00	Class:Study_Sample	Batch=1; Run_order=72; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_143;HRE_HFX_20200923_HRE0010_144
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-242P8-BR-00	Class:Study_Sample	Batch=1; Run_order=73; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_145;HRE_HFX_20200923_HRE0010_146
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23XB3-BR-00	Class:Study_Sample	Batch=1; Run_order=74; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_147;HRE_HFX_20200923_HRE0010_148
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23LY4-BR-00	Class:Study_Sample	Batch=1; Run_order=75; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_149;HRE_HFX_20200923_HRE0010_150
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23XM9-BR-00	Class:Study_Sample	Batch=1; Run_order=76; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_151;HRE_HFX_20200923_HRE0010_152
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23HU7-BR-00	Class:Study_Sample	Batch=1; Run_order=77; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_153;HRE_HFX_20200923_HRE0010_154
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-24091-BR-00	Class:Study_Sample	Batch=1; Run_order=78; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_155;HRE_HFX_20200923_HRE0010_156
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23SC6-BR-00	Class:Study_Sample	Batch=1; Run_order=79; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_157;HRE_HFX_20200923_HRE0010_158
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23Z59-BR-00	Class:Study_Sample	Batch=1; Run_order=80; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_159;HRE_HFX_20200923_HRE0010_160
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23ME7-BR-00	Class:Study_Sample	Batch=1; Run_order=81; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_161;HRE_HFX_20200923_HRE0010_162
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23BQ2-BR-00	Class:Study_Sample	Batch=1; Run_order=82; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_163;HRE_HFX_20200923_HRE0010_164
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-241N3-BR-00	Class:Study_Sample	Batch=1; Run_order=83; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_165;HRE_HFX_20200923_HRE0010_166
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23GQ7-BR-00	Class:Study_Sample	Batch=1; Run_order=84; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_167;HRE_HFX_20200923_HRE0010_168
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23S07-BR-00	Class:Study_Sample	Batch=1; Run_order=85; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_169;HRE_HFX_20200923_HRE0010_170
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23W03-BR-00	Class:Study_Sample	Batch=1; Run_order=86; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_171;HRE_HFX_20200923_HRE0010_172
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23HE2-BR-00	Class:Study_Sample	Batch=1; Run_order=87; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_173;HRE_HFX_20200923_HRE0010_174
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23TF8-BR-00	Class:Study_Sample	Batch=1; Run_order=88; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_175;HRE_HFX_20200923_HRE0010_176
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23QF1-BR-00	Class:Study_Sample	Batch=1; Run_order=89; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_177;HRE_HFX_20200923_HRE0010_178
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23CD9-BR-00	Class:Study_Sample	Batch=1; Run_order=90; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_179;HRE_HFX_20200923_HRE0010_180
SUBJECT_SAMPLE_FACTORS           	NIST SRM 1953; Organic Contaminants in Non-Fortified Human Milk	NIST1953_HRE0010_01_009	Class:QAQC	Batch=1; Run_order=91; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_181;HRE_HFX_20200923_HRE0010_182
SUBJECT_SAMPLE_FACTORS           	NIST SRM 1954; Organic Contaminants in Fortified Human Milk	NIST1954_HRE0010_01_010	Class:QAQC	Batch=1; Run_order=92; RAW_FILE_NAME=HRE_HFX_20200923_HRE0010_183;HRE_HFX_20200923_HRE0010_184
SUBJECT_SAMPLE_FACTORS           	LC-MS grade water	Water_HRE0010_02_001	Class:Water_blank	Batch=2; Run_order=93; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_001;HRE_HFX_20200924_HRE0010_002
SUBJECT_SAMPLE_FACTORS           	LC-MS grade water	Water_HRE0010_02_002	Class:Water_blank	Batch=2; Run_order=94; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_003;HRE_HFX_20200924_HRE0010_004
SUBJECT_SAMPLE_FACTORS           	NIST SRM 1953; Organic Contaminants in Non-Fortified Human Milk	NIST1953_HRE0010_02_001	Class:QAQC	Batch=2; Run_order=95; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_005;HRE_HFX_20200924_HRE0010_006
SUBJECT_SAMPLE_FACTORS           	NIST SRM 1954; Organic Contaminants in Fortified Human Milk	NIST1954_HRE0010_02_002	Class:QAQC	Batch=2; Run_order=96; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_007;HRE_HFX_20200924_HRE0010_008
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23M86-BR-00	Class:Study_Sample	Batch=2; Run_order=97; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_009;HRE_HFX_20200924_HRE0010_010
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-242V5-BR-00	Class:Study_Sample	Batch=2; Run_order=98; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_011;HRE_HFX_20200924_HRE0010_012
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23WL2-BR-00	Class:Study_Sample	Batch=2; Run_order=99; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_013;HRE_HFX_20200924_HRE0010_014
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23XC1-BR-00	Class:Study_Sample	Batch=2; Run_order=100; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_015;HRE_HFX_20200924_HRE0010_016
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23D44-BR-00	Class:Study_Sample	Batch=2; Run_order=101; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_017;HRE_HFX_20200924_HRE0010_018
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23CA6-BR-00	Class:Study_Sample	Batch=2; Run_order=102; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_019;HRE_HFX_20200924_HRE0010_020
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23YH9-BR-00	Class:Study_Sample	Batch=2; Run_order=103; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_021;HRE_HFX_20200924_HRE0010_022
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23VD0-BR-00	Class:Study_Sample	Batch=2; Run_order=104; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_023;HRE_HFX_20200924_HRE0010_024
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-240W5-BR-00	Class:Study_Sample	Batch=2; Run_order=105; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_025;HRE_HFX_20200924_HRE0010_026
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23ES4-BR-00	Class:Study_Sample	Batch=2; Run_order=106; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_027;HRE_HFX_20200924_HRE0010_028
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23GV6-BR-00	Class:Study_Sample	Batch=2; Run_order=107; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_029;HRE_HFX_20200924_HRE0010_030
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23XN6-BR-00	Class:Study_Sample	Batch=2; Run_order=108; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_031;HRE_HFX_20200924_HRE0010_032
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23TP6-BR-00	Class:Study_Sample	Batch=2; Run_order=109; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_033;HRE_HFX_20200924_HRE0010_034
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23FD6-BR-00	Class:Study_Sample	Batch=2; Run_order=110; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_035;HRE_HFX_20200924_HRE0010_036
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23H16-BR-00	Class:Study_Sample	Batch=2; Run_order=111; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_037;HRE_HFX_20200924_HRE0010_038
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23M45-BR-00	Class:Study_Sample	Batch=2; Run_order=112; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_039;HRE_HFX_20200924_HRE0010_040
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23DU1-BR-00	Class:Study_Sample	Batch=2; Run_order=113; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_041;HRE_HFX_20200924_HRE0010_042
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23R16-BR-00	Class:Study_Sample	Batch=2; Run_order=114; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_043;HRE_HFX_20200924_HRE0010_044
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23T55-BR-00	Class:Study_Sample	Batch=2; Run_order=115; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_045;HRE_HFX_20200924_HRE0010_046
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-243L6-BR-00	Class:Study_Sample	Batch=2; Run_order=116; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_047;HRE_HFX_20200924_HRE0010_048
SUBJECT_SAMPLE_FACTORS           	NIST SRM 1953; Organic Contaminants in Non-Fortified Human Milk	NIST1953_HRE0010_02_003	Class:QAQC	Batch=2; Run_order=117; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_049;HRE_HFX_20200924_HRE0010_050
SUBJECT_SAMPLE_FACTORS           	NIST SRM 1954; Organic Contaminants in Fortified Human Milk	NIST1954_HRE0010_02_004	Class:QAQC	Batch=2; Run_order=118; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_051;HRE_HFX_20200924_HRE0010_052
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23B79-BR-00	Class:Study_Sample	Batch=2; Run_order=119; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_053;HRE_HFX_20200924_HRE0010_054
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23Y84-BR-00	Class:Study_Sample	Batch=2; Run_order=120; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_055;HRE_HFX_20200924_HRE0010_056
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23UV2-BR-00	Class:Study_Sample	Batch=2; Run_order=121; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_057;HRE_HFX_20200924_HRE0010_058
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23KH3-BR-00	Class:Study_Sample	Batch=2; Run_order=122; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_059;HRE_HFX_20200924_HRE0010_060
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23PW5-BR-00	Class:Study_Sample	Batch=2; Run_order=123; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_061;HRE_HFX_20200924_HRE0010_062
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23J22-BR-00	Class:Study_Sample	Batch=2; Run_order=124; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_063;HRE_HFX_20200924_HRE0010_064
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23S72-BR-00	Class:Study_Sample	Batch=2; Run_order=125; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_065;HRE_HFX_20200924_HRE0010_066
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23Q82-BR-00	Class:Study_Sample	Batch=2; Run_order=126; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_067;HRE_HFX_20200924_HRE0010_068
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23T97-BR-00	Class:Study_Sample	Batch=2; Run_order=127; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_069;HRE_HFX_20200924_HRE0010_070
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23KT6-BR-00	Class:Study_Sample	Batch=2; Run_order=128; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_071;HRE_HFX_20200924_HRE0010_072
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23DV9-BR-00	Class:Study_Sample	Batch=2; Run_order=129; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_073;HRE_HFX_20200924_HRE0010_074
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23QS2-BR-00	Class:Study_Sample	Batch=2; Run_order=130; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_075;HRE_HFX_20200924_HRE0010_076
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23P18-BR-00	Class:Study_Sample	Batch=2; Run_order=131; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_077;HRE_HFX_20200924_HRE0010_078
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23C45-BR-00	Class:Study_Sample	Batch=2; Run_order=132; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_079;HRE_HFX_20200924_HRE0010_080
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-242Y8-BR-00	Class:Study_Sample	Batch=2; Run_order=133; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_081;HRE_HFX_20200924_HRE0010_082
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-242N2-BR-00	Class:Study_Sample	Batch=2; Run_order=134; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_083;HRE_HFX_20200924_HRE0010_084
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23RA1-BR-00	Class:Study_Sample	Batch=2; Run_order=135; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_085;HRE_HFX_20200924_HRE0010_086
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23LP4-BR-00	Class:Study_Sample	Batch=2; Run_order=136; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_087;HRE_HFX_20200924_HRE0010_088
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23TX8-BR-00	Class:Study_Sample	Batch=2; Run_order=137; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_089;HRE_HFX_20200924_HRE0010_090
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-240V7-BR-00	Class:Study_Sample	Batch=2; Run_order=138; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_091;HRE_HFX_20200924_HRE0010_092
SUBJECT_SAMPLE_FACTORS           	NIST SRM 1953; Organic Contaminants in Non-Fortified Human Milk	NIST1953_HRE0010_02_005	Class:QAQC	Batch=2; Run_order=139; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_093;HRE_HFX_20200924_HRE0010_094
SUBJECT_SAMPLE_FACTORS           	NIST SRM 1954; Organic Contaminants in Fortified Human Milk	NIST1954_HRE0010_02_006	Class:QAQC	Batch=2; Run_order=140; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_095;HRE_HFX_20200924_HRE0010_096
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23FC9-BR-00	Class:Study_Sample	Batch=2; Run_order=141; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_097;HRE_HFX_20200924_HRE0010_098
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23Y01-BR-00	Class:Study_Sample	Batch=2; Run_order=142; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_099;HRE_HFX_20200924_HRE0010_100
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-243C6-BR-00	Class:Study_Sample	Batch=2; Run_order=143; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_101;HRE_HFX_20200924_HRE0010_102
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23FF2-BR-00	Class:Study_Sample	Batch=2; Run_order=144; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_103;HRE_HFX_20200924_HRE0010_104
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23ZA3-BR-00	Class:Study_Sample	Batch=2; Run_order=145; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_105;HRE_HFX_20200924_HRE0010_106
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23ZX2-BR-00	Class:Study_Sample	Batch=2; Run_order=146; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_107;HRE_HFX_20200924_HRE0010_108
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23AY5-BR-00	Class:Study_Sample	Batch=2; Run_order=147; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_109;HRE_HFX_20200924_HRE0010_110
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23VJ7-BR-00	Class:Study_Sample	Batch=2; Run_order=148; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_111;HRE_HFX_20200924_HRE0010_112
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23BX6-BR-00	Class:Study_Sample	Batch=2; Run_order=149; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_113;HRE_HFX_20200924_HRE0010_114
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23Q66-BR-00	Class:Study_Sample	Batch=2; Run_order=150; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_115;HRE_HFX_20200924_HRE0010_116
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23X44-BR-00	Class:Study_Sample	Batch=2; Run_order=151; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_117;HRE_HFX_20200924_HRE0010_118
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23KA8-BR-00	Class:Study_Sample	Batch=2; Run_order=152; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_119;HRE_HFX_20200924_HRE0010_120
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23NR8-BR-00	Class:Study_Sample	Batch=2; Run_order=153; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_121;HRE_HFX_20200924_HRE0010_122
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23HL7-BR-00	Class:Study_Sample	Batch=2; Run_order=154; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_123;HRE_HFX_20200924_HRE0010_124
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-24125-BR-00	Class:Study_Sample	Batch=2; Run_order=155; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_125;HRE_HFX_20200924_HRE0010_126
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23T48-BR-00	Class:Study_Sample	Batch=2; Run_order=156; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_127;HRE_HFX_20200924_HRE0010_128
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-242C7-BR-00	Class:Study_Sample	Batch=2; Run_order=157; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_129;HRE_HFX_20200924_HRE0010_130
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23Q25-BR-00	Class:Study_Sample	Batch=2; Run_order=158; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_131;HRE_HFX_20200924_HRE0010_132
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23S98-BR-00	Class:Study_Sample	Batch=2; Run_order=159; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_133;HRE_HFX_20200924_HRE0010_134
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23XL1-BR-00	Class:Study_Sample	Batch=2; Run_order=160; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_135;HRE_HFX_20200924_HRE0010_136
SUBJECT_SAMPLE_FACTORS           	NIST SRM 1953; Organic Contaminants in Non-Fortified Human Milk	NIST1953_HRE0010_02_007	Class:QAQC	Batch=2; Run_order=161; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_137;HRE_HFX_20200924_HRE0010_138
SUBJECT_SAMPLE_FACTORS           	NIST SRM 1954; Organic Contaminants in Fortified Human Milk	NIST1954_HRE0010_02_008	Class:QAQC	Batch=2; Run_order=162; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_139;HRE_HFX_20200924_HRE0010_140
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23RH6-BR-00	Class:Study_Sample	Batch=2; Run_order=163; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_141;HRE_HFX_20200924_HRE0010_142
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23DP2-BR-00	Class:Study_Sample	Batch=2; Run_order=164; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_143;HRE_HFX_20200924_HRE0010_144
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23SN1-BR-00	Class:Study_Sample	Batch=2; Run_order=165; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_145;HRE_HFX_20200924_HRE0010_146
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23W29-BR-00	Class:Study_Sample	Batch=2; Run_order=166; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_147;HRE_HFX_20200924_HRE0010_148
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23M03-BR-00	Class:Study_Sample	Batch=2; Run_order=167; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_149;HRE_HFX_20200924_HRE0010_150
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23DE6-BR-00	Class:Study_Sample	Batch=2; Run_order=168; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_151;HRE_HFX_20200924_HRE0010_152
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23JM3-BR-00	Class:Study_Sample	Batch=2; Run_order=169; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_153;HRE_HFX_20200924_HRE0010_154
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23PU9-BR-00	Class:Study_Sample	Batch=2; Run_order=170; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_155;HRE_HFX_20200924_HRE0010_156
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-240D6-BR-00	Class:Study_Sample	Batch=2; Run_order=171; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_157;HRE_HFX_20200924_HRE0010_158
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23CE7-BR-00	Class:Study_Sample	Batch=2; Run_order=172; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_159;HRE_HFX_20200924_HRE0010_160
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23R57-BR-00	Class:Study_Sample	Batch=2; Run_order=173; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_161;HRE_HFX_20200924_HRE0010_162
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23DY2-BR-00	Class:Study_Sample	Batch=2; Run_order=174; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_163;HRE_HFX_20200924_HRE0010_164
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23X77-BR-00	Class:Study_Sample	Batch=2; Run_order=175; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_165;HRE_HFX_20200924_HRE0010_166
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23EY1-BR-00	Class:Study_Sample	Batch=2; Run_order=176; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_167;HRE_HFX_20200924_HRE0010_168
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23VR0-BR-00	Class:Study_Sample	Batch=2; Run_order=177; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_169;HRE_HFX_20200924_HRE0010_170
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23Y35-BR-00	Class:Study_Sample	Batch=2; Run_order=178; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_171;HRE_HFX_20200924_HRE0010_172
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23EP1-BR-00	Class:Study_Sample	Batch=2; Run_order=179; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_173;HRE_HFX_20200924_HRE0010_174
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23RF0-BR-00	Class:Study_Sample	Batch=2; Run_order=180; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_175;HRE_HFX_20200924_HRE0010_176
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23MU2-BR-00	Class:Study_Sample	Batch=2; Run_order=181; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_177;HRE_HFX_20200924_HRE0010_178
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23NL1-BR-00	Class:Study_Sample	Batch=2; Run_order=182; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_179;HRE_HFX_20200924_HRE0010_180
SUBJECT_SAMPLE_FACTORS           	NIST SRM 1953; Organic Contaminants in Non-Fortified Human Milk	NIST1953_HRE0010_02_009	Class:QAQC	Batch=2; Run_order=183; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_181;HRE_HFX_20200924_HRE0010_182
SUBJECT_SAMPLE_FACTORS           	NIST SRM 1954; Organic Contaminants in Fortified Human Milk	NIST1954_HRE0010_02_010	Class:QAQC	Batch=2; Run_order=184; RAW_FILE_NAME=HRE_HFX_20200924_HRE0010_183;HRE_HFX_20200924_HRE0010_184
SUBJECT_SAMPLE_FACTORS           	LC-MS grade water	Water_HRE0010_03_001	Class:Water_blank	Batch=3; Run_order=185; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_001;HRE_HFX_20200925_HRE0010_002
SUBJECT_SAMPLE_FACTORS           	LC-MS grade water	Water_HRE0010_03_002	Class:Water_blank	Batch=3; Run_order=186; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_003;HRE_HFX_20200925_HRE0010_004
SUBJECT_SAMPLE_FACTORS           	NIST SRM 1953; Organic Contaminants in Non-Fortified Human Milk	NIST1953_HRE0010_03_001	Class:QAQC	Batch=3; Run_order=187; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_005;HRE_HFX_20200925_HRE0010_006
SUBJECT_SAMPLE_FACTORS           	NIST SRM 1954; Organic Contaminants in Fortified Human Milk	NIST1954_HRE0010_03_002	Class:QAQC	Batch=3; Run_order=188; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_007;HRE_HFX_20200925_HRE0010_008
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23PS3-BR-00	Class:Study_Sample	Batch=3; Run_order=189; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_009;HRE_HFX_20200925_HRE0010_010
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23GP9-BR-00	Class:Study_Sample	Batch=3; Run_order=190; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_011;HRE_HFX_20200925_HRE0010_012
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23ST8-BR-00	Class:Study_Sample	Batch=3; Run_order=191; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_013;HRE_HFX_20200925_HRE0010_014
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23AF7-BR-00	Class:Study_Sample	Batch=3; Run_order=192; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_015;HRE_HFX_20200925_HRE0010_016
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23DT3-BR-00	Class:Study_Sample	Batch=3; Run_order=193; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_017;HRE_HFX_20200925_HRE0010_018
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23KK6-BR-00	Class:Study_Sample	Batch=3; Run_order=194; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_019;HRE_HFX_20200925_HRE0010_020
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23RN2-BR-00	Class:Study_Sample	Batch=3; Run_order=195; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_021;HRE_HFX_20200925_HRE0010_022
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23JU5-BR-00	Class:Study_Sample	Batch=3; Run_order=196; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_023;HRE_HFX_20200925_HRE0010_024
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23K21-BR-00	Class:Study_Sample	Batch=3; Run_order=197; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_025;HRE_HFX_20200925_HRE0010_026
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23S80-BR-00	Class:Study_Sample	Batch=3; Run_order=198; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_027;HRE_HFX_20200925_HRE0010_028
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23V79-BR-00	Class:Study_Sample	Batch=3; Run_order=199; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_031;HRE_HFX_20200925_HRE0010_032
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-24406-BR-00	Class:Study_Sample	Batch=3; Run_order=200; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_033;HRE_HFX_20200925_HRE0010_034
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23FW5-BR-00	Class:Study_Sample	Batch=3; Run_order=201; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_035;HRE_HFX_20200925_HRE0010_036
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23FR6-BR-00	Class:Study_Sample	Batch=3; Run_order=202; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_037;HRE_HFX_20200925_HRE0010_038
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23CQ1-BR-00	Class:Study_Sample	Batch=3; Run_order=203; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_039;HRE_HFX_20200925_HRE0010_040
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23L04-BR-00	Class:Study_Sample	Batch=3; Run_order=204; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_041;HRE_HFX_20200925_HRE0010_042
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23VN8-BR-00	Class:Study_Sample	Batch=3; Run_order=205; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_043;HRE_HFX_20200925_HRE0010_044
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23DW7-BR-00	Class:Study_Sample	Batch=3; Run_order=206; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_045;HRE_HFX_20200925_HRE0010_046
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23P00-BR-00	Class:Study_Sample	Batch=3; Run_order=207; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_047;HRE_HFX_20200925_HRE0010_048
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23FK1-BR-00	Class:Study_Sample	Batch=3; Run_order=208; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_049;HRE_HFX_20200925_HRE0010_050
SUBJECT_SAMPLE_FACTORS           	NIST SRM 1953; Organic Contaminants in Non-Fortified Human Milk	NIST1953_HRE0010_03_003	Class:QAQC	Batch=3; Run_order=209; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_051;HRE_HFX_20200925_HRE0010_052
SUBJECT_SAMPLE_FACTORS           	NIST SRM 1954; Organic Contaminants in Fortified Human Milk	NIST1954_HRE0010_03_004	Class:QAQC	Batch=3; Run_order=210; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_053;HRE_HFX_20200925_HRE0010_054
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23NQ0-BR-00	Class:Study_Sample	Batch=3; Run_order=211; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_055;HRE_HFX_20200925_HRE0010_056
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23Q17-BR-00	Class:Study_Sample	Batch=3; Run_order=212; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_057;HRE_HFX_20200925_HRE0010_058
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23QG9-BR-00	Class:Study_Sample	Batch=3; Run_order=213; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_059;HRE_HFX_20200925_HRE0010_060
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23XR8-BR-00	Class:Study_Sample	Batch=3; Run_order=214; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_061;HRE_HFX_20200925_HRE0010_062
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23CU2-BR-00	Class:Study_Sample	Batch=3; Run_order=215; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_063;HRE_HFX_20200925_HRE0010_064
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23HP8-BR-00	Class:Study_Sample	Batch=3; Run_order=216; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_065;HRE_HFX_20200925_HRE0010_066
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23MC2-BR-00	Class:Study_Sample	Batch=3; Run_order=217; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_067;HRE_HFX_20200925_HRE0010_068
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23TB7-BR-00	Class:Study_Sample	Batch=3; Run_order=218; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_069;HRE_HFX_20200925_HRE0010_070
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23GB0-BR-00	Class:Study_Sample	Batch=3; Run_order=219; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_071;HRE_HFX_20200925_HRE0010_072
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23ZD6-BR-00	Class:Study_Sample	Batch=3; Run_order=220; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_073;HRE_HFX_20200925_HRE0010_074
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23ED7-BR-00	Class:Study_Sample	Batch=3; Run_order=221; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_077;HRE_HFX_20200925_HRE0010_078
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23ND8-BR-00	Class:Study_Sample	Batch=3; Run_order=222; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_079;HRE_HFX_20200925_HRE0010_080
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-24158-BR-00	Class:Study_Sample	Batch=3; Run_order=223; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_081;HRE_HFX_20200925_HRE0010_082
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23HX0-BR-00	Class:Study_Sample	Batch=3; Run_order=224; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_083;HRE_HFX_20200925_HRE0010_084
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23H32-BR-00	Class:Study_Sample	Batch=3; Run_order=225; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_085;HRE_HFX_20200925_HRE0010_086
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23VG4-BR-00	Class:Study_Sample	Batch=3; Run_order=226; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_087;HRE_HFX_20200925_HRE0010_088
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23QQ7-BR-00	Class:Study_Sample	Batch=3; Run_order=227; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_089;HRE_HFX_20200925_HRE0010_090
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23WS6-BR-00	Class:Study_Sample	Batch=3; Run_order=228; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_091;HRE_HFX_20200925_HRE0010_092
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-241D5-BR-00	Class:Study_Sample	Batch=3; Run_order=229; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_093;HRE_HFX_20200925_HRE0010_094
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23V04-BR-00	Class:Study_Sample	Batch=3; Run_order=230; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_095;HRE_HFX_20200925_HRE0010_096
SUBJECT_SAMPLE_FACTORS           	NIST SRM 1953; Organic Contaminants in Non-Fortified Human Milk	NIST1953_HRE0010_03_005	Class:QAQC	Batch=3; Run_order=231; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_097;HRE_HFX_20200925_HRE0010_098
SUBJECT_SAMPLE_FACTORS           	NIST SRM 1954; Organic Contaminants in Fortified Human Milk	NIST1954_HRE0010_03_006	Class:QAQC	Batch=3; Run_order=232; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_099;HRE_HFX_20200925_HRE0010_100
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23YT2-BR-00	Class:Study_Sample	Batch=3; Run_order=233; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_101;HRE_HFX_20200925_HRE0010_102
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23R40-BR-00	Class:Study_Sample	Batch=3; Run_order=234; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_103;HRE_HFX_20200925_HRE0010_104
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23V95-BR-00	Class:Study_Sample	Batch=3; Run_order=235; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_105;HRE_HFX_20200925_HRE0010_106
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23W11-BR-00	Class:Study_Sample	Batch=3; Run_order=236; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_107;HRE_HFX_20200925_HRE0010_108
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23DR8-BR-00	Class:Study_Sample	Batch=3; Run_order=237; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_109;HRE_HFX_20200925_HRE0010_110
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-24398-BR-00	Class:Study_Sample	Batch=3; Run_order=238; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_111;HRE_HFX_20200925_HRE0010_112
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23DF4-BR-00	Class:Study_Sample	Batch=3; Run_order=239; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_113;HRE_HFX_20200925_HRE0010_114
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-242F0-BR-00	Class:Study_Sample	Batch=3; Run_order=240; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_115;HRE_HFX_20200925_HRE0010_116
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-24430-BR-00	Class:Study_Sample	Batch=3; Run_order=241; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_117;HRE_HFX_20200925_HRE0010_118
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23GG9-BR-00	Class:Study_Sample	Batch=3; Run_order=242; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_119;HRE_HFX_20200925_HRE0010_120
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23WE7-BR-00	Class:Study_Sample	Batch=3; Run_order=243; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_123;HRE_HFX_20200925_HRE0010_124
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-241C8-BR-00	Class:Study_Sample	Batch=3; Run_order=244; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_125;HRE_HFX_20200925_HRE0010_126
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23M37-BR-00	Class:Study_Sample	Batch=3; Run_order=245; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_127;HRE_HFX_20200925_HRE0010_128
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-24042-BR-00	Class:Study_Sample	Batch=3; Run_order=246; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_129;HRE_HFX_20200925_HRE0010_130
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23BU3-BR-00	Class:Study_Sample	Batch=3; Run_order=247; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_131;HRE_HFX_20200925_HRE0010_132
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23NW7-BR-00	Class:Study_Sample	Batch=3; Run_order=248; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_133;HRE_HFX_20200925_HRE0010_134
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23UP5-BR-00	Class:Study_Sample	Batch=3; Run_order=249; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_135;HRE_HFX_20200925_HRE0010_136
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-24380-BR-00	Class:Study_Sample	Batch=3; Run_order=250; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_137;HRE_HFX_20200925_HRE0010_138
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23B46-BR-00	Class:Study_Sample	Batch=3; Run_order=251; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_139;HRE_HFX_20200925_HRE0010_140
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23A47-BR-00	Class:Study_Sample	Batch=3; Run_order=252; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_141;HRE_HFX_20200925_HRE0010_142
SUBJECT_SAMPLE_FACTORS           	NIST SRM 1953; Organic Contaminants in Non-Fortified Human Milk	NIST1953_HRE0010_03_007	Class:QAQC	Batch=3; Run_order=253; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_143;HRE_HFX_20200925_HRE0010_144
SUBJECT_SAMPLE_FACTORS           	NIST SRM 1954; Organic Contaminants in Fortified Human Milk	NIST1954_HRE0010_03_008	Class:QAQC	Batch=3; Run_order=254; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_145;HRE_HFX_20200925_HRE0010_146
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23QJ2-BR-00	Class:Study_Sample	Batch=3; Run_order=255; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_147;HRE_HFX_20200925_HRE0010_148
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23A21-BR-00	Class:Study_Sample	Batch=3; Run_order=256; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_149;HRE_HFX_20200925_HRE0010_150
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23KU4-BR-00	Class:Study_Sample	Batch=3; Run_order=257; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_151;HRE_HFX_20200925_HRE0010_152
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23L12-BR-00	Class:Study_Sample	Batch=3; Run_order=258; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_153;HRE_HFX_20200925_HRE0010_154
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-240R6-BR-00	Class:Study_Sample	Batch=3; Run_order=259; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_155;HRE_HFX_20200925_HRE0010_156
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23QU8-BR-00	Class:Study_Sample	Batch=3; Run_order=260; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_157;HRE_HFX_20200925_HRE0010_158
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-24034-BR-00	Class:Study_Sample	Batch=3; Run_order=261; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_159;HRE_HFX_20200925_HRE0010_160
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-240U9-BR-00	Class:Study_Sample	Batch=3; Run_order=262; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_161;HRE_HFX_20200925_HRE0010_162
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-24364-BR-00	Class:Study_Sample	Batch=3; Run_order=263; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_163;HRE_HFX_20200925_HRE0010_164
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23CL2-BR-00	Class:Study_Sample	Batch=3; Run_order=264; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_165;HRE_HFX_20200925_HRE0010_166
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-24083-BR-00	Class:Study_Sample	Batch=3; Run_order=265; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_169;HRE_HFX_20200925_HRE0010_170
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23M78-BR-00	Class:Study_Sample	Batch=3; Run_order=266; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_171;HRE_HFX_20200925_HRE0010_172
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23S64-BR-00	Class:Study_Sample	Batch=3; Run_order=267; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_173;HRE_HFX_20200925_HRE0010_174
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23ZG0-BR-00	Class:Study_Sample	Batch=3; Run_order=268; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_175;HRE_HFX_20200925_HRE0010_176
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23VH2-BR-00	Class:Study_Sample	Batch=3; Run_order=269; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_177;HRE_HFX_20200925_HRE0010_178
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23V87-BR-00	Class:Study_Sample	Batch=3; Run_order=270; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_179;HRE_HFX_20200925_HRE0010_180
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23NA5-BR-00	Class:Study_Sample	Batch=3; Run_order=271; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_181;HRE_HFX_20200925_HRE0010_182
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23VB5-BR-00	Class:Study_Sample	Batch=3; Run_order=272; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_183;HRE_HFX_20200925_HRE0010_184
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-24307-BR-00	Class:Study_Sample	Batch=3; Run_order=273; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_185;HRE_HFX_20200925_HRE0010_186
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23K05-BR-00	Class:Study_Sample	Batch=3; Run_order=274; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_187;HRE_HFX_20200925_HRE0010_188
SUBJECT_SAMPLE_FACTORS           	NIST SRM 1953; Organic Contaminants in Non-Fortified Human Milk	NIST1953_HRE0010_03_009	Class:QAQC	Batch=3; Run_order=275; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_189;HRE_HFX_20200925_HRE0010_190
SUBJECT_SAMPLE_FACTORS           	NIST SRM 1954; Organic Contaminants in Fortified Human Milk	NIST1954_HRE0010_03_010	Class:QAQC	Batch=3; Run_order=276; RAW_FILE_NAME=HRE_HFX_20200925_HRE0010_191;HRE_HFX_20200925_HRE0010_192
SUBJECT_SAMPLE_FACTORS           	LC-MS grade water	Water_HRE0010_04_001	Class:Water_blank	Batch=4; Run_order=277; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_001;HRE_HFX_20200926_HRE0010_002
SUBJECT_SAMPLE_FACTORS           	LC-MS grade water	Water_HRE0010_04_002	Class:Water_blank	Batch=4; Run_order=278; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_003;HRE_HFX_20200926_HRE0010_004
SUBJECT_SAMPLE_FACTORS           	NIST SRM 1953; Organic Contaminants in Non-Fortified Human Milk	NIST1953_HRE0010_04_001	Class:QAQC	Batch=4; Run_order=279; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_005;HRE_HFX_20200926_HRE0010_006
SUBJECT_SAMPLE_FACTORS           	NIST SRM 1954; Organic Contaminants in Fortified Human Milk	NIST1954_HRE0010_04_002	Class:QAQC	Batch=4; Run_order=280; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_007;HRE_HFX_20200926_HRE0010_008
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23GK0-BR-00	Class:Study_Sample	Batch=4; Run_order=281; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_009;HRE_HFX_20200926_HRE0010_010
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23D93-BR-00	Class:Study_Sample	Batch=4; Run_order=282; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_011;HRE_HFX_20200926_HRE0010_012
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-240J3-BR-00	Class:Study_Sample	Batch=4; Run_order=283; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_013;HRE_HFX_20200926_HRE0010_014
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23SW2-BR-00	Class:Study_Sample	Batch=4; Run_order=284; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_015;HRE_HFX_20200926_HRE0010_016
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23UF7-BR-00	Class:Study_Sample	Batch=4; Run_order=285; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_017;HRE_HFX_20200926_HRE0010_018
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23J55-BR-00	Class:Study_Sample	Batch=4; Run_order=286; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_019;HRE_HFX_20200926_HRE0010_020
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23H24-BR-00	Class:Study_Sample	Batch=4; Run_order=287; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_021;HRE_HFX_20200926_HRE0010_022
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23RL7-BR-00	Class:Study_Sample	Batch=4; Run_order=288; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_023;HRE_HFX_20200926_HRE0010_024
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23K62-BR-00	Class:Study_Sample	Batch=4; Run_order=289; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_025;HRE_HFX_20200926_HRE0010_026
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23XW7-BR-00	Class:Study_Sample	Batch=4; Run_order=290; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_027;HRE_HFX_20200926_HRE0010_028
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23BY4-BR-00	Class:Study_Sample	Batch=4; Run_order=291; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_029;HRE_HFX_20200926_HRE0010_030
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23X69-BR-00	Class:Study_Sample	Batch=4; Run_order=292; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_031;HRE_HFX_20200926_HRE0010_032
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23XY2-BR-00	Class:Study_Sample	Batch=4; Run_order=293; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_033;HRE_HFX_20200926_HRE0010_034
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23JE0-BR-00	Class:Study_Sample	Batch=4; Run_order=294; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_035;HRE_HFX_20200926_HRE0010_036
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23QN3-BR-00	Class:Study_Sample	Batch=4; Run_order=295; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_037;HRE_HFX_20200926_HRE0010_038
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23FL9-BR-00	Class:Study_Sample	Batch=4; Run_order=296; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_039;HRE_HFX_20200926_HRE0010_040
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23N85-BR-00	Class:Study_Sample	Batch=4; Run_order=297; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_041;HRE_HFX_20200926_HRE0010_042
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23DL1-BR-00	Class:Study_Sample	Batch=4; Run_order=298; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_043;HRE_HFX_20200926_HRE0010_044
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23NG2-BR-00	Class:Study_Sample	Batch=4; Run_order=299; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_045;HRE_HFX_20200926_HRE0010_046
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-240L9-BR-00	Class:Study_Sample	Batch=4; Run_order=300; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_047;HRE_HFX_20200926_HRE0010_048
SUBJECT_SAMPLE_FACTORS           	NIST SRM 1953; Organic Contaminants in Non-Fortified Human Milk	NIST1953_HRE0010_04_003	Class:QAQC	Batch=4; Run_order=301; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_049;HRE_HFX_20200926_HRE0010_050
SUBJECT_SAMPLE_FACTORS           	NIST SRM 1954; Organic Contaminants in Fortified Human Milk	NIST1954_HRE0010_04_004	Class:QAQC	Batch=4; Run_order=302; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_051;HRE_HFX_20200926_HRE0010_052
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23KN9-BR-00	Class:Study_Sample	Batch=4; Run_order=303; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_053;HRE_HFX_20200926_HRE0010_054
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23XQ0-BR-00	Class:Study_Sample	Batch=4; Run_order=304; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_055;HRE_HFX_20200926_HRE0010_056
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23UN9-BR-00	Class:Study_Sample	Batch=4; Run_order=305; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_057;HRE_HFX_20200926_HRE0010_058
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23NE6-BR-00	Class:Study_Sample	Batch=4; Run_order=306; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_059;HRE_HFX_20200926_HRE0010_060
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-241G9-BR-00	Class:Study_Sample	Batch=4; Run_order=307; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_061;HRE_HFX_20200926_HRE0010_062
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23B53-BR-00	Class:Study_Sample	Batch=4; Run_order=308; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_063;HRE_HFX_20200926_HRE0010_064
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23QB0-BR-00	Class:Study_Sample	Batch=4; Run_order=309; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_065;HRE_HFX_20200926_HRE0010_066
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23DK3-BR-00	Class:Study_Sample	Batch=4; Run_order=310; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_067;HRE_HFX_20200926_HRE0010_068
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23UA8-BR-00	Class:Study_Sample	Batch=4; Run_order=311; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_069;HRE_HFX_20200926_HRE0010_070
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23EK2-BR-00	Class:Study_Sample	Batch=4; Run_order=312; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_071;HRE_HFX_20200926_HRE0010_072
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23NX4-BR-00	Class:Study_Sample	Batch=4; Run_order=313; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_073;HRE_HFX_20200926_HRE0010_074
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23FS3-BR-00	Class:Study_Sample	Batch=4; Run_order=314; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_075;HRE_HFX_20200926_HRE0010_076
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23WW8-BR-00	Class:Study_Sample	Batch=4; Run_order=315; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_077;HRE_HFX_20200926_HRE0010_078
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23S49-BR-00	Class:Study_Sample	Batch=4; Run_order=316; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_079;HRE_HFX_20200926_HRE0010_080
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23MN7-BR-00	Class:Study_Sample	Batch=4; Run_order=317; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_081;HRE_HFX_20200926_HRE0010_082
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23UT6-BR-00	Class:Study_Sample	Batch=4; Run_order=318; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_083;HRE_HFX_20200926_HRE0010_084
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-243M4-BR-00	Class:Study_Sample	Batch=4; Run_order=319; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_085;HRE_HFX_20200926_HRE0010_086
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23B04-BR-00	Class:Study_Sample	Batch=4; Run_order=320; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_087;HRE_HFX_20200926_HRE0010_088
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23W60-BR-00	Class:Study_Sample	Batch=4; Run_order=321; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_089;HRE_HFX_20200926_HRE0010_090
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23KG5-BR-00	Class:Study_Sample	Batch=4; Run_order=322; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_091;HRE_HFX_20200926_HRE0010_092
SUBJECT_SAMPLE_FACTORS           	NIST SRM 1953; Organic Contaminants in Non-Fortified Human Milk	NIST1953_HRE0010_04_005	Class:QAQC	Batch=4; Run_order=323; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_093;HRE_HFX_20200926_HRE0010_094
SUBJECT_SAMPLE_FACTORS           	NIST SRM 1954; Organic Contaminants in Fortified Human Milk	NIST1954_HRE0010_04_006	Class:QAQC	Batch=4; Run_order=324; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_095;HRE_HFX_20200926_HRE0010_096
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23DH0-BR-00	Class:Study_Sample	Batch=4; Run_order=325; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_097;HRE_HFX_20200926_HRE0010_098
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23U70-BR-00	Class:Study_Sample	Batch=4; Run_order=326; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_099;HRE_HFX_20200926_HRE0010_100
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23L38-BR-00	Class:Study_Sample	Batch=4; Run_order=327; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_101;HRE_HFX_20200926_HRE0010_102
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23AB6-BR-00	Class:Study_Sample	Batch=4; Run_order=328; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_103;HRE_HFX_20200926_HRE0010_104
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-240P0-BR-00	Class:Study_Sample	Batch=4; Run_order=329; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_105;HRE_HFX_20200926_HRE0010_106
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23F42-BR-00	Class:Study_Sample	Batch=4; Run_order=330; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_107;HRE_HFX_20200926_HRE0010_108
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23CF5-BR-00	Class:Study_Sample	Batch=4; Run_order=331; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_109;HRE_HFX_20200926_HRE0010_110
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23W86-BR-00	Class:Study_Sample	Batch=4; Run_order=332; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_111;HRE_HFX_20200926_HRE0010_112
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23LC3-BR-00	Class:Study_Sample	Batch=4; Run_order=333; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_113;HRE_HFX_20200926_HRE0010_114
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23MX5-BR-00	Class:Study_Sample	Batch=4; Run_order=334; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_115;HRE_HFX_20200926_HRE0010_116
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23W52-BR-00	Class:Study_Sample	Batch=4; Run_order=335; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_117;HRE_HFX_20200926_HRE0010_118
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23BD0-BR-00	Class:Study_Sample	Batch=4; Run_order=336; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_119;HRE_HFX_20200926_HRE0010_120
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23WP3-BR-00	Class:Study_Sample	Batch=4; Run_order=337; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_121;HRE_HFX_20200926_HRE0010_122
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23K96-BR-00	Class:Study_Sample	Batch=4; Run_order=338; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_123;HRE_HFX_20200926_HRE0010_124
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23VU3-BR-00	Class:Study_Sample	Batch=4; Run_order=339; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_125;HRE_HFX_20200926_HRE0010_126
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23MQ1-BR-00	Class:Study_Sample	Batch=4; Run_order=340; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_127;HRE_HFX_20200926_HRE0010_128
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23QR5-BR-00	Class:Study_Sample	Batch=4; Run_order=341; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_129;HRE_HFX_20200926_HRE0010_130
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23YK2-BR-00	Class:Study_Sample	Batch=4; Run_order=342; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_131;HRE_HFX_20200926_HRE0010_132
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23CH1-BR-00	Class:Study_Sample	Batch=4; Run_order=343; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_133;HRE_HFX_20200926_HRE0010_134
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23C60-BR-00	Class:Study_Sample	Batch=4; Run_order=344; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_135;HRE_HFX_20200926_HRE0010_136
SUBJECT_SAMPLE_FACTORS           	NIST SRM 1953; Organic Contaminants in Non-Fortified Human Milk	NIST1953_HRE0010_04_007	Class:QAQC	Batch=4; Run_order=345; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_137;HRE_HFX_20200926_HRE0010_138
SUBJECT_SAMPLE_FACTORS           	NIST SRM 1954; Organic Contaminants in Fortified Human Milk	NIST1954_HRE0010_04_008	Class:QAQC	Batch=4; Run_order=346; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_139;HRE_HFX_20200926_HRE0010_140
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23W37-BR-00	Class:Study_Sample	Batch=4; Run_order=347; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_141;HRE_HFX_20200926_HRE0010_142
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23Z75-BR-00	Class:Study_Sample	Batch=4; Run_order=348; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_143;HRE_HFX_20200926_HRE0010_144
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23AS8-BR-00	Class:Study_Sample	Batch=4; Run_order=349; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_145;HRE_HFX_20200926_HRE0010_146
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23JB7-BR-00	Class:Study_Sample	Batch=4; Run_order=350; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_147;HRE_HFX_20200926_HRE0010_148
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23PB1-BR-00	Class:Study_Sample	Batch=4; Run_order=351; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_149;HRE_HFX_20200926_HRE0010_150
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-241M6-BR-00	Class:Study_Sample	Batch=4; Run_order=352; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_151;HRE_HFX_20200926_HRE0010_152
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23NF4-BR-00	Class:Study_Sample	Batch=4; Run_order=353; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_153;HRE_HFX_20200926_HRE0010_154
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23L79-BR-00	Class:Study_Sample	Batch=4; Run_order=354; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_155;HRE_HFX_20200926_HRE0010_156
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23GM6-BR-00	Class:Study_Sample	Batch=4; Run_order=355; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_157;HRE_HFX_20200926_HRE0010_158
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23WQ1-BR-00	Class:Study_Sample	Batch=4; Run_order=356; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_159;HRE_HFX_20200926_HRE0010_160
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23L46-BR-00	Class:Study_Sample	Batch=4; Run_order=357; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_161;HRE_HFX_20200926_HRE0010_162
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23NS5-BR-00	Class:Study_Sample	Batch=4; Run_order=358; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_163;HRE_HFX_20200926_HRE0010_164
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23R32-BR-00	Class:Study_Sample	Batch=4; Run_order=359; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_165;HRE_HFX_20200926_HRE0010_166
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23B95-BR-00	Class:Study_Sample	Batch=4; Run_order=360; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_167;HRE_HFX_20200926_HRE0010_168
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23PT1-BR-00	Class:Study_Sample	Batch=4; Run_order=361; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_169;HRE_HFX_20200926_HRE0010_170
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23WT4-BR-00	Class:Study_Sample	Batch=4; Run_order=362; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_171;HRE_HFX_20200926_HRE0010_172
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23P34-BR-00	Class:Study_Sample	Batch=4; Run_order=363; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_173;HRE_HFX_20200926_HRE0010_174
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23A96-BR-00	Class:Study_Sample	Batch=4; Run_order=364; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_175;HRE_HFX_20200926_HRE0010_176
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23KB6-BR-00	Class:Study_Sample	Batch=4; Run_order=365; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_177;HRE_HFX_20200926_HRE0010_178
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23JT7-BR-00	Class:Study_Sample	Batch=4; Run_order=366; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_179;HRE_HFX_20200926_HRE0010_180
SUBJECT_SAMPLE_FACTORS           	NIST SRM 1953; Organic Contaminants in Non-Fortified Human Milk	NIST1953_HRE0010_04_009	Class:QAQC	Batch=4; Run_order=367; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_181;HRE_HFX_20200926_HRE0010_182
SUBJECT_SAMPLE_FACTORS           	NIST SRM 1954; Organic Contaminants in Fortified Human Milk	NIST1954_HRE0010_04_010	Class:QAQC	Batch=4; Run_order=368; RAW_FILE_NAME=HRE_HFX_20200926_HRE0010_183;HRE_HFX_20200926_HRE0010_184
SUBJECT_SAMPLE_FACTORS           	LC-MS grade water	Water_HRE0010_05_001	Class:Water_blank	Batch=5; Run_order=369; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_001;HRE_HFX_20200928_HRE0010_002
SUBJECT_SAMPLE_FACTORS           	LC-MS grade water	Water_HRE0010_05_002	Class:Water_blank	Batch=5; Run_order=370; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_003;HRE_HFX_20200928_HRE0010_004
SUBJECT_SAMPLE_FACTORS           	NIST SRM 1953; Organic Contaminants in Non-Fortified Human Milk	NIST1953_HRE0010_05_001	Class:QAQC	Batch=5; Run_order=371; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_005;HRE_HFX_20200928_HRE0010_006
SUBJECT_SAMPLE_FACTORS           	NIST SRM 1954; Organic Contaminants in Fortified Human Milk	NIST1954_HRE0010_05_002	Class:QAQC	Batch=5; Run_order=372; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_007;HRE_HFX_20200928_HRE0010_008
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23C37-BR-00	Class:Study_Sample	Batch=5; Run_order=373; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_009;HRE_HFX_20200928_HRE0010_010
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23TR2-BR-00	Class:Study_Sample	Batch=5; Run_order=374; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_011;HRE_HFX_20200928_HRE0010_012
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23JG6-BR-00	Class:Study_Sample	Batch=5; Run_order=375; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_013;HRE_HFX_20200928_HRE0010_014
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23H81-BR-00	Class:Study_Sample	Batch=5; Run_order=376; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_015;HRE_HFX_20200928_HRE0010_016
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23UK6-BR-00	Class:Study_Sample	Batch=5; Run_order=377; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_017;HRE_HFX_20200928_HRE0010_018
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-243K8-BR-00	Class:Study_Sample	Batch=5; Run_order=378; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_019;HRE_HFX_20200928_HRE0010_020
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23PP0-BR-00	Class:Study_Sample	Batch=5; Run_order=379; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_021;HRE_HFX_20200928_HRE0010_022
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23RP8-BR-00	Class:Study_Sample	Batch=5; Run_order=380; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_023;HRE_HFX_20200928_HRE0010_024
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23RJ1-BR-00	Class:Study_Sample	Batch=5; Run_order=381; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_025;HRE_HFX_20200928_HRE0010_026
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23N69-BR-00	Class:Study_Sample	Batch=5; Run_order=382; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_027;HRE_HFX_20200928_HRE0010_028
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-24240-BR-00	Class:Study_Sample	Batch=5; Run_order=383; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_029;HRE_HFX_20200928_HRE0010_030
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23XV9-BR-00	Class:Study_Sample	Batch=5; Run_order=384; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_031;HRE_HFX_20200928_HRE0010_032
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23CP3-BR-00	Class:Study_Sample	Batch=5; Run_order=385; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_033;HRE_HFX_20200928_HRE0010_034
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23T89-BR-00	Class:Study_Sample	Batch=5; Run_order=386; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_035;HRE_HFX_20200928_HRE0010_036
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23AL4-BR-00	Class:Study_Sample	Batch=5; Run_order=387; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_037;HRE_HFX_20200928_HRE0010_038
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23BH2-BR-00	Class:Study_Sample	Batch=5; Run_order=388; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_039;HRE_HFX_20200928_HRE0010_040
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23YL0-BR-00	Class:Study_Sample	Batch=5; Run_order=389; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_041;HRE_HFX_20200928_HRE0010_042
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23UX7-BR-00	Class:Study_Sample	Batch=5; Run_order=390; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_043;HRE_HFX_20200928_HRE0010_044
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23JD2-BR-00	Class:Study_Sample	Batch=5; Run_order=391; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_045;HRE_HFX_20200928_HRE0010_046
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23SL6-BR-00	Class:Study_Sample	Batch=5; Run_order=392; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_047;HRE_HFX_20200928_HRE0010_048
SUBJECT_SAMPLE_FACTORS           	NIST SRM 1953; Organic Contaminants in Non-Fortified Human Milk	NIST1953_HRE0010_05_003	Class:QAQC	Batch=5; Run_order=393; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_049;HRE_HFX_20200928_HRE0010_050
SUBJECT_SAMPLE_FACTORS           	NIST SRM 1954; Organic Contaminants in Fortified Human Milk	NIST1954_HRE0010_05_004	Class:QAQC	Batch=5; Run_order=394; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_051;HRE_HFX_20200928_HRE0010_052
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23V12-BR-00	Class:Study_Sample	Batch=5; Run_order=395; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_053;HRE_HFX_20200928_HRE0010_054
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23ZN4-BR-00	Class:Study_Sample	Batch=5; Run_order=396; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_055;HRE_HFX_20200928_HRE0010_056
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23KF7-BR-00	Class:Study_Sample	Batch=5; Run_order=397; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_057;HRE_HFX_20200928_HRE0010_058
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23YB2-BR-00	Class:Study_Sample	Batch=5; Run_order=398; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_059;HRE_HFX_20200928_HRE0010_060
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23TD2-BR-00	Class:Study_Sample	Batch=5; Run_order=399; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_061;HRE_HFX_20200928_HRE0010_062
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23FM7-BR-00	Class:Study_Sample	Batch=5; Run_order=400; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_063;HRE_HFX_20200928_HRE0010_064
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-241T0-BR-00	Class:Study_Sample	Batch=5; Run_order=401; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_065;HRE_HFX_20200928_HRE0010_066
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23LQ2-BR-00	Class:Study_Sample	Batch=5; Run_order=402; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_067;HRE_HFX_20200928_HRE0010_068
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23Y92-BR-00	Class:Study_Sample	Batch=5; Run_order=403; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_069;HRE_HFX_20200928_HRE0010_070
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23VS7-BR-00	Class:Study_Sample	Batch=5; Run_order=404; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_071;HRE_HFX_20200928_HRE0010_072
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23CG3-BR-00	Class:Study_Sample	Batch=5; Run_order=405; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_073;HRE_HFX_20200928_HRE0010_074
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23GT0-BR-00	Class:Study_Sample	Batch=5; Run_order=406; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_075;HRE_HFX_20200928_HRE0010_076
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23MT4-BR-00	Class:Study_Sample	Batch=5; Run_order=407; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_077;HRE_HFX_20200928_HRE0010_078
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23Y19-BR-00	Class:Study_Sample	Batch=5; Run_order=408; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_079;HRE_HFX_20200928_HRE0010_080
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23YY1-BR-00	Class:Study_Sample	Batch=5; Run_order=409; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_081;HRE_HFX_20200928_HRE0010_082
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-243Y7-BR-00	Class:Study_Sample	Batch=5; Run_order=410; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_083;HRE_HFX_20200928_HRE0010_084
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-24273-BR-00	Class:Study_Sample	Batch=5; Run_order=411; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_085;HRE_HFX_20200928_HRE0010_086
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23P75-BR-00	Class:Study_Sample	Batch=5; Run_order=412; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_087;HRE_HFX_20200928_HRE0010_088
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23GF1-BR-00	Class:Study_Sample	Batch=5; Run_order=413; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_089;HRE_HFX_20200928_HRE0010_090
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23LK5-BR-00	Class:Study_Sample	Batch=5; Run_order=414; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_091;HRE_HFX_20200928_HRE0010_092
SUBJECT_SAMPLE_FACTORS           	NIST SRM 1953; Organic Contaminants in Non-Fortified Human Milk	NIST1953_HRE0010_05_005	Class:QAQC	Batch=5; Run_order=415; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_093;HRE_HFX_20200928_HRE0010_094
SUBJECT_SAMPLE_FACTORS           	NIST SRM 1954; Organic Contaminants in Fortified Human Milk	NIST1954_HRE0010_05_006	Class:QAQC	Batch=5; Run_order=416; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_095;HRE_HFX_20200928_HRE0010_096
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23GD5-BR-00	Class:Study_Sample	Batch=5; Run_order=417; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_097;HRE_HFX_20200928_HRE0010_098
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23V38-BR-00	Class:Study_Sample	Batch=5; Run_order=418; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_099;HRE_HFX_20200928_HRE0010_100
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23FT1-BR-00	Class:Study_Sample	Batch=5; Run_order=419; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_101;HRE_HFX_20200928_HRE0010_102
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23D85-BR-00	Class:Study_Sample	Batch=5; Run_order=420; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_103;HRE_HFX_20200928_HRE0010_104
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23B20-BR-00	Class:Study_Sample	Batch=5; Run_order=421; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_105;HRE_HFX_20200928_HRE0010_106
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-24117-BR-00	Class:Study_Sample	Batch=5; Run_order=422; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_107;HRE_HFX_20200928_HRE0010_108
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23R08-BR-00	Class:Study_Sample	Batch=5; Run_order=423; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_109;HRE_HFX_20200928_HRE0010_110
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23J48-BR-00	Class:Study_Sample	Batch=5; Run_order=424; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_111;HRE_HFX_20200928_HRE0010_112
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23P42-BR-00	Class:Study_Sample	Batch=5; Run_order=425; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_113;HRE_HFX_20200928_HRE0010_114
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23L95-BR-00	Class:Study_Sample	Batch=5; Run_order=426; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_115;HRE_HFX_20200928_HRE0010_116
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23QA2-BR-00	Class:Study_Sample	Batch=5; Run_order=427; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_117;HRE_HFX_20200928_HRE0010_118
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-243U6-BR-00	Class:Study_Sample	Batch=5; Run_order=428; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_119;HRE_HFX_20200928_HRE0010_120
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23Z67-BR-00	Class:Study_Sample	Batch=5; Run_order=429; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_121;HRE_HFX_20200928_HRE0010_122
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23MP3-BR-00	Class:Study_Sample	Batch=5; Run_order=430; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_123;HRE_HFX_20200928_HRE0010_124
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23A88-BR-00	Class:Study_Sample	Batch=5; Run_order=431; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_125;HRE_HFX_20200928_HRE0010_126
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-24141-BR-00	Class:Study_Sample	Batch=5; Run_order=432; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_127;HRE_HFX_20200928_HRE0010_128
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-24067-BR-00	Class:Study_Sample	Batch=5; Run_order=433; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_129;HRE_HFX_20200928_HRE0010_130
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23C11-BR-00	Class:Study_Sample	Batch=5; Run_order=434; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_131;HRE_HFX_20200928_HRE0010_132
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23SP7-BR-00	Class:Study_Sample	Batch=5; Run_order=435; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_133;HRE_HFX_20200928_HRE0010_134
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-242L7-BR-00	Class:Study_Sample	Batch=5; Run_order=436; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_135;HRE_HFX_20200928_HRE0010_136
SUBJECT_SAMPLE_FACTORS           	NIST SRM 1953; Organic Contaminants in Non-Fortified Human Milk	NIST1953_HRE0010_05_007	Class:QAQC	Batch=5; Run_order=437; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_137;HRE_HFX_20200928_HRE0010_138
SUBJECT_SAMPLE_FACTORS           	NIST SRM 1954; Organic Contaminants in Fortified Human Milk	NIST1954_HRE0010_05_008	Class:QAQC	Batch=5; Run_order=438; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_139;HRE_HFX_20200928_HRE0010_140
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23MY3-BR-00	Class:Study_Sample	Batch=5; Run_order=439; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_141;HRE_HFX_20200928_HRE0010_142
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23RG8-BR-00	Class:Study_Sample	Batch=5; Run_order=440; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_143;HRE_HFX_20200928_HRE0010_144
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23X93-BR-00	Class:Study_Sample	Batch=5; Run_order=441; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_145;HRE_HFX_20200928_HRE0010_146
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-24299-BR-00	Class:Study_Sample	Batch=5; Run_order=442; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_147;HRE_HFX_20200928_HRE0010_148
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-241H7-BR-00	Class:Study_Sample	Batch=5; Run_order=443; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_149;HRE_HFX_20200928_HRE0010_150
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-242A1-BR-00	Class:Study_Sample	Batch=5; Run_order=444; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_151;HRE_HFX_20200928_HRE0010_152
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23ZL9-BR-00	Class:Study_Sample	Batch=5; Run_order=445; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_153;HRE_HFX_20200928_HRE0010_154
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23MM0-BR-00	Class:Study_Sample	Batch=5; Run_order=446; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_155;HRE_HFX_20200928_HRE0010_156
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-243V4-BR-00	Class:Study_Sample	Batch=5; Run_order=447; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_157;HRE_HFX_20200928_HRE0010_158
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23SM4-BR-00	Class:Study_Sample	Batch=5; Run_order=448; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_159;HRE_HFX_20200928_HRE0010_160
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23DG2-BR-00	Class:Study_Sample	Batch=5; Run_order=449; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_161;HRE_HFX_20200928_HRE0010_162
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23UQ3-BR-00	Class:Study_Sample	Batch=5; Run_order=450; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_163;HRE_HFX_20200928_HRE0010_164
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23WC2-BR-00	Class:Study_Sample	Batch=5; Run_order=451; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_165;HRE_HFX_20200928_HRE0010_166
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23PQ8-BR-00	Class:Study_Sample	Batch=5; Run_order=452; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_167;HRE_HFX_20200928_HRE0010_168
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-243B8-BR-00	Class:Study_Sample	Batch=5; Run_order=453; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_169;HRE_HFX_20200928_HRE0010_170
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23AA8-BR-00	Class:Study_Sample	Batch=5; Run_order=454; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_171;HRE_HFX_20200928_HRE0010_172
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23PY0-BR-00	Class:Study_Sample	Batch=5; Run_order=455; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_173;HRE_HFX_20200928_HRE0010_174
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23K13-BR-00	Class:Study_Sample	Batch=5; Run_order=456; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_175;HRE_HFX_20200928_HRE0010_176
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-242Q6-BR-00	Class:Study_Sample	Batch=5; Run_order=457; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_177;HRE_HFX_20200928_HRE0010_178
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23XD8-BR-00	Class:Study_Sample	Batch=5; Run_order=458; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_179;HRE_HFX_20200928_HRE0010_180
SUBJECT_SAMPLE_FACTORS           	NIST SRM 1953; Organic Contaminants in Non-Fortified Human Milk	NIST1953_HRE0010_05_009	Class:QAQC	Batch=5; Run_order=459; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_181;HRE_HFX_20200928_HRE0010_182
SUBJECT_SAMPLE_FACTORS           	NIST SRM 1954; Organic Contaminants in Fortified Human Milk	NIST1954_HRE0010_05_010	Class:QAQC	Batch=5; Run_order=460; RAW_FILE_NAME=HRE_HFX_20200928_HRE0010_183;HRE_HFX_20200928_HRE0010_184
SUBJECT_SAMPLE_FACTORS           	LC-MS grade water	Water_HRE0010_06_001	Class:Water_blank	Batch=6; Run_order=461; RAW_FILE_NAME=HRE_HFX_20200929_HRE0010_001;HRE_HFX_20200929_HRE0010_002
SUBJECT_SAMPLE_FACTORS           	LC-MS grade water	Water_HRE0010_06_002	Class:Water_blank	Batch=6; Run_order=462; RAW_FILE_NAME=HRE_HFX_20200929_HRE0010_003;HRE_HFX_20200929_HRE0010_004
SUBJECT_SAMPLE_FACTORS           	NIST SRM 1953; Organic Contaminants in Non-Fortified Human Milk	NIST1953_HRE0010_06_001	Class:QAQC	Batch=6; Run_order=463; RAW_FILE_NAME=HRE_HFX_20200929_HRE0010_005;HRE_HFX_20200929_HRE0010_006
SUBJECT_SAMPLE_FACTORS           	NIST SRM 1954; Organic Contaminants in Fortified Human Milk	NIST1954_HRE0010_06_002	Class:QAQC	Batch=6; Run_order=464; RAW_FILE_NAME=HRE_HFX_20200929_HRE0010_007;HRE_HFX_20200929_HRE0010_008
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23EJ4-BR-00	Class:Study_Sample	Batch=6; Run_order=465; RAW_FILE_NAME=HRE_HFX_20200929_HRE0010_009;HRE_HFX_20200929_HRE0010_010
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23W78-BR-00	Class:Study_Sample	Batch=6; Run_order=466; RAW_FILE_NAME=HRE_HFX_20200929_HRE0010_011;HRE_HFX_20200929_HRE0010_012
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23XU1-BR-00	Class:Study_Sample	Batch=6; Run_order=467; RAW_FILE_NAME=HRE_HFX_20200929_HRE0010_013;HRE_HFX_20200929_HRE0010_014
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23UY5-BR-00	Class:Study_Sample	Batch=6; Run_order=468; RAW_FILE_NAME=HRE_HFX_20200929_HRE0010_015;HRE_HFX_20200929_HRE0010_016
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23KC4-BR-00	Class:Study_Sample	Batch=6; Run_order=469; RAW_FILE_NAME=HRE_HFX_20200929_HRE0010_017;HRE_HFX_20200929_HRE0010_018
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23NY2-BR-00	Class:Study_Sample	Batch=6; Run_order=470; RAW_FILE_NAME=HRE_HFX_20200929_HRE0010_019;HRE_HFX_20200929_HRE0010_020
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23KY5-BR-00	Class:Study_Sample	Batch=6; Run_order=471; RAW_FILE_NAME=HRE_HFX_20200929_HRE0010_021;HRE_HFX_20200929_HRE0010_022
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23BC3-BR-00	Class:Study_Sample	Batch=6; Run_order=472; RAW_FILE_NAME=HRE_HFX_20200929_HRE0010_023;HRE_HFX_20200929_HRE0010_024
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23JK7-BR-00	Class:Study_Sample	Batch=6; Run_order=473; RAW_FILE_NAME=HRE_HFX_20200929_HRE0010_025;HRE_HFX_20200929_HRE0010_026
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23UW0-BR-00	Class:Study_Sample	Batch=6; Run_order=474; RAW_FILE_NAME=HRE_HFX_20200929_HRE0010_027;HRE_HFX_20200929_HRE0010_028
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23VW9-BR-00	Class:Study_Sample	Batch=6; Run_order=475; RAW_FILE_NAME=HRE_HFX_20200929_HRE0010_029;HRE_HFX_20200929_HRE0010_030
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23U62-BR-00	Class:Study_Sample	Batch=6; Run_order=476; RAW_FILE_NAME=HRE_HFX_20200929_HRE0010_031;HRE_HFX_20200929_HRE0010_032
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23HW3-BR-00	Class:Study_Sample	Batch=6; Run_order=477; RAW_FILE_NAME=HRE_HFX_20200929_HRE0010_033;HRE_HFX_20200929_HRE0010_034
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23RR4-BR-00	Class:Study_Sample	Batch=6; Run_order=478; RAW_FILE_NAME=HRE_HFX_20200929_HRE0010_035;HRE_HFX_20200929_HRE0010_036
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23BK5-BR-00	Class:Study_Sample	Batch=6; Run_order=479; RAW_FILE_NAME=HRE_HFX_20200929_HRE0010_037;HRE_HFX_20200929_HRE0010_038
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23AM2-BR-00	Class:Study_Sample	Batch=6; Run_order=480; RAW_FILE_NAME=HRE_HFX_20200929_HRE0010_039;HRE_HFX_20200929_HRE0010_040
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-24422-BR-00	Class:Study_Sample	Batch=6; Run_order=481; RAW_FILE_NAME=HRE_HFX_20200929_HRE0010_041;HRE_HFX_20200929_HRE0010_042
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23NK3-BR-00	Class:Study_Sample	Batch=6; Run_order=482; RAW_FILE_NAME=HRE_HFX_20200929_HRE0010_043;HRE_HFX_20200929_HRE0010_044
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23LM1-BR-00	Class:Study_Sample	Batch=6; Run_order=483; RAW_FILE_NAME=HRE_HFX_20200929_HRE0010_045;HRE_HFX_20200929_HRE0010_046
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23X10-BR-00	Class:Study_Sample	Batch=6; Run_order=484; RAW_FILE_NAME=HRE_HFX_20200929_HRE0010_047;HRE_HFX_20200929_HRE0010_048
SUBJECT_SAMPLE_FACTORS           	NIST SRM 1953; Organic Contaminants in Non-Fortified Human Milk	NIST1953_HRE0010_06_003	Class:QAQC	Batch=6; Run_order=485; RAW_FILE_NAME=HRE_HFX_20200929_HRE0010_049;HRE_HFX_20200929_HRE0010_050
SUBJECT_SAMPLE_FACTORS           	NIST SRM 1954; Organic Contaminants in Fortified Human Milk	NIST1954_HRE0010_06_004	Class:QAQC	Batch=6; Run_order=486; RAW_FILE_NAME=HRE_HFX_20200929_HRE0010_051;HRE_HFX_20200929_HRE0010_052
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-241P9-BR-00	Class:Study_Sample	Batch=6; Run_order=487; RAW_FILE_NAME=HRE_HFX_20200929_HRE0010_053;HRE_HFX_20200929_HRE0010_054
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23CX5-BR-00	Class:Study_Sample	Batch=6; Run_order=488; RAW_FILE_NAME=HRE_HFX_20200929_HRE0010_055;HRE_HFX_20200929_HRE0010_056
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23HQ6-BR-00	Class:Study_Sample	Batch=6; Run_order=489; RAW_FILE_NAME=HRE_HFX_20200929_HRE0010_057;HRE_HFX_20200929_HRE0010_058
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23NJ5-BR-00	Class:Study_Sample	Batch=6; Run_order=490; RAW_FILE_NAME=HRE_HFX_20200929_HRE0010_059;HRE_HFX_20200929_HRE0010_060
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23G90-BR-00	Class:Study_Sample	Batch=6; Run_order=491; RAW_FILE_NAME=HRE_HFX_20200929_HRE0010_061;HRE_HFX_20200929_HRE0010_062
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23JA9-BR-00	Class:Study_Sample	Batch=6; Run_order=492; RAW_FILE_NAME=HRE_HFX_20200929_HRE0010_063;HRE_HFX_20200929_HRE0010_064
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23PL9-BR-00	Class:Study_Sample	Batch=6; Run_order=493; RAW_FILE_NAME=HRE_HFX_20200929_HRE0010_065;HRE_HFX_20200929_HRE0010_066
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-242G8-BR-00	Class:Study_Sample	Batch=6; Run_order=494; RAW_FILE_NAME=HRE_HFX_20200929_HRE0010_067;HRE_HFX_20200929_HRE0010_068
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23U54-BR-00	Class:Study_Sample	Batch=6; Run_order=495; RAW_FILE_NAME=HRE_HFX_20200929_HRE0010_069;HRE_HFX_20200929_HRE0010_070
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23Z83-BR-00	Class:Study_Sample	Batch=6; Run_order=496; RAW_FILE_NAME=HRE_HFX_20200929_HRE0010_071;HRE_HFX_20200929_HRE0010_072
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23AQ3-BR-00	Class:Study_Sample	Batch=6; Run_order=497; RAW_FILE_NAME=HRE_HFX_20200929_HRE0010_073;HRE_HFX_20200929_HRE0010_074
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23FU9-BR-00	Class:Study_Sample	Batch=6; Run_order=498; RAW_FILE_NAME=HRE_HFX_20200929_HRE0010_075;HRE_HFX_20200929_HRE0010_076
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23XK3-BR-00	Class:Study_Sample	Batch=6; Run_order=499; RAW_FILE_NAME=HRE_HFX_20200929_HRE0010_077;HRE_HFX_20200929_HRE0010_078
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23YV8-BR-00	Class:Study_Sample	Batch=6; Run_order=500; RAW_FILE_NAME=HRE_HFX_20200929_HRE0010_079;HRE_HFX_20200929_HRE0010_080
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23Q09-BR-00	Class:Study_Sample	Batch=6; Run_order=501; RAW_FILE_NAME=HRE_HFX_20200929_HRE0010_081;HRE_HFX_20200929_HRE0010_082
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23NM9-BR-00	Class:Study_Sample	Batch=6; Run_order=502; RAW_FILE_NAME=HRE_HFX_20200929_HRE0010_083;HRE_HFX_20200929_HRE0010_084
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23G66-BR-00	Class:Study_Sample	Batch=6; Run_order=503; RAW_FILE_NAME=HRE_HFX_20200929_HRE0010_085;HRE_HFX_20200929_HRE0010_086
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23MS6-BR-00	Class:Study_Sample	Batch=6; Run_order=504; RAW_FILE_NAME=HRE_HFX_20200929_HRE0010_087;HRE_HFX_20200929_HRE0010_088
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23LX6-BR-00	Class:Study_Sample	Batch=6; Run_order=505; RAW_FILE_NAME=HRE_HFX_20200929_HRE0010_089;HRE_HFX_20200929_HRE0010_090
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23BE8-BR-00	Class:Study_Sample	Batch=6; Run_order=506; RAW_FILE_NAME=HRE_HFX_20200929_HRE0010_091;HRE_HFX_20200929_HRE0010_092
SUBJECT_SAMPLE_FACTORS           	NIST SRM 1953; Organic Contaminants in Non-Fortified Human Milk	NIST1953_HRE0010_06_005	Class:QAQC	Batch=6; Run_order=507; RAW_FILE_NAME=HRE_HFX_20200929_HRE0010_093;HRE_HFX_20200929_HRE0010_094
SUBJECT_SAMPLE_FACTORS           	NIST SRM 1954; Organic Contaminants in Fortified Human Milk	NIST1954_HRE0010_06_006	Class:QAQC	Batch=6; Run_order=508; RAW_FILE_NAME=HRE_HFX_20200929_HRE0010_095;HRE_HFX_20200929_HRE0010_096
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23C94-BR-00	Class:Study_Sample	Batch=6; Run_order=509; RAW_FILE_NAME=HRE_HFX_20200929_HRE0010_097;HRE_HFX_20200929_HRE0010_098
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23YE5-BR-00	Class:Study_Sample	Batch=6; Run_order=510; RAW_FILE_NAME=HRE_HFX_20200929_HRE0010_099;HRE_HFX_20200929_HRE0010_100
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23SF9-BR-00	Class:Study_Sample	Batch=6; Run_order=511; RAW_FILE_NAME=HRE_HFX_20200929_HRE0010_101;HRE_HFX_20200929_HRE0010_102
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23GU8-BR-00	Class:Study_Sample	Batch=6; Run_order=512; RAW_FILE_NAME=HRE_HFX_20200929_HRE0010_103;HRE_HFX_20200929_HRE0010_104
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23K88-BR-00	Class:Study_Sample	Batch=6; Run_order=513; RAW_FILE_NAME=HRE_HFX_20200929_HRE0010_105;HRE_HFX_20200929_HRE0010_106
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23AG5-BR-00	Class:Study_Sample	Batch=6; Run_order=514; RAW_FILE_NAME=HRE_HFX_20200929_HRE0010_107;HRE_HFX_20200929_HRE0010_108
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23S15-BR-00	Class:Study_Sample	Batch=6; Run_order=515; RAW_FILE_NAME=HRE_HFX_20200929_HRE0010_109;HRE_HFX_20200929_HRE0010_110
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23YW6-BR-00	Class:Study_Sample	Batch=6; Run_order=516; RAW_FILE_NAME=HRE_HFX_20200929_HRE0010_111;HRE_HFX_20200929_HRE0010_112
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23RY8-BR-00	Class:Study_Sample	Batch=6; Run_order=517; RAW_FILE_NAME=HRE_HFX_20200929_HRE0010_113;HRE_HFX_20200929_HRE0010_114
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23Y50-BR-00	Class:Study_Sample	Batch=6; Run_order=518; RAW_FILE_NAME=HRE_HFX_20200929_HRE0010_115;HRE_HFX_20200929_HRE0010_116
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23TP6-BR-00_2	Class:Study_Sample	Batch=6; Run_order=519; RAW_FILE_NAME=HRE_HFX_20200929_HRE0010_117;HRE_HFX_20200929_HRE0010_118
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23S72-BR-00_2	Class:Study_Sample	Batch=6; Run_order=520; RAW_FILE_NAME=HRE_HFX_20200929_HRE0010_119;HRE_HFX_20200929_HRE0010_120
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-242N2-BR-00_2	Class:Study_Sample	Batch=6; Run_order=521; RAW_FILE_NAME=HRE_HFX_20200929_HRE0010_121;HRE_HFX_20200929_HRE0010_122
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23ZA3-BR-00_2	Class:Study_Sample	Batch=6; Run_order=522; RAW_FILE_NAME=HRE_HFX_20200929_HRE0010_123;HRE_HFX_20200929_HRE0010_124
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23EY1-BR-00_2	Class:Study_Sample	Batch=6; Run_order=523; RAW_FILE_NAME=HRE_HFX_20200929_HRE0010_125;HRE_HFX_20200929_HRE0010_126
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23RF0-BR-00_2	Class:Study_Sample	Batch=6; Run_order=524; RAW_FILE_NAME=HRE_HFX_20200929_HRE0010_127;HRE_HFX_20200929_HRE0010_128
SUBJECT_SAMPLE_FACTORS           	Breast_Milk	C-23MU2-BR-00_2	Class:Study_Sample	Batch=6; Run_order=525; RAW_FILE_NAME=HRE_HFX_20200929_HRE0010_129;HRE_HFX_20200929_HRE0010_130
SUBJECT_SAMPLE_FACTORS           	NIST SRM 1953; Organic Contaminants in Non-Fortified Human Milk	NIST1953_HRE0010_06_007	Class:QAQC	Batch=6; Run_order=526; RAW_FILE_NAME=HRE_HFX_20200929_HRE0010_131;HRE_HFX_20200929_HRE0010_132
SUBJECT_SAMPLE_FACTORS           	NIST SRM 1954; Organic Contaminants in Fortified Human Milk	NIST1954_HRE0010_06_008	Class:QAQC	Batch=6; Run_order=527; RAW_FILE_NAME=HRE_HFX_20200929_HRE0010_133;HRE_HFX_20200929_HRE0010_134
#COLLECTION
CO:COLLECTION_SUMMARY            	The study includes archived biological samples collected during pregnancy
CO:COLLECTION_SUMMARY            	(maternal blood, urine, and hair), birth (infant cord blood, placenta, and
CO:COLLECTION_SUMMARY            	meconium), and childhood (urine, blood, buccal cells, breast milk, toenails, and
CO:COLLECTION_SUMMARY            	stool), and further health outcomes are being assessed through DNA methylation
CO:COLLECTION_SUMMARY            	arrays, gene expression, microbiome sequencing, metabolomics and flow cytometry
CO:COLLECTION_SUMMARY            	of these samples. Breast milk samples were collected at home by study
CO:COLLECTION_SUMMARY            	participants from unsterilized bilateral breasts, with separate study-provided
CO:COLLECTION_SUMMARY            	sterile collection bottles used for milk from each breast. To capture a
CO:COLLECTION_SUMMARY            	representative portrait of infant exposure during breastfeeding we did not use a
CO:COLLECTION_SUMMARY            	sterile collection protocol. Subjects provided a minimum of 18 mL and up to 80
CO:COLLECTION_SUMMARY            	mL of milk from each breast, with a median of 35 mL per breast. Samples were
CO:COLLECTION_SUMMARY            	stored in the refrigerator at participants homes for up to approximately 1 day,
CO:COLLECTION_SUMMARY            	brought in cold packs to the postpartum follow-up appointment (between 3.7 and
CO:COLLECTION_SUMMARY            	12 weeks after delivery), and immediately chilled. Samples were processed within
CO:COLLECTION_SUMMARY            	24 h of receipt. Samples were stored at -80C until analysis
CO:SAMPLE_TYPE                   	Breast milk
CO:STORAGE_CONDITIONS            	-80℃
#TREATMENT
TR:TREATMENT_SUMMARY             	Study subjects were from the New Hampshire Birth Cohort Study (NHBCS). Eligible
TR:TREATMENT_SUMMARY             	participants for this birth cohort are pregnant women between the ages of 18 and
TR:TREATMENT_SUMMARY             	45 years who report using a private well for their home water source and are
TR:TREATMENT_SUMMARY             	receiving prenatal care in clinics in New Hampshire, United States, as
TR:TREATMENT_SUMMARY             	previously described (Gilbert-Diamond et al., 2011; Farzan et al., 2013).
TR:TREATMENT_SUMMARY             	Subjects were recruited between approximately 24 and 28 weeks of gestation at
TR:TREATMENT_SUMMARY             	routine prenatal visits. The Center for the Protection of Human Subjects at
TR:TREATMENT_SUMMARY             	Dartmouth gave institutional review board approval, and all methods were
TR:TREATMENT_SUMMARY             	performed according to guidelines. All subjects gave written informed consent
TR:TREATMENT_SUMMARY             	for participation for themselves and their infants. The study is observational,
TR:TREATMENT_SUMMARY             	and no treatment occurred.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Prior to sample preparation, breast milk samples were thawed on ice and then
SP:SAMPLEPREP_SUMMARY            	vortexed thoroughly to prevent separation of lipid-rich and aqueous phases.
SP:SAMPLEPREP_SUMMARY            	Extracts were prepared by treating 75μL of breastmilk sample with 150μL of
SP:SAMPLEPREP_SUMMARY            	LC-MS grade acetonitrile containing a series of XX 13C-labelled internal
SP:SAMPLEPREP_SUMMARY            	standards (listed below), vortexed, and allowed to equilibrate at 4C for 30
SP:SAMPLEPREP_SUMMARY            	minutes. The extract was then centrifuged for 10 mins at 18,1000 x g and 4C, and
SP:SAMPLEPREP_SUMMARY            	50μL of extract was transferred to an LC autosampler vial containing 50μL of
SP:SAMPLEPREP_SUMMARY            	water and placed in a refrigerated autosampler until analysis. Following the
SP:SAMPLEPREP_SUMMARY            	same protocol, for each batch matrix blank (replacing the breast milk with H2O)
SP:SAMPLEPREP_SUMMARY            	and multiple QAQC samples were extracted. Internal standards used include
SP:SAMPLEPREP_SUMMARY            	[13C3]-Cortisol, [13C6]-NNAL, [trimethyl-13C3]-caffeine, [13C8]-PFOA,
SP:SAMPLEPREP_SUMMARY            	[13C8]-PFOS, [13C5]-L-methionine, [13C3]-Cotinine, [13C9, 15N]-L-tyrosine,
SP:SAMPLEPREP_SUMMARY            	[13C5, 15N]-L-glutamic acid, [13C3]-glyphosate, [13C6]-D-glucose, [13C9]-PFNA,
SP:SAMPLEPREP_SUMMARY            	[13C6]-PFHxA, [13C6]-PFHxS, [13C9]-PFDeA and [13C9]-PFUDeA, and were added at
SP:SAMPLEPREP_SUMMARY            	levels comparable to those in human plasma samples.
SP:PROCESSING_STORAGE_CONDITIONS 	4℃
SP:EXTRACTION_METHOD             	Protein precipitation with acetontrile.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Sample extracts were analyzed using an ultra-high performance liquid
CH:CHROMATOGRAPHY_SUMMARY        	chromatography (UHPLC) equipped with dual pumps for both C18-pos and
CH:CHROMATOGRAPHY_SUMMARY        	C18-negative analysis using a Thermo Scientific Vanquish Duo LC interfaced to a
CH:CHROMATOGRAPHY_SUMMARY        	Thermo Scientific Q-Exactive HFX with electrospray ionization source operated in
CH:CHROMATOGRAPHY_SUMMARY        	negative mode. Samples were maintained at 4C in the autosampler module. For
CH:CHROMATOGRAPHY_SUMMARY        	C18-neg separation, 5 uL of sample was injected onto a C18 columns (50 mm × 2.1
CH:CHROMATOGRAPHY_SUMMARY        	mm, 5 µm particle size, Higgins Analytical Inc) maintained at 30C. Separation
CH:CHROMATOGRAPHY_SUMMARY        	occurred using Mobile phase A consisted of water with 10mM ammonium acetate and
CH:CHROMATOGRAPHY_SUMMARY        	Mobile phase B consisted of Acetonitrile. Flow rate was held at at 0.4 ml/min
CH:CHROMATOGRAPHY_SUMMARY        	for 1.5 mins, and increased to 0.5 ml/min. Solvent gradients were as follows:
CH:CHROMATOGRAPHY_SUMMARY        	85% solvent A, hold for 1.5 min; linear decrease to 5% solvent A at 5 minutes;
CH:CHROMATOGRAPHY_SUMMARY        	hold for 2.5 min, for a total run time of 7.5 min Data was acquired with a mass
CH:CHROMATOGRAPHY_SUMMARY        	range of 85-1275 m/z.
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Thermo Vanquish
CH:COLUMN_NAME                   	Higgins Analytical Targa C18 (50 mm × 2.1 mm, 5 µm)
CH:FLOW_RATE                     	0.4-0.5 mL/min
CH:COLUMN_TEMPERATURE            	30C
CH:SOLVENT_A                     	Water with 10mM ammonium acetate
CH:SOLVENT_B                     	Acetonitrile
CH:ANALYTICAL_TIME               	7.5 min
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:LABORATORY_NAME               	High Resolution Exposomics Laboratory
AN:PROCESSING_PARAMETERS_FILE    	apLCMSv6.6.8_runscript_c18-neg_HRE0010_02Dec2020.r;
AN:PROCESSING_PARAMETERS_FILE    	xMSanalyzer_v2.0.8_HRE0010-C18neg_18Dec2020.r
AN:DATA_FORMAT                   	.RAW
#MS
MS:INSTRUMENT_NAME               	Thermo Q-Exactive HFX
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	NEGATIVE
MS:MS_COMMENTS                   	Analysis was performed for all batches in each mode. Database dependent targeted
MS:MS_COMMENTS                   	identification: Metabolites were identified based upon in-house database
MS:MS_COMMENTS                   	matching considering retention time, accurate mass, and MSMS matching (when
MS:MS_COMMENTS                   	available) matching with pure standards analyzed under the same conditions.
MS:MS_COMMENTS                   	Untargeted feature tables were generated by converting .RAW files to mzXML, and
MS:MS_COMMENTS                   	extracted using apLCMS at 5 different peak detection parameters. The resulting
MS:MS_COMMENTS                   	tables were merged using xMSanalyzer to remove redundant peaks, and batch
MS:MS_COMMENTS                   	corrected using ComBAT. All scripts for data extraction are included in the raw
MS:MS_COMMENTS                   	datafile uploads.
MS:CAPILLARY_TEMPERATURE         	300
MS:CAPILLARY_VOLTAGE             	4000 (S-Lens RF)
MS:DRY_GAS_FLOW                  	45
MS:IONIZATION                    	Negative
MS:SOURCE_TEMPERATURE            	250
MS:SPRAY_VOLTAGE                 	-4000
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	Peak intensity
MS_METABOLITE_DATA_START
Samples	Water_HRE0010_01_001	Water_HRE0010_01_002	NIST1953_HRE0010_01_001	NIST1954_HRE0010_01_002	C-23ZQ8-BR-00	C-240M7-BR-00	C-242D4-BR-00	C-23NU1-BR-00	C-242R4-BR-00	C-23ZB1-BR-00	C-23N77-BR-00	C-23NN6-BR-00	C-23DX4-BR-00	C-23AW0-BR-00	C-23B38-BR-00	C-23BP4-BR-00	C-23TY6-BR-00	C-241J2-BR-00	C-23LT5-BR-00	C-23AK6-BR-00	C-23R24-BR-00	C-23VL3-BR-00	C-23DS5-BR-00	C-23ZJ3-BR-00	NIST1953_HRE0010_01_003	NIST1954_HRE0010_01_004	C-23RB9-BR-00	C-23SE1-BR-00	C-240A3-BR-00	C-23HD4-BR-00	C-24109-BR-00	C-23YP1-BR-00	C-23Z00-BR-00	C-23U05-BR-00	C-23MJ6-BR-00	C-23YR7-BR-00	C-23VV1-BR-00	C-243W2-BR-00	C-23TN0-BR-00	C-23QL8-BR-00	C-23N93-BR-00	C-23PJ3-BR-00	C-23UJ8-BR-00	C-23WF5-BR-00	C-23ZM7-BR-00	C-241B0-BR-00	NIST1953_HRE0010_01_005	NIST1954_HRE0010_01_006	C-241U8-BR-00	C-23TU5-BR-00	C-240B1-BR-00	C-23BJ7-BR-00	C-23WG3-BR-00	C-242X0-BR-00	C-23VC3-BR-00	C-242B9-BR-00	C-23ZS3-BR-00	C-23QC8-BR-00	C-23RD4-BR-00	C-23M52-BR-00	C-23V53-BR-00	C-23WM0-BR-00	C-241V6-BR-00	C-23J89-BR-00	C-23AT6-BR-00	C-23J97-BR-00	C-23G17-BR-00	C-23AV2-BR-00	NIST1953_HRE0010_01_007	NIST1954_HRE0010_01_008	C-24331-BR-00	C-23MG3-BR-00	C-242P8-BR-00	C-23XB3-BR-00	C-23LY4-BR-00	C-23XM9-BR-00	C-23HU7-BR-00	C-24091-BR-00	C-23SC6-BR-00	C-23Z59-BR-00	C-23ME7-BR-00	C-23BQ2-BR-00	C-241N3-BR-00	C-23GQ7-BR-00	C-23S07-BR-00	C-23W03-BR-00	C-23HE2-BR-00	C-23TF8-BR-00	C-23QF1-BR-00	C-23CD9-BR-00	NIST1953_HRE0010_01_009	NIST1954_HRE0010_01_010	Water_HRE0010_02_001	Water_HRE0010_02_002	NIST1953_HRE0010_02_001	NIST1954_HRE0010_02_002	C-23M86-BR-00	C-242V5-BR-00	C-23WL2-BR-00	C-23XC1-BR-00	C-23D44-BR-00	C-23CA6-BR-00	C-23YH9-BR-00	C-23VD0-BR-00	C-240W5-BR-00	C-23ES4-BR-00	C-23GV6-BR-00	C-23XN6-BR-00	C-23TP6-BR-00	C-23FD6-BR-00	C-23H16-BR-00	C-23M45-BR-00	C-23DU1-BR-00	C-23R16-BR-00	C-23T55-BR-00	C-243L6-BR-00	NIST1953_HRE0010_02_003	NIST1954_HRE0010_02_004	C-23B79-BR-00	C-23Y84-BR-00	C-23UV2-BR-00	C-23KH3-BR-00	C-23PW5-BR-00	C-23J22-BR-00	C-23S72-BR-00	C-23Q82-BR-00	C-23T97-BR-00	C-23KT6-BR-00	C-23DV9-BR-00	C-23QS2-BR-00	C-23P18-BR-00	C-23C45-BR-00	C-242Y8-BR-00	C-242N2-BR-00	C-23RA1-BR-00	C-23LP4-BR-00	C-23TX8-BR-00	C-240V7-BR-00	NIST1953_HRE0010_02_005	NIST1954_HRE0010_02_006	C-23FC9-BR-00	C-23Y01-BR-00	C-243C6-BR-00	C-23FF2-BR-00	C-23ZA3-BR-00	C-23ZX2-BR-00	C-23AY5-BR-00	C-23VJ7-BR-00	C-23BX6-BR-00	C-23Q66-BR-00	C-23X44-BR-00	C-23KA8-BR-00	C-23NR8-BR-00	C-23HL7-BR-00	C-24125-BR-00	C-23T48-BR-00	C-242C7-BR-00	C-23Q25-BR-00	C-23S98-BR-00	C-23XL1-BR-00	NIST1953_HRE0010_02_007	NIST1954_HRE0010_02_008	C-23RH6-BR-00	C-23DP2-BR-00	C-23SN1-BR-00	C-23W29-BR-00	C-23M03-BR-00	C-23DE6-BR-00	C-23JM3-BR-00	C-23PU9-BR-00	C-240D6-BR-00	C-23CE7-BR-00	C-23R57-BR-00	C-23DY2-BR-00	C-23X77-BR-00	C-23EY1-BR-00	C-23VR0-BR-00	C-23Y35-BR-00	C-23EP1-BR-00	C-23RF0-BR-00	C-23MU2-BR-00	C-23NL1-BR-00	NIST1953_HRE0010_02_009	NIST1954_HRE0010_02_010	Water_HRE0010_03_001	Water_HRE0010_03_002	NIST1953_HRE0010_03_001	NIST1954_HRE0010_03_002	C-23PS3-BR-00	C-23GP9-BR-00	C-23ST8-BR-00	C-23AF7-BR-00	C-23DT3-BR-00	C-23KK6-BR-00	C-23RN2-BR-00	C-23JU5-BR-00	C-23K21-BR-00	C-23S80-BR-00	C-23V79-BR-00	C-24406-BR-00	C-23FW5-BR-00	C-23FR6-BR-00	C-23CQ1-BR-00	C-23L04-BR-00	C-23VN8-BR-00	C-23DW7-BR-00	C-23P00-BR-00	C-23FK1-BR-00	NIST1953_HRE0010_03_003	NIST1954_HRE0010_03_004	C-23NQ0-BR-00	C-23Q17-BR-00	C-23QG9-BR-00	C-23XR8-BR-00	C-23CU2-BR-00	C-23HP8-BR-00	C-23MC2-BR-00	C-23TB7-BR-00	C-23GB0-BR-00	C-23ZD6-BR-00	C-23ED7-BR-00	C-23ND8-BR-00	C-24158-BR-00	C-23HX0-BR-00	C-23H32-BR-00	C-23VG4-BR-00	C-23QQ7-BR-00	C-23WS6-BR-00	C-241D5-BR-00	C-23V04-BR-00	NIST1953_HRE0010_03_005	NIST1954_HRE0010_03_006	C-23YT2-BR-00	C-23R40-BR-00	C-23V95-BR-00	C-23W11-BR-00	C-23DR8-BR-00	C-24398-BR-00	C-23DF4-BR-00	C-242F0-BR-00	C-24430-BR-00	C-23GG9-BR-00	C-23WE7-BR-00	C-241C8-BR-00	C-23M37-BR-00	C-24042-BR-00	C-23BU3-BR-00	C-23NW7-BR-00	C-23UP5-BR-00	C-24380-BR-00	C-23B46-BR-00	C-23A47-BR-00	NIST1953_HRE0010_03_007	NIST1954_HRE0010_03_008	C-23QJ2-BR-00	C-23A21-BR-00	C-23KU4-BR-00	C-23L12-BR-00	C-240R6-BR-00	C-23QU8-BR-00	C-24034-BR-00	C-240U9-BR-00	C-24364-BR-00	C-23CL2-BR-00	C-24083-BR-00	C-23M78-BR-00	C-23S64-BR-00	C-23ZG0-BR-00	C-23VH2-BR-00	C-23V87-BR-00	C-23NA5-BR-00	C-23VB5-BR-00	C-24307-BR-00	C-23K05-BR-00	NIST1953_HRE0010_03_009	NIST1954_HRE0010_03_010	Water_HRE0010_04_001	Water_HRE0010_04_002	NIST1953_HRE0010_04_001	NIST1954_HRE0010_04_002	C-23GK0-BR-00	C-23D93-BR-00	C-240J3-BR-00	C-23SW2-BR-00	C-23UF7-BR-00	C-23J55-BR-00	C-23H24-BR-00	C-23RL7-BR-00	C-23K62-BR-00	C-23XW7-BR-00	C-23BY4-BR-00	C-23X69-BR-00	C-23XY2-BR-00	C-23JE0-BR-00	C-23QN3-BR-00	C-23FL9-BR-00	C-23N85-BR-00	C-23DL1-BR-00	C-23NG2-BR-00	C-240L9-BR-00	NIST1953_HRE0010_04_003	NIST1954_HRE0010_04_004	C-23KN9-BR-00	C-23XQ0-BR-00	C-23UN9-BR-00	C-23NE6-BR-00	C-241G9-BR-00	C-23B53-BR-00	C-23QB0-BR-00	C-23DK3-BR-00	C-23UA8-BR-00	C-23EK2-BR-00	C-23NX4-BR-00	C-23FS3-BR-00	C-23WW8-BR-00	C-23S49-BR-00	C-23MN7-BR-00	C-23UT6-BR-00	C-243M4-BR-00	C-23B04-BR-00	C-23W60-BR-00	C-23KG5-BR-00	NIST1953_HRE0010_04_005	NIST1954_HRE0010_04_006	C-23DH0-BR-00	C-23U70-BR-00	C-23L38-BR-00	C-23AB6-BR-00	C-240P0-BR-00	C-23F42-BR-00	C-23CF5-BR-00	C-23W86-BR-00	C-23LC3-BR-00	C-23MX5-BR-00	C-23W52-BR-00	C-23BD0-BR-00	C-23WP3-BR-00	C-23K96-BR-00	C-23VU3-BR-00	C-23MQ1-BR-00	C-23QR5-BR-00	C-23YK2-BR-00	C-23CH1-BR-00	C-23C60-BR-00	NIST1953_HRE0010_04_007	NIST1954_HRE0010_04_008	C-23W37-BR-00	C-23Z75-BR-00	C-23AS8-BR-00	C-23JB7-BR-00	C-23PB1-BR-00	C-241M6-BR-00	C-23NF4-BR-00	C-23L79-BR-00	C-23GM6-BR-00	C-23WQ1-BR-00	C-23L46-BR-00	C-23NS5-BR-00	C-23R32-BR-00	C-23B95-BR-00	C-23PT1-BR-00	C-23WT4-BR-00	C-23P34-BR-00	C-23A96-BR-00	C-23KB6-BR-00	C-23JT7-BR-00	NIST1953_HRE0010_04_009	NIST1954_HRE0010_04_010	Water_HRE0010_05_001	Water_HRE0010_05_002	NIST1953_HRE0010_05_001	NIST1954_HRE0010_05_002	C-23C37-BR-00	C-23TR2-BR-00	C-23JG6-BR-00	C-23H81-BR-00	C-23UK6-BR-00	C-243K8-BR-00	C-23PP0-BR-00	C-23RP8-BR-00	C-23RJ1-BR-00	C-23N69-BR-00	C-24240-BR-00	C-23XV9-BR-00	C-23CP3-BR-00	C-23T89-BR-00	C-23AL4-BR-00	C-23BH2-BR-00	C-23YL0-BR-00	C-23UX7-BR-00	C-23JD2-BR-00	C-23SL6-BR-00	NIST1953_HRE0010_05_003	NIST1954_HRE0010_05_004	C-23V12-BR-00	C-23ZN4-BR-00	C-23KF7-BR-00	C-23YB2-BR-00	C-23TD2-BR-00	C-23FM7-BR-00	C-241T0-BR-00	C-23LQ2-BR-00	C-23Y92-BR-00	C-23VS7-BR-00	C-23CG3-BR-00	C-23GT0-BR-00	C-23MT4-BR-00	C-23Y19-BR-00	C-23YY1-BR-00	C-243Y7-BR-00	C-24273-BR-00	C-23P75-BR-00	C-23GF1-BR-00	C-23LK5-BR-00	NIST1953_HRE0010_05_005	NIST1954_HRE0010_05_006	C-23GD5-BR-00	C-23V38-BR-00	C-23FT1-BR-00	C-23D85-BR-00	C-23B20-BR-00	C-24117-BR-00	C-23R08-BR-00	C-23J48-BR-00	C-23P42-BR-00	C-23L95-BR-00	C-23QA2-BR-00	C-243U6-BR-00	C-23Z67-BR-00	C-23MP3-BR-00	C-23A88-BR-00	C-24141-BR-00	C-24067-BR-00	C-23C11-BR-00	C-23SP7-BR-00	C-242L7-BR-00	NIST1953_HRE0010_05_007	NIST1954_HRE0010_05_008	C-23MY3-BR-00	C-23RG8-BR-00	C-23X93-BR-00	C-24299-BR-00	C-241H7-BR-00	C-242A1-BR-00	C-23ZL9-BR-00	C-23MM0-BR-00	C-243V4-BR-00	C-23SM4-BR-00	C-23DG2-BR-00	C-23UQ3-BR-00	C-23WC2-BR-00	C-23PQ8-BR-00	C-243B8-BR-00	C-23AA8-BR-00	C-23PY0-BR-00	C-23K13-BR-00	C-242Q6-BR-00	C-23XD8-BR-00	NIST1953_HRE0010_05_009	NIST1954_HRE0010_05_010	Water_HRE0010_06_001	Water_HRE0010_06_002	NIST1953_HRE0010_06_001	NIST1954_HRE0010_06_002	C-23EJ4-BR-00	C-23W78-BR-00	C-23XU1-BR-00	C-23UY5-BR-00	C-23KC4-BR-00	C-23NY2-BR-00	C-23KY5-BR-00	C-23BC3-BR-00	C-23JK7-BR-00	C-23UW0-BR-00	C-23VW9-BR-00	C-23U62-BR-00	C-23HW3-BR-00	C-23RR4-BR-00	C-23BK5-BR-00	C-23AM2-BR-00	C-24422-BR-00	C-23NK3-BR-00	C-23LM1-BR-00	C-23X10-BR-00	NIST1953_HRE0010_06_003	NIST1954_HRE0010_06_004	C-241P9-BR-00	C-23CX5-BR-00	C-23HQ6-BR-00	C-23NJ5-BR-00	C-23G90-BR-00	C-23JA9-BR-00	C-23PL9-BR-00	C-242G8-BR-00	C-23U54-BR-00	C-23Z83-BR-00	C-23AQ3-BR-00	C-23FU9-BR-00	C-23XK3-BR-00	C-23YV8-BR-00	C-23Q09-BR-00	C-23NM9-BR-00	C-23G66-BR-00	C-23MS6-BR-00	C-23LX6-BR-00	C-23BE8-BR-00	NIST1953_HRE0010_06_005	NIST1954_HRE0010_06_006	C-23C94-BR-00	C-23YE5-BR-00	C-23SF9-BR-00	C-23GU8-BR-00	C-23K88-BR-00	C-23AG5-BR-00	C-23S15-BR-00	C-23YW6-BR-00	C-23RY8-BR-00	C-23Y50-BR-00	C-23TP6-BR-00_2	C-23S72-BR-00_2	C-242N2-BR-00_2	C-23ZA3-BR-00_2	C-23EY1-BR-00_2	C-23RF0-BR-00_2	C-23MU2-BR-00_2	NIST1953_HRE0010_06_007	NIST1954_HRE0010_06_008
Factors	Class:Water_blank	Class:Water_blank	Class:QAQC	Class:QAQC	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:QAQC	Class:QAQC	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:QAQC	Class:QAQC	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:QAQC	Class:QAQC	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:QAQC	Class:QAQC	Class:Water_blank	Class:Water_blank	Class:QAQC	Class:QAQC	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:QAQC	Class:QAQC	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:QAQC	Class:QAQC	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:QAQC	Class:QAQC	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:QAQC	Class:QAQC	Class:Water_blank	Class:Water_blank	Class:QAQC	Class:QAQC	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:QAQC	Class:QAQC	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:QAQC	Class:QAQC	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:QAQC	Class:QAQC	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:QAQC	Class:QAQC	Class:Water_blank	Class:Water_blank	Class:QAQC	Class:QAQC	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:QAQC	Class:QAQC	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:QAQC	Class:QAQC	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:QAQC	Class:QAQC	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:QAQC	Class:QAQC	Class:Water_blank	Class:Water_blank	Class:QAQC	Class:QAQC	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:QAQC	Class:QAQC	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:QAQC	Class:QAQC	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:QAQC	Class:QAQC	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:QAQC	Class:QAQC	Class:Water_blank	Class:Water_blank	Class:QAQC	Class:QAQC	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:QAQC	Class:QAQC	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:QAQC	Class:QAQC	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:Study_Sample	Class:QAQC	Class:QAQC
Pyruvate	0	0	41745853.5	94799559.5	98704738.6	94733407.8	93150778.3	94998869.3	93597337.2	104700162.2	123725083.6	110753158.8	108088398.5	109973872.7	91722408.6	102018664.7	104289214.5	114552037.1	84943454.2	95938499.7	102342233.8	105258042.7	106983356.6	92421872.1	55153323.3	42599614.4	123724271.9	100232212.5	87761878.9	107824456.8	91182678	97684450.6	121120834	162366140.1	616645640.7	138052476.7	112220767.5	93005308.1	92010328.9	102300563.1	95652696.4	116265101.6	106448925.5	105138174.6	99053781.1	110980936.8	62065507.3	61805248.8	95980769.4	83755478.6	121713279.7	94817339.2	91620048.5	105963540.6	114404893.4	107587817.5	102669579.1	95588209.3	88352640.3	114105596.2	83644509.3	111146600.4	77185174.5	139499321.6	136574601.4	80547513.7	102448715.2	100835679.3	49968888.6	61838648.3	355630824.8	130676166.9	120044446.2	91270004.7	109878689.5	110108454	77766953	156762032.2	123294673.7	135905426.3	121179631.7	117613918.6	87684629.2	91906720.8	87857439.3	104094085	101707647.2	98792219.2	105687524.6	67507854.8	64366665.6	75341617.7	0	31316545.9	187589013.8	175445156.7	256933489.2	132165896.5	88287797.6	75907301.1	76348410.4	120193387.9	160786858.8	232938583.9	70762941.9	239412602.4	86273300.5	218452966.9	56356587.9	70778695.3	74522496.4	77297667.2	74378847.1	110776293.8	166727415.9	242798691.7	50513256.4	266285324.8	74563812.3	77772440.3	71640489.9	55634109.8	80457384.3	79043653	71534151.3	111406244	168236412.1	224562045.1	50836986.8	280251561	80171039.6	71994968.9	71747182.9	67416114.6	72765697.4	57505418.5	80870302.5	117613495	106799928.9	208050664.4	64004297.5	71795969.9	87522230.5	105960461.9	58811612.1	71450076	71483115.6	76599015.2	86005192.4	100344009	146729083.5	243421744.3	78076986.2	73495459.7	81794457.1	119094895.1	66511249.1	68849139	78713264.1	75940589.2	68474936.2	79747132.8	128560744.7	383246335.7	74762596.3	284021453	87484736.9	217871699.1	59085764.4	69108446.2	77469971.7	78934157.3	73657300.1	110344884.3	162945957.1	210551991.7	78111547	75090660.8	74651817.7	182559670.1	72596477	68264814.5	70560624.9	55089896.8	377004.8	175282616.9	29353830	39166682.5	89432183.6	107648811.9	109833005.2	49329827.2	85043674.7	91243537.1	88114316.8	109907187.2	90109480.6	103553946.8	116317018.1	114094847.8	90485885.4	95917137.5	114764090	116624491.3	79778160.5	104700334.2	79264037.3	94413847.9	43014657.1	44026883.1	97474704.4	123118990.3	126196951.3	113839152.1	92978507.4	105847863.6	119778634.5	110086478.8	106036254.7	88891085.5	93272971.9	129727549.1	120157350.5	79168926.7	82423694.1	106688344.9	120660492.2	125758380.2	126632433.9	101314985	61459108.7	45579492	109616524.1	101415795.7	116169423.1	110322066.6	111303176.3	100960085	144584760.6	613860402.5	119886279.1	127338044.9	130658794.4	63398981.7	113877554.1	90949020.8	117714051.9	124899279.4	134736849.5	114351314.5	141382315.9	126699653.5	45530232.8	56143784	151854973.3	125040641.6	142864523.5	96940156.3	99651634.8	136580098.7	66553864.9	127469321	116084091.8	144687868	119492467.2	122372970.9	142244107.2	123412366.6	102575007.3	126445512.5	151796558.8	105360555.8	91773985.3	92850408.8	49456421	53376714.2	13549651	60304771.7	251101374.3	50614210.1	79083562	75879633	76458589.6	77659671.3	85703789	83438982.1	94436575.9	87452763.3	336841500.6	77939512.5	295591656.3	87401752.1	84403960.8	64630899.6	70242787.1	76865455.3	90655409.5	92850888.1	161661037.3	97691868.9	250906702.6	52495877.9	277376430.4	76988562.5	68581790.9	73675537	80740451.2	74368262.2	93695543.8	71012334.8	156461719.1	89057283.3	270725872.5	71077136.1	77888583.9	87950121	79991377.9	78162536.5	80270641.2	78240663.6	108187303.2	96389679.3	82617653	69211349.6	342934736.5	90508884.1	87676923.1	70874535.6	89408044.9	78531591.5	89945512.1	69861527.6	109722657.4	151494038.6	122678871.2	111177348.9	159368430.5	89397997.8	85765725.4	82559687.3	84177212.7	81389107.1	77451176.8	74816403.1	70546256.9	171529380.5	128444586	156736295.9	350912405.4	92292255.3	71162237.6	68591206.7	75349551.2	80085908.7	82455406	96936384.4	105645029.2	289054133.1	129913840.6	195140477.9	95300999.1	79902831.8	87967429.2	79382775.3	78821997.9	87792998.7	146801037.5	62007305.3	0	0	11420527	5488820.5	64304939.3	45834737.6	79061021.7	113445284	132374703.8	104987198	94256587.1	74695195	66448010.6	121317146.1	93672597.9	97430040.3	48701177.1	111153644.4	134897223	119571550.1	115142881.9	88952544.3	130179960.9	79549351.1	0	24077971.1	132363320.9	75355396.7	9276158.9	119932664.3	104388006.7	79062344.6	148825540.3	97193966.2	67777053.9	100208002.5	96078003.2	102822153.1	117078153.3	79850714.3	125201672.8	135978084.4	94612648.9	157915916.2	130669119.9	81861985.2	18629945.2	22959253.9	121056841.3	121424196.3	159140211.3	120203970.9	173497140.5	138325883.7	137971952	155835181.9	137471488.6	147741267	162004883.2	118181870.2	128427556.1	131355663.7	119308879.8	130086468.5	194454786	128871628.1	86836431.7	110096057.1	33154938.7	58150496.2	175631224.3	178018863.9	96393645.6	170220120	138274470	127008750	118834354.9	149061322.8	158845955.8	130224506	189924643.1	157395743.9	158501702.9	126049124.5	143509348.4	66936179.2	179526607	124059038.7	157019139.8	161071069.3	56403326.9	51461691.3	32799587.9	40142488.5	49001479.1	251208066.6	84929308.4	108065813	109831382.9	61590578.2	120688233.4	58550693.2	54380836.6	116232883.8	269366213.3	75420355.2	74126151.5	291958894.5	89174739.3	95852794.2	79293831.9	68954994.9	113539125.6	68050772.1	76688713.5	107171178.6	233112345.5	54729531.7	69252133.7	282082799.4	97825509.6	87456321.6	91194007	95904279.7	111060026.9	63617178.3	82324805.9	109189916.5	245487032.3	71869815	74859138.5	240056937.5	91651892.5	98686836	97947563.5	85839803.3	109613748.4	65574419.9	58145530.6	86965113.5	176761105.9	66398005.5	77765034.1	234891738.4	75363780.7	94333368.4	87280437.8	90809872.1	99998806.3	68698316.2	76446523.7	94910543.9	294702801.3	68215295.6	62524809.4	292613769.6	127581885.8	70622682.7	76504154.4
FA 4:0 (ButyrateIsobutyrate)	569940	1814233.7	31664665.5	32340255	6735606.2	2628980.9	4967849.2	22736516.4	65601551.3	5274009.9	10243724.5	15089432.3	21108592.4	3161226.6	18700603.7	1970333.4	2832047.2	13563073.2	4677267.2	10385563	29959003.1	4280678.7	2576162.2	25384293.7	32640464.5	22845167.4	40149675.1	35475117.6	33817562.3	18841095.8	2699586.7	2512186.6	21339304	56914265.5	36743260	17550067.5	14438386.2	14701639.4	41230875.3	2928220.3	27342970.1	2431505.2	2339804.6	29348570.7	35637502.5	16872599.3	31526882.6	29002891.5	8655428.4	2858716.3	1635066.3	22345389.7	10575471.7	42832912.4	2171503.5	28852538.2	1419554.6	20988521.1	2701296.2	4942675.2	4987851.4	1747185.8	1896867.4	8250864.6	2422954.2	13696046.6	25544746.9	1754560.2	29874121	28777728.2	18640347.3	24051285.3	28436217.6	2194289.8	4801170.1	19851774.8	66577833.5	18699212	7109497.3	11557347.5	2503505.7	12077116.4	2287682.3	29907776	96383459.4	5345844.3	34819884.8	2294554.7	11102621.6	1323383.4	25146392.7	27683511.2	0	2004477.2	38725008.1	46551476.5	66417220.1	15795204.8	22527912.9	39936559.6	2015785.4	22928563.7	5457836.7	9777469.1	17449149.2	21519775.1	1212626.8	4710580.6	5039521.4	49375879.9	64578527.8	18186244.3	52496383.6	4894071.2	11216049.1	21878625.7	26622273.9	30109679.2	30115063.6	15202639.1	4661449.3	3315217.3	27291779.9	39268660.7	9107529.6	172094.1	12768098.4	17100299.5	71175073.6	13055383.9	2709942.2	10712122.5	570754.4	9633462.8	4097597.1	8820734.7	10298684.8	3771316.8	33717392.5	28148373.2	15081378.7	5828573.6	706156.9	10892295.8	3814811.9	502378	0	8488564.2	2228053.8	0	8706164	19950777.3	13448613.9	1389107.5	5136092.3	13140426.3	15220316.8	11038135.6	15678621.1	60406107.8	26754204.1	23562384	5506125.6	9103984.9	15108431.1	14639669.1	1030737.2	2888348.3	6535333.8	43712272.2	54640249.2	16247972.8	32912656.3	4470846.8	11828692.9	16368070.7	12182040.9	20089271.7	13790316.1	6242291.7	2422774	1124410.9	20217635.8	15974088.1	1798138.8	745073.1	28279171.3	22107936.6	3970610	28862795.9	68686556.2	39354270.4	12192467.5	0	44089026.4	6818955.6	954370.3	3157.6	0	37472318	535278.9	0	11844536.1	21363259.2	1936233.4	1105343.5	1730438.7	29884513.2	35615722.2	25543402.5	31542314	0	3507235.1	2696034.9	24493164.8	31648568.7	4265844.3	3990524	8383156	12182854.7	43018182.1	19975117.3	0	5796555.4	9126255.5	9901182.6	0	38228285.2	7205590.3	12274429.9	27621759.7	31706529.3	0	41133633.1	22090215.7	50292102.4	27705092	9517901.8	0	6477060.1	17907861.3	16704287.8	20492970.8	33248695.3	4196920.3	21182883.1	57418334.6	9795840.8	0	7190057.2	2191734.6	3473732.1	31165878.7	30956191.9	588928.7	17854049	0	31837644.8	40838603.9	3895639	27353162.3	11626154.8	41793321.9	4171124.5	16385327	0	6178540.6	26590484.6	51682352.2	9285914.9	0	26003930.2	1642943	2191774.5	40893900.4	26673702.6	0	0	38227861.6	34456277.7	29153320.6	5353896.6	19755418.6	37064817.5	15977225.3	5260864.6	192880.6	16689721.8	22041102.1	6853184.2	14841336.7	12614054.7	7752986.9	8331023	9719777.9	4182166.9	29155314.8	25106190.8	5234593.4	44970997.5	37294046.7	31874511	0	0	15533080.2	0	18109888	52475293.2	43891122.2	31641920.3	0	0	49666035.6	13546526.7	2460.2	30915659.9	4717361.3	27365588.6	8036771.4	15125876.1	0	10965731.9	27442761.8	30589992.7	12277539.4	29557782.9	15764801	0	0	52918916.4	18085316.2	11526437	241992.5	0	50393607.2	33368020.2	6439583.4	24429209.1	31504029.4	13911488.7	0	32237937.4	0	1750233.3	36135600.7	26902574	0	20853180	8271826.4	0	20107894.8	0	59562843.6	0	33173828.4	9979376	0	8560244.9	5944362.4	32202127.8	16368238.5	4358691.1	187892.9	35963362.5	0	0	25940891.9	29528476.5	6521343.1	5230725.5	31603476	31388698.1	5383953.6	9491415.3	5190149.5	12261180.2	5404161.8	37489419	24980496	5284112.5	56406550	11435326	8525663	5305774.5	9201024.1	10398190.6	22553134.2	6689108.6	5531289.3	6881093.4	5424821.3	82144497.6	29097795.8	30818959.8	4463773.1	7828356.7	6847028.8	16045108.9	13601227.3	4754910.9	22463277.6	6744108.8	9949602.9	4376928.8	41934389.2	8748443	49539456.6	10424441.2	75296214.7	4862305.2	8273253.5	6428277.8	4700195.2	7460153	34885671.6	32787929.3	17484192.1	11477904.6	5712748	4428294.1	4691058.4	7285983.3	16784689.1	5243775.8	12749790.3	19801997.5	8506771.6	8191129.9	8642271.5	6073475.7	30295897	7740840.8	5830525.6	16417660.6	27383757.6	5631974.5	36643154.1	33309611	13391886.9	14663133.3	47985059.1	8889075.6	4680577.5	4555399	69770247.1	7019453.1	5839932.6	8634709.9	9442795.5	21381180	6057614.4	4274308.8	9266200.5	51191848.5	5360618.8	6813264.3	9095808.6	5869939.6	33187709.1	31391519.9	758376.5	0	27940078	31632534.3	231887.5	1823103.3	17420209.5	0	17862409.7	272454.6	64553688.3	3171111.5	26805432.5	26074519	710444.6	21109214.6	662494.2	32918257.4	0	26391953.9	0	32589756.1	9298006.8	14138822.5	44874176.8	33167293.2	19155033.6	10576853.8	0	12821842.3	47710285.9	3942435.3	19490309.7	48220829.9	15245645.3	17354839	18053315.4	2037450.9	0	8305156.4	17119096.1	0	0	4272756	2598835.6	22287039.4	33204120.3	33854042.4	13146067.4	0	15128086.5	8355454.7	20353880.3	23379257.1	65018390.1	15005948.7	26311429.7	0	23906041.1	11754294.4	36498958.5	2213986.5	15727908.6	16041777.1	5795220.8	34304819.8	27528872.1
Lactate	0	0	60753058.6	63233476.1	43025613.1	662632934.6	16986587.1	27205271.9	45250961.6	24408265.8	122406773.3	44450339.6	35070728.1	50336530	137030844.8	21172027.7	71995860.6	39585561.1	21830002	98456713.3	29895178.3	68794208.5	48302891.8	47481315.5	57894050.5	68253557.2	34597225.1	45448409.4	38226086.7	58110665.5	65543594.7	57679941.5	40327294.4	29431597	1558994421	26897338.7	42959391	34088691	71443794	45368331.2	40154310.1	51050556.2	38220771.7	45178829.2	52284238.2	38945228.6	71929686.3	68953707.3	9357141.6	29974846	41469873.4	29800109.1	25399414.1	31568606.4	36505360.5	20388312.7	70663814.2	15028.7	34487551.7	122489030.8	33142446.3	58524380.2	57901935.3	49745039.6	97689005.7	45160346.4	28417882.5	32922615.7	55089820	65656558.1	151139714.6	77094311.2	44224852.6	34460251.2	27582695.9	51403249.6	1925229861	72456694	47416646.7	56874004.5	83024969.5	95908972.2	24930621.5	34788059.8	118302067.5	43836640.5	51917174.4	28111664.8	18148782.5	149390516	62974268.1	68791167	0	0	186401649.8	180227871.7	106392660.2	77468650.3	43472914.3	52573081.7	33976196.7	42865773.2	249045076.9	471638707.5	4319457.7	187283196.6	32018793.5	156983120.7	0	10412772.4	28703980.9	37031862.5	106785451.5	100393075.1	87613501.3	632533259.5	86384624.5	155905302.2	61727452.5	5451237.8	0	293940790	61976085	48516204.1	23579321.7	53480772.1	131176194.7	0	906912807.8	48464128	5358858.1	15574704.9	324040106.9	0	127479304.1	91402912.4	30682256.8	87653070.3	130579341.5	203855132.3	47020399.5	4053374.7	42874870.4	0	0	17563299.2	54732511.2	33694273.3	54240707	63555909.8	0	128781371.4	285644274.1	10687566.9	40744988.4	175290469.6	3549473.7	98793644.8	37894165	59259056.1	90033996.8	116964162.8	322867671.1	197130700	4028884	148945972	14704942.8	136338093.5	0	3857326.5	42555725.7	28463766.1	86517488.5	78173047.2	107009516.7	0	52968725.8	45733894.1	25091514.6	170057703.5	9360454.8	37519240.5	83994995.7	73017805.9	0	0	62561113.2	63285457.7	49375292.7	69239970.4	191798673.4	42490416.7	42052575.6	45289856.1	84589337.2	53459729.5	82250611.3	48476453.9	81737604.9	44687071.3	82275274	73776096.7	44680232.5	62269908	46529031.2	99859634.6	55006883.1	63695818.3	59047578.4	63429178.7	64893228.6	93563767.1	49944923.1	50186152.3	36800633.1	51331630.6	34740326	70595206.8	55370321.7	64628676	111726384.4	92858868.4	90289908.3	221084456.9	74988233.3	48465041.8	60453742.5	77303651.1	74599556.4	56687979.9	66175291.4	65303093.6	40309150.6	197762371.2	46899640	68276654.8	54626403.9	172580316.2	60417438.7	2567192477	46500448.3	38291898.8	115621597	69017648.7	46841378.1	73298565.4	74282549.6	48691543	44681266.3	61957920.2	70810667.4	47581664.5	66266114.3	62985750	54161870.9	78118795.4	92528561.1	29010395.9	65941652.1	46538443.6	38115328.2	42005291.9	57209413	63072093.1	45575770.5	51003808.7	92224213.2	80822761	53864109.5	49213259.5	48071361.9	40371903	35920012.1	48608967.7	67052701.5	69520701.8	0	0	109069576.7	55151439.1	68362089.5	28018842.8	18683637.8	19216086.1	23406205.3	585292204.8	29443807.5	31850935.2	38875258.3	17164453.8	76208956.7	66992044.1	58780818.7	242791350.3	34149126.3	66992266.4	43411253.6	29327297.4	172946076.7	64794724.5	150547306.8	50098981.5	57942588.8	29994980.8	23571903.8	34354865	16155109.4	31501173.7	48535986.8	0	33930258.2	46735215.2	107797353.3	33436609.3	36398133.4	52620507.3	30728324.3	53439907.8	22501869.3	29658098.5	95247956.3	41139405.2	71184482.8	75580451	62344004	64657882.3	11339255.7	32120107.3	30884043	31009599.9	17769140.9	2260714404	45520024.7	333163905.2	59696308.9	66016913.2	73208882	120696051.2	37954386	25812064.3	44494264.5	50672581.1	37073009.1	29753252.2	69028193.7	88001502.2	44395933.2	80291518.4	814028411.4	29884553.3	30638143.6	65069116.8	0	68773818.5	163981149.2	86668435.7	44040331.9	81260110.4	76736206.9	66010578.8	52572973.1	32367444.6	30489866	42657398.5	39270294.9	42586050.1	76322020.1	70135420.5	40676058.1	41414240.4	72508528.4	71422837	75513029.1	69758123.2	55037224	59231512.5	64470192.2	65571752.4	60698649	116469393.3	54201942.3	62232474.2	67514258	56861371	93498186.2	67801130.9	68478005.3	63610031.6	59216751.4	56445433.9	60783839.2	57628802.9	71881446.8	71383544.5	65309001	74668542.4	63482990	73224573.9	56029606.3	91160825.4	113962102.1	82502912.5	2633903888	55148277.7	62609148.9	65550882.5	63987247.7	56264460.1	58118290.9	67692564.6	69370895.5	80292614.2	91691894.3	66786213.8	80600153.4	73861607.2	63158605.9	64635683.8	72391137.4	67298867	59697494.7	65491422.6	66217667	82133783.1	72260903.7	66969180.2	65447404.1	55409395.9	59592934.6	72762640.4	76220774.9	69507612	65491960.6	75389574.8	59419351.3	68662369.1	75088631.9	74511533.6	72533753	71020962.6	60789707.6	63313939.5	119858620.8	61543419.7	61467834.2	72890670.1	63561644.7	68402205.5	75372661.2	76206352.3	67219359.8	67323987.3	68395820.1	61265718.5	74730186.5	122508760	103019840	75478035.4	76173901	77693156.2	0	57777274.8	18558766.1	68802820.5	0	0	6409825.5	537551105.9	55638657.4	0	1300539598	8415616.9	378680831.5	0	0	108289198.7	0	0	1013257624	0	47911252.9	0	56832661	24697751.2	225691836.5	25883351	0	59300640.4	15134999	670635.1	5709491.7	0	97454693.6	12217265.1	856006.2	31844514.7	152012262.2	80280000.8	18427065.1	65874791.8	41424847.8	33069671.8	74223602.1	13313489.5	0	0	26009597.8	52855843.3	932852225.1	35363665.8	8381438.4	4978786.6	225722611.5	8105979.7	18058274.9	0	0	25185042.8	0	3027842.2	423916549.5	0	0	179171035.2	0	33557467.6	40889891.1
FA 5:0 (Valerate Isovalerate others)	209761.6	2575229.1	8763420.9	2769591.5	4690566	2824603.3	2191922.7	3070291.4	2849310.2	2300746.8	0	4173604.7	7760709.4	4081171.4	0	3401567.6	1943654.1	3071905.9	2381637	2593813.1	6558897.6	0	0	3790288.4	678470.5	0	1583743.4	0	0	5007022	1794285	1742414.5	2717808.7	2576276.8	0	5280953.5	3588052.9	3606325.6	895516.1	3173695.2	2667057.8	0	1696191.8	6460097.9	3264312.5	0	5737374.8	6771516.8	0	3361419.8	1830980.2	0	3013655.1	3519322.6	0	0	0	0	3229433.4	2094298.4	2508977.4	2312541.5	1887371	0	4047956.7	1493878.5	2627993.7	1675432.4	3891013.9	5287551.3	4526320.9	2953801.7	5052907.5	0	1546629.1	519577.9	2887787.5	3025475.7	2826618.9	2702723.1	2201599.9	3972876	0	3062170.8	449235	0	2874711.6	0	2959736.9	3320088.6	3590601.4	1013861.9	1562190.7	1997968.1	6056068.8	10525725.7	6995004.5	3532017.4	2848991.4	2828974.4	1888406.8	3656516.8	4930929.8	0	2568767.9	10547048.3	2821540.2	4112673.5	3234900.4	998694.8	3620087.9	3702663.7	4697105.9	2438670.2	4139154.5	0	2790801.1	6368305	2745617.5	2921072	2900561.4	2974478	2680303.5	2310835.2	2649498.8	2158215.8	3531674.1	0	3682110.3	2046354.9	1984325.6	2621964.9	3010433.2	1748549.3	1660196.1	2273847.1	3251093.3	1828397.5	1473442.5	9847848.3	3528789.3	2076718.7	2261453.4	1875241.9	2065493.2	2478240.5	2274282.9	1922531.1	2053696.6	2308618.2	3028723.8	8165896.3	2778015.3	0	2752885.6	3196043.5	0	2344506.7	1782750.2	1279729.3	1740573.7	2204524.8	3015951.9	0	1811467.2	0	0	4372015.2	2357422.9	2364850.1	1476619.8	2258519.9	3259847	0	0	0	406121.6	1902704.1	3209409.4	2467684.7	1550733.3	0	1840741.5	2105308.4	3269244.9	2008724	3988651.6	2729673.5	2378359.1	1025557.2	10981602.8	4335074	1785552.6	1520841.3	2907544.9	2609107.3	1116495.3	2836900.5	4299944.5	4153509	2210782.4	0	2669203.5	3540905.5	1597313.5	2712517.8	2283192.3	2118057.1	2533567.1	3128917.6	2553285.9	4614631.4	1643855.4	2799019.7	2385617	3531926.9	1907775.5	1885307.9	2853556.9	4991221	2897437.1	2132359.1	2882287.6	3485573.2	0	2476733.1	1700607.5	4422365.9	3647583.3	1495457.2	3449725.5	2392315.4	0	1459030.8	2282298.7	1949095.1	4670953.4	2835420.5	1603423	16414020.9	1576235	3375305.6	2527723.9	2352813.8	3213561.8	3304837.8	2660114.8	2309498.2	1241228.8	2964594	3091802.3	2562060.9	3101848.7	3854517	3960713.4	2703735.1	2169740.6	3362656.4	3255608.6	1869546.4	2111141.1	2098989.9	3764457.2	3910498.4	3452821.2	0	0	1971959.6	1386395.6	1740795.4	3084785.2	1602653.5	1242255.6	1867174.1	4250977.8	2391794.4	2039850.6	1814835.2	6816853.2	1603064.7	2584390.8	480176.8	491768.8	2230675.8	2219673	2697072.7	4033503.4	4186018	5098654.2	1010223	5035994.2	1729506.3	1936313.7	2647952.9	2557718.9	5054913.9	5463978.8	3556484.6	3673177.4	2124232.1	6655843.9	1741524.3	7484907.1	3140238.9	3410577.8	2626302.3	2608654.5	3709215.5	1119659.1	8852002.8	1308479.8	0	5925707.9	4299277.8	833497.9	1189317.5	3217969	4043328	2024318.7	1358763.3	5180997.2	2155328	2529549.2	2225257.5	0	4127942	3578495.1	942727.4	3234869.5	1853938.4	3564073.7	7498348.8	1959781.7	3290201.7	1012566.6	8311830.1	0	2723015	1838085.4	0	1241085.9	2768301.5	1375060.2	1899308.8	4601897.3	6147480.6	1113156.2	4770226.3	2313448.2	1934449.5	1214961.2	2885995.1	5166443.5	1360427.4	2013183.5	1896729.6	3437875.9	0	1759165.7	3400853.2	1481902.6	2165291.4	1338610.5	1472294.3	3420799.4	1289891	3926822.4	1526370.8	2858360.8	2492366.7	2807603.8	2300843.6	2285276.3	2725721.1	4056877.4	2130697.5	2377037.9	2107790.1	2625840.4	2985883.4	2730621.9	2839180.1	2907315.3	3057138.1	2486561.5	3236073.8	2937156.1	2656798.3	2176793.7	3248199.7	3419834.3	9354293.7	2767611.6	2615801.1	1957954	2639063.7	2241634.6	2694802.8	2294572.2	2521759.9	2448854.6	3044855.8	4294418.8	2551113	2027033.1	3008310.8	2695162	2117694.5	2699596.6	2931449.7	3314775	2637257.8	3353840.2	2788546.4	2258407.3	3035869.7	2433996.4	2482841.2	2274490.1	0	2659750.8	2366694.6	0	2455481.6	2682003.2	2490452.2	2756846.3	2316446.9	0	1941122.6	2557704.6	2392608.1	0	2535367.3	2582029.6	2476507.7	2582880.5	2797687.1	3262294.8	2553556.5	2752808.6	1969362.6	2601525.9	3132691.4	2075533.8	2953865.4	2828614.7	2029891	2857243.1	3480192.9	2669128.2	3184785.1	2502661.8	19656048.6	3330699.1	2316655.5	2968316.8	0	4743186.1	2473100	1489061.4	1112133.3	1095155.8	6015893.8	813024.3	2114756	4867771.1	3533396.7	2939625.4	2439199.8	3714095.4	3427289.6	4062769	5072091.3	3727920.4	6384502	0	1610560.7	11262272.7	2330195.2	2781806.6	1990229.7	1578521	2715828.7	6149771.4	2148114.4	2580174.3	0	5448688	1761604.7	4606375.3	4534044.6	1257541.5	4052671	6035943.5	3299269.2	0	4679060.6	2214969.7	0	2614049.1	4565785.3	2437265.1	3117690.5	937563.6	1481497.2	3472789.4	2256972.8	3554392.5	1713354.9	2091653.4	0	1583305.3	1450747.8	1789958.8	2610547.2	4413338.5	1777117.3	362565.9	2886929	0	4516469.2	3094757.5	0	3559703.5	1149335.3	3316919.6
OH-butyrate	21529295.2	31956811.7	0	0	26792977.5	24025511.1	0	0	2198433.6	11240519.4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3451259.7	7621875.3	0	0	0	14145433.7	0	0	0	0	22070202	0	0	0	0	0	0	0	0	0	0	0	7370871.9	0	11510463.7	0	0	0	1459033.7	0	61849518.7	0	0	0	0	3800113.5	4698195.1	43157410.6	0	0	0	0	0	0	8481799.3	0	57177400.5	0	0	0	0	18774454.9	53629861.4	0	0	0	3339181.8	0	5249149.6	14327596.6	29551230.5	5144524.9	9158610.9	0	0	0	0	0	3156146.3	0	46306982.4	0	44594554.2	0	43740757.2	0	0	8591885.6	0	3237280.2	3717245.4	0	45738264.6	0	0	0	13408159.1	0	8508546.1	0	4047692.9	0	11012507.2	0	54337500.5	0	0	0	0	0	0	0	0	0	0	0	0	63562430.8	13231317.2	17628387.4	0	0	0	0	0	0	0	0	0	7378346.8	0	0	0	0	0	0	0	0	0	0	49182216.3	1879738.5	42598545.2	0	39643684.5	0	15173481.5	0	0	4775694.9	0	0	44241300.4	0	8207557.4	5463985.2	0	0	38373805.1	0	2232502.2	13317328	20111575.9	0	7158086	0	0	0	0	17754972.9	0	6412686.1	0	0	0	0	71832628.2	0	0	0	0	0	0	0	0	0	0	0	0	8109969.8	0	0	0	17643431.9	0	0	12304846	0	0	0	0	0	0	66035459.9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12603315.3	0	0	7212330.3	0	0	0	60350210.9	5428210.2	0	0	7040602.7	6735448.4	40175761.1	0	0	0	0	0	14927804.5	0	0	0	0	0	0	0	7595498.8	16365903.4	9481058.8	0	0	6424044.2	8350214	0	21310698.4	17088866.6	12977268.6	0	0	0	0	64032670.7	0	0	0	0	16038768.5	0	47635735.8	63982507.7	0	0	0	0	17684285.2	0	7580284.1	0	13500792.5	0	0	0	7006254.2	62656814.2	0	0	0	6346725.9	0	0	15545008.6	0	61235240.5	0	65047355	0	0	12084792	6742205.1	0	0	0	0	0	0	6567487.4	5984784	0	0	6704433.1	6590044.8	6138781.1	0	0	7081512.9	0	0	0	0	0	0	0	0	9923719.1	0	0	0	18445585	0	7914947	0	0	6360927.7	0	0	0	0	10105608	31566229.8	16461601.8	6182097	11510525	7598200	8014576.6	0	8409419.8	21498265.8	15077346.6	0	0	9982658.9	6856237.5	17579549	12656637.6	0	81953091.3	0	8659751.7	13834228.2	23319321.4	5732002.7	76189357.3	0	0	5597341.9	0	7517083.6	0	0	11680663.3	7398958.2	0	55003073.1	9694388.9	23914554.6	0	0	0	0	0	20724872.6	0	0	0	16241417.5	20858185.9	0	4105822.4	6575966.2	0	4163055.2	0	6698414.6	0	0	0	8567172.4	8659835.6	0	51279305.7	0	17730593.3	6243475.1	0	49921688.7	23232231.6	0	26279195.9	0	10558554.8	83719562.8	20829639.9	0	0	8782889.1	8720209.3	16359237.9	15945750.5	15480071.3	0	24435661	7725857.6	0	10146770.8	6705399.9	10285039	0	0	0	22998250.5	0	29096344.3	8033478.2	14795182.2	5628274.2	11873081.8	0	7841257.7	33668250.3	39471456.2	0	20794778	0	0	0	6950931.1	8345238.5	21350123	19619249.9	0	20619898.6	6832235.5	0	24682652.4	0	15601842.7	0	0	0	7641689.9	14446407.1	0	24605314.2	6245046.9	5238844.1	25877950.6	6753704.6	0	4481954.9	12548876.1	0	0	6431166.7	0	92141002.8	11528071.1	0	18247506	34449221.2	24989661.7	0	0	8500979.9	0	9441729.6	10280475.6	29001883.9	0	18022772.4	17104341.7	4616294.3	0	5709174.6	0	0	0	7322509	0	29421807.3	25975231.7	74970705.3	23295084	7564074.6	8668550.3	10541822.2
FA 6:0 (Caproate Isocaproate others)	276643.6	0	290523661.5	130099920.6	90942129.9	13825136	34458494.4	271778762.1	423306576	60420302.6	114946337.6	198097010.3	217495442	23146959.4	209104789.5	9973070.6	30959210.9	158606644.3	38614174.9	141353519.5	357104905.6	44333294.4	23012569.4	246940211.3	282791631.2	114538747.4	452023847.4	488356989.5	487468534.4	215019059.2	18687029.9	19818589.7	249349216.5	517660745.7	153539937.4	170086725.7	210426178.7	190179921.8	471503307.5	25258405.6	239601452.1	17803787.2	15737258.3	283194549	497421852.6	213965888.4	281958295.6	115908221	72084723.7	21982606	8778320.5	238429213.8	118996237.1	453389783.2	0	382689032.5	6293393.8	169427738.1	11540234.2	39084282.2	48601934.3	3331966.1	8390227.3	84081927.8	22535154.3	156613157.4	348781095.6	2099399.4	260726125.1	114118459.2	213835268.3	274621825.2	338454344.9	13851096.3	64112017.7	269466212.6	348753722.6	220763419.1	64511982.9	147749974.7	24884399.4	178533335.3	17299679.1	243284813.6	869193612.1	48768706	420120734.2	16512025.3	151261153.2	4611519.8	276472573.8	96772961.9	0	8565089.9	358263267.3	134016446.5	465946081.5	223974033.3	308068800.7	450742519.5	25491133.6	287594035.8	56727973.5	84499666.1	220960939.1	154054413.6	20716516.6	57160987.8	71131632.9	616102294.9	828812043.6	321753200	390795899.5	46990679.4	156865634.1	37199727.6	291967543.3	119366306.1	338590177.3	183377208.7	71248762.1	65806729.7	354170392.1	291217364.7	88073952.2	6822352.5	152125883.6	132230614.3	370357781.8	172468033.6	29548331.8	171941890.6	7194214.7	122131943.4	8645635	129898792.5	137210282.9	40628592.3	247575963.4	89671510.9	200650798.7	72555049.1	15920615.2	157842570.1	48395659.6	11610605.5	8657856.8	135172849.4	23334601.2	8924129.5	88538722	169144322	179600527.6	18667884.4	26816477.4	208081722.5	204954472.2	159318995.9	170191681.5	674197054.9	204914036.6	103759686.6	52468908.4	52741702.4	148646132	116353247	16602522.4	46735942.6	58628773.4	447162146.7	591766229.1	250362632.8	305037013.6	37455136.1	129957222	28479672.8	186413909.3	250436277.8	212631619	115839879.2	22856012.1	12965945.8	214097816.5	95006029.3	0	0	253459561	116300312.2	73327885.7	272799481.5	562932731	328369896.9	141103962.3	14229978.9	687031502.8	82659328.7	12300468.4	0	1588149.7	326615494.9	33318588.6	0	108360216.9	296314020.9	25765058.6	13872634.8	35026456	343241251.1	251949121.6	104336625.8	292113740	0	44208965.3	5447159.8	285258921.6	326450595.8	32272790.7	71766903.7	133001409.2	212582729.8	423231022	202724790	0	75002630.2	124556708.2	165426903.8	8845743.4	440619857.9	59140747.4	159134182.7	308545231.8	109694908.9	0	303667963.4	295736209.6	559908764.9	306708781.9	133643638.2	0	13826071.2	173359828.6	232439034.5	152226209.8	106474147.5	53511303.2	279912084.3	574164033.7	164105850.9	0	139402008.4	21249320.2	41650070.2	307225969.4	117278418.7	34671779.5	176178857.6	0	367978731.8	353595985	55425032	271115194.2	121505646.5	439485895.4	99969806.4	197155697.3	3785240.3	84153109.2	320365543.6	433990118.5	103964851.4	2254881.7	253831766.1	30744703	24687132.4	330990476.7	96685166.9	0	0	283720172.8	102208496.6	265485966.8	92302237.1	343479788.9	357638267.2	229684632.5	93861909.1	0	226310484.5	140776123.5	82774629.5	208863162.2	167620216.9	91845554.1	120612791.9	155271034.3	113603880.6	342484936.8	198232684	109141555.4	548054275.4	269295077.9	90441835.7	0	0	187326436.1	14967258.9	207957812.3	582109910.7	392510678.2	357803191.2	0	0	532018516.3	165385282.3	26561411.5	275019342.7	41107849.8	256482252.9	122409421.4	224683478.4	11279209.1	108787973.9	250858104.1	99004143.2	198575729.8	419974211.5	159658367	0	0	431795513.8	127494685.9	6397270.3	11860725.9	0	364086816.1	379008360.4	157322815.4	221746009.8	313161050	231133032.2	0	366073130.4	0	41477901.5	279159845.8	95818585.8	0	283829050.2	88431075.4	19969022.5	256393838.6	0	553166231	8958717.4	256088222.3	90332557.9	0	102206818.1	60003173.8	293179709.6	273579068.6	111202777.9	4086165.9	564064166.9	0	12901100.3	290837481.7	82655113.2	41018632	40664446.3	306517912.3	152100374.8	59890255.5	154427185.5	52116515.3	143954712.4	58128938.7	385534433.7	221702814.5	49701057	608022211	162788338.1	95482636.6	53187284.7	39099300.6	117628960.4	282500443.9	72126724.2	53835596.4	74411260.7	58330297	725760374	329605368.8	161399695.7	40074370.4	95341716	86710397.9	262729676.2	188801139.5	42464356.9	332834249.7	80516692.1	43411547.9	46136803.4	443554219.6	77290880.6	534118018.4	124120417.9	725692267.6	57019468.3	46301531.8	71069615.5	45689263.4	117157896.1	315175818.3	161699310.9	176613214.4	166021933.8	50598358.7	44994298.4	44692492	45459836.2	210701348	65582233.3	115525084.8	239486951.4	96534651.4	82279509.8	96662039.7	77058952	357989658.6	68111841.3	56127323.5	212716006.9	227477532	56544532.2	287976491.9	165629037.7	164130787.9	209411542.1	424376622.8	114384246.3	44852611.6	51575534.7	708206680.1	72939014.4	65229489	40335241.5	135814381.7	217852094.4	52790752.5	48079782.8	122355201.3	491831867.7	54510175.2	54431329.4	102134140.2	53881924.3	325027834.1	163217191.1	0	0	299948254.3	113996668.2	17498538.6	35761437.4	328101502.1	16242460.3	238066334.1	0	380881219.9	80675304.1	235823774.6	324449194.3	58308550.3	302996389.1	7004605.4	271242763.6	3576200.8	290292151.3	15137282.2	447704235.3	134867968.6	159976932.6	273554068.5	124581197.9	272646561.4	9586530	10675433.9	198582431.1	457238120.8	0	148914570.4	657612969.6	210900934.1	262031013	123164998.5	0	24882247.9	16620876.7	189137402.8	28297516.6	36912619.4	75435018.3	44500480.6	307949407.1	283465084	122608927.7	0	0	231933220.3	3554320	289549695.9	250190040.7	700669813.3	274049941.7	281377698.6	34062074.1	215487954.9	97924428.8	330111376.7	66925992	183339689	129424170	96970741	257056497.7	109248779.9
Succinic acid	0	0	62451152.7	67491569.4	0	0	0	0	817218.5	0	12389284.4	0	6992795.4	0	0	0	0	26602121.6	0	0	0	0	0	6632931.1	19851426.9	63204779.9	0	0	1411029.4	0	0	0	2959463.2	3009835.1	1959403901	6956095.5	0	0	0	0	0	0	0	4791010.5	3851253.9	0	81960915.9	74847631.9	0	0	0	0	2141246.6	3954958.7	0	0	0	501315851.7	0	0	0	0	0	0	0	119396812.6	0	0	73556832.1	81587875.6	73413386	1974479.1	4842783.1	0	0	6701862.1	4036169301	465997	0	0	0	19361015.1	0	0	16795354.1	0	3413474	0	14257722	0	85106497.4	85123171.9	10697748.4	7745650.9	62803750.6	57372817	5357377.9	6917991.9	11350677.6	11869518.5	3421049.1	7648592.2	4704428.1	10104655.3	16294009.5	7203873.1	4677835.9	5015725.9	6121758.1	11386822.2	12888010.9	8120386.1	15469283	4716165.2	6883864.4	10328690.1	53467250.8	54118709.6	9121118.3	8525126.3	6294679.7	3259269.4	12115136.4	16827444.7	9463252.1	4346934.7	5077990.8	0	4409875850	6855067.6	6045901.3	6117345.1	1698665.2	6701085.5	2857692.7	1332509966	8020058.6	6638156.6	75788346.4	49655160.5	11670154.2	5317113	5425248.8	6444473.7	8709604.3	3993646.9	4034036.7	9187844.2	4494179.6	3987659	11416910.3	11314334.1	52376332.8	6390880	6452622	4600184.6	10813372.9	14160655.1	10614590.3	18464539	67765462.3	69456279.2	7057382.8	7915044.5	17965270.2	9418913.5	5051226.3	5896339.8	7060052.4	14122121.5	16097467.2	11785776.5	17630835	5532636.7	6905575.5	12417672.3	10073387.2	12020894.4	11072518.6	6512405.6	7971050.2	4243783.6	65954221.4	53717601	5283024.3	4170906.8	55118148.2	57898991.2	7455603.1	10570806.1	1303977217	29341192.1	4303498.5	6780700.4	19600278.7	6599562.1	7203399.6	5584937.8	4370273.6	8281042.2	4075559	5154446.3	6946612.6	11326406.1	5425886.3	5446498.4	3471567	15270483	53026963.4	51718444	13034162.3	5982717.8	7869528.7	4843714.5	8586527.1	16648890.4	6046509.3	7411538.4	11815786.9	10024905.8	15732613	10540385.5	5412130.8	4053320.9	9707938.5	6978177.9	5762825.9	14715109.2	9228515	7152348.2	62321057.6	58942119.9	6902378	10397869.8	10251028.4	14433584.2	8749854.9	22504097.5	7199195.7	4453110469	11634112.8	10270243	14200379.9	62854409.6	9503793.9	11929917.6	12548376.4	8374329.2	5887628.5	9790209.7	7463018.2	7344482	57125867.6	59583567.1	7822940.5	15581528.6	8986785	13364544.4	13079172.5	7160297.5	12235196.8	16322594.2	11502427.5	6741298.9	8215106.1	8615702.3	8960187	9111475.5	18804226	14806705.9	7863243.6	8522130	8287970.4	4638563.4	57415591.4	54537264.9	2009951.4	82892.5	110688542.8	96870737.4	7477371.3	3984717.1	21820625.8	18851701.9	14992241.5	5877270.5	3333236.1	11290428.7	488676.9	7441884	4502794.9	11040860.5	9602232.3	2580716.8	10733549.9	9341781.1	20650226.5	11974896.2	5289091.3	19921651.8	114516475.4	96935940.6	6999324	5419869.7	10890603.2	9168490.3	9897614.4	19417500.2	20823353.7	416724908.3	5900321.3	5469092.1	11689117.4	15570183.6	7305332.6	14056395.7	8354754.8	17955225.3	14268439.2	7117178.6	3785733.5	14662436.5	142179155	136257326	4084977	13559320.9	13712225.3	8129189.8	7434876.1	19653126.7	19438114	4248429669	8116613.9	16769714.9	26446685	18884726.3	12862847.5	19768816.3	20774103.8	8753862	11236499.4	25974128.4	2918916.1	11081571.4	133239019.6	118908530.6	7356928.2	13030961.2	192002349.5	5536065.8	13766285.5	0	20036018.8	5267830	21451875.2	8106139	4391832.9	9819296.2	15375641.7	16478075.3	23847581.3	7806749.2	15307031.9	10303224.9	4081976.8	5389997.1	119903310.5	106600095.3	0	0	145138124.2	142216356.5	0	8474854.3	0	10359577.1	4321130.9	23489902.5	21222973.9	0	862256348	6507037.6	0	0	0	10228406.8	8150400.2	0	0	0	0	204941669.2	141759145.7	133844134.1	0	3004970.2	0	107631.6	4784611.5	0	17377390	2834736.4	84995816.7	0	36671952.6	2493876.4	38928932.5	19076204.2	24054034.2	0	1056165.3	1631857.5	0	4361947.9	147744437.6	147171837.3	5513997.7	6562226.1	4556704.4	0	0	0	15152751.1	246184.9	8033603.9	9806170.8	12746315.3	4612512.9	3139346.2	0	12151133	0	0	14661797.6	20785852.8	21230698.6	167078858.4	171237558.8	10572867.2	13136521.6	26537499.2	13762341.9	0	0	42968906.1	0	1636806.6	0	7380391.7	20594286.9	6134069.5	814036	19296427.1	3950563930	0	0	3850714.9	0	169839498.3	162516589.8	7805594.4	8569647.7	49051443	61936971.6	10610185.4	11604310	10687729.8	7486795.2	14247675.2	8581485.3	3932869592	12133837.2	0	15466906.7	10824301.7	24827706	10322301.4	14777022.4	51356110.9	11774628.8	12076587.8	13548869.4	29768898.2	13832494.3	59314709.2	54752520.8	11536081.8	10340529.1	11170461.3	16395197.7	14112420	11895041.5	21035872.3	12690406.8	12087295.2	11972461.1	14057885.5	9586986.9	10986004.4	13593691.5	13580053.8	10389050.5	12340788.1	10518895.6	11555575.3	14664407.3	65944320.4	78918921.3	16490241.3	9740041	10767929.6	14256952.4	14221773.9	11042593.4	16003787.9	10107355.3	14010203.9	9744308.7	13145916	14177969.4	13293798.3	11588089.2	10609764.5	10407718.4	16800476.9	59664974.2	63900976.2
Benzoate	0	42921020	35348742.3	40830518.4	21142366.5	0	120864521.4	55244120.3	58727161.4	117640867.1	120420853	57251375.9	0	152572450	109812614.1	194994502.9	0	113484653	126533046.9	0	0	0	139647554.8	0	0	0	33985007.5	35706127.6	0	22225123	151143729.5	197083798.8	0	0	0	0	0	85274077	68396215.5	0	0	81727135.6	0	49599319.8	0	79280973.2	0	22429597.9	68563827.6	0	122626004	43596962.9	88257326.7	0	138674031.1	0	232609126.5	0	221717292	152718267.5	215268820.3	236988888.6	269090201.7	0	273417928.7	60462443.2	0	89608947.7	2358843.8	0	0	56919301	0	154995443.6	0	0	51536953.8	118805915.2	58702727.9	0	161501171.7	85266690	218231320.7	0	10335071.9	0	27373682.6	0	149429287.9	190379910.6	0	0	55202074.4	37317642.5	0	80165870.7	73012096.5	43460167.9	54872384.6	53502494	0	61463205.6	0	88538726.3	0	62479362.6	0	0	0	0	52515920.3	66837359.8	0	0	60806429.9	47947007	51785144	75912089.4	68330448.4	0	0	47106600.1	0	51241827.6	24872696.3	61412321	65516476.5	43004269.9	36308295.2	0	0	0	440354515.1	89135882	0	0	72283615.3	0	43094900	0	0	0	0	26311937.8	66298276.9	0	61527317.4	0	0	0	47288366.2	0	80268689	0	0	68945656.9	0	0	66010871.6	0	50197416.7	0	0	41686783.9	50163893.7	0	445091973.7	65150732.5	463849317.9	0	0	62128106	9537453.2	0	0	61293141.6	71506393.5	63164493.3	17403687.7	0	398919557.3	336708937.8	0	29633080.2	0	313091966.6	79086778.7	0	168420536.2	91040546.6	0	0	111351201.6	104465201.9	0	0	14698194	0	0	76191342.9	138191696.6	0	137590337.6	0	0	0	47233127.8	0	87990929.7	61202897.4	73390381.9	0	115789871.9	116859824.8	24186509.1	68184345.7	22923617.9	56957904.7	0	0	0	103667405	0	0	167741241.4	95942683.8	0	0	0	0	33395480.1	66491509.4	75071700.3	68120377.7	0	0	72300572.3	0	0	0	72527867.7	136337344.5	159160172.4	0	0	97218493.3	0	0	0	0	0	0	88710076.7	0	0	150608580.7	117913867	0	261210744.2	0	0	0	148197066.6	0	244163444.8	106247444	0	177793147.3	0	105616471.5	224134028.8	0	0	0	105477545	153699606.6	14852599	79319570.7	0	0	173975123.2	0	85809225.8	151044616	109805580.8	0	0	0	164141844.2	0	0	233443499	0	0	0	0	87088644.6	101081539.6	0	0	0	134112668.7	1725582.8	0	0	0	0	0	70463475.2	129216439.3	88923832	0	0	0	94063891.5	121900485.1	0	117187796.4	169252537.9	0	0	191862350.4	114102402.2	65315650.5	0	87161883.2	126147508.4	61869601.7	0	135938099.3	190889313	90406116.1	0	30856155.9	86761693.3	140781333.5	7192134.2	0	0	150875535.5	0	69729860.6	0	0	0	0	0	0	0	14012450.7	222815492.7	68958168.1	201390220.3	0	171750027.4	136587582.9	98775048.1	0	72104402.1	0	78035579	127870036.1	0	125810450.5	0	0	283325667.1	198288388.4	0	70800630	0	77535789.6	0	0	0	210208867.9	40262637	27675023.3	175468422.4	42538011.8	0	0	0	0	0	0	233645775.7	24641358.3	0	26000549.8	189239379.8	0	0	0	111218129.7	0	0	0	0	58919053.7	0	0	114582626.2	8603099	140009340.5	4809449.2	0	116436363.2	146716916.7	0	64594014.2	0	0	0	140222432.1	171440546.7	0	260980571	0	152323614.7	4756794.7	0	0	1974993.9	278650192.7	0	23707629.2	0	40152780.2	0	91064253.5	0	16738810.9	0	0	0	138388821.6	37509449.5	0	0	0	25066270.6	0	124739494.4	0	6227793.1	0	0	0	246082335.1	0	0	0	0	11103446	0	0	37438545.6	116373335	178358843.2	0	0	87841237.3	0	40872673.6	0	0	41592054.1	0	50721437.3	70052889.8	44791081.3	61394441.5	0	0	0	0	0	0	0	80714325.4	35695284.7	0	0	61805952.3	0	44479970.3	493753911.1	54980287.3	0	0	55627782.9	91742945.4	78562653.8	62119651.5	0	65701763.4	0	51105972.7	0	0	40441015.6	48629289.8	48927753.1	42331527	0	0	71562990.2	47983868.1	49522399.9	0	63164649	0	0	0	432108307.9	90230872.5	423399441.6	35297647.8	0	46716630.5	0	0	0	0	50944004.1	88810128.2
2-Methylmaleate	0	0	48545697	44015387.6	107318585.2	0	0	125637637.6	113933385.4	137899518.2	134873271.6	158691700.1	192086740.1	157108287.2	128491612.7	103483116.4	94224600	126715470.5	144810501.4	100939728.8	137594288	104075034.3	82644173	93830826.2	50359607.6	46146956.6	131839077.3	147148051.7	126132077.7	154185167.2	101675417	56584003.4	194721632.8	162784174.3	179192151.6	174407573.7	69466352.8	93560982.5	136818955.3	82224874.5	138172209.4	86594428	85376537.8	113504468.2	158887358.6	169593855	51567724.8	51233475.9	125731721.7	39047336.2	142221690.3	157818398.8	67005793.1	110617096.6	73840119.3	154863939.4	47137717.5	122116364.3	59115919.3	39275251.4	100984679.9	74635301.2	58889000.8	98090451.9	106409675	220467648.4	164336984.1	99195840	37857390.5	53995929.8	159811619.4	155986291.3	161090158.2	66872720.2	79519598.3	195116130.3	131123957.5	112849160.3	125348732.7	135061526.2	92962649.4	92480073.9	96489868.8	103924668	99065361	76399929.1	137480465.2	98332319.8	171709691	83278607.1	58846869.6	58953369.1	12103535.4	12288307	143480709.6	180935176.4	202243382	59767510.7	146541153	122018988.7	75025034.9	128950811.2	95554331.2	142713660	131474037.4	151484724.9	93380586.8	133171913.1	61593239.2	98462511.4	109205515.2	75907284.3	118706514.5	100049091.8	180482838.8	141600642.9	58274661.1	185682992.4	140661224.9	112272862.8	75141196.3	37214758.1	145113260.4	131668202.1	51901153	75653515.5	141253425	153513399.9	41558344	193349803.7	91950064.9	118402147.7	30531001.2	95288260.6	64316044.5	60791298.4	112504656.7	117396253.3	112442131.9	192972914.2	85080740	42102931.3	88914765.3	121682528.4	99232041.9	62995348.8	42110021.5	118917897.4	88115653.4	95203167.2	300935238.7	174921884.6	107340983	81758531.9	107790095.2	123684940.1	91280381.8	117057667.1	92911150.7	130242808.1	77408859	89003001.9	97154630.6	157277651.6	132289842.4	167046913.5	91984403.9	177888699.4	60905055.5	102381616.6	134448071.5	70095659.9	118833079.3	102965275	183960210.7	142551654.2	115567559.5	111412876.4	113546455.7	145639596.2	85925953.2	44463432	77275085.2	65635330.1	0	0	52200328.8	65633256.3	149404049.3	81152802.4	54073486.5	274409902.6	87875660.7	67651213.7	138420710.2	81263068.3	50768388.6	55103791.4	41618074.1	126083297.6	107406367	45001766.5	61741255.6	146841379.8	64663155	39856913.3	75739015.8	136676641.4	63221560.9	60101714.4	164952899.9	35889854.2	118290965.5	70528281.4	120273217.1	201645037.4	143326131.7	101710986.4	118890399.4	136466882.8	90819499.3	94813215.2	67944648.9	61443537.6	69690468.9	133899376.9	67736568.6	177861160.2	141729499.5	100946894.2	61303643.1	69920003.7	94986838.7	103357481.1	138444923.1	182277039.6	142769940.3	79339227.2	105453060.8	88521971.8	187151158.4	162604331.2	170535670.7	77654445.2	132594551.6	146639958.6	178430543	158795611.4	113195703.3	137256123.6	124127161.4	98333028.2	63676917.6	71832295.3	78588813.8	147084897.2	52343189.6	215509648.8	135411884.3	132665474.3	76480262.8	124375877	156612982.3	117261594.9	134425044.6	83640672.8	134426558.2	82538973.9	158462758.8	89256827	115597771.9	139095658.9	98276958.9	79368633	57920197.8	62419740.4	12048442.2	0	179552826	57500904.6	130714939.7	81090186.6	136962375.9	86736998.6	138536375.8	113514159.4	81051025.4	87989113.7	328331363.5	92962911.5	216892952	97036086.1	104462099.2	62215780.3	83519349.4	90554093.5	148116353.1	122190065.6	96661767.6	128966179.5	204228545.5	60902582.6	164601143.4	50575212.1	88162682.2	31531668	126903557.5	128462485.2	118148727.2	90238199	73119012	62010254.2	158196654.5	130494316.4	74603572.2	111612796.7	101692869	107466059.9	77560088.9	127779913.3	116096739.6	101605281.8	79558470.6	77017182.5	189282678.3	151752000.1	111372139.3	72661149.5	86754850.8	112630800.9	133013089.4	130381180.5	102375056.2	85653965.9	150302920.3	114167733.1	133587532	122900393	114637287.9	113240833.7	53965944.1	145080390.1	57418330.1	150705581.6	75825958	125864277.4	108869253.5	112271435.9	234302921.4	111810283.7	56966202.6	69332893.6	168029574.3	47216547.4	99224218.3	95229443.8	82042565.9	219148807.9	83395698.7	133842606.4	137088742.3	83465012.4	63120582.5	97028791.5	61673563.2	92990457.2	115447450.2	74285936	0	0	69903629.1	70927309.8	66880390.7	80167456.5	92716307.9	143051870.6	89638876.5	154818464.2	154416472.5	21402103.2	166863735.8	153643039.6	88993705.2	54139764.7	20927845	101926801.2	86499311.7	57036045.6	73816827	123543350.3	129657070.1	175659635.7	73581162.5	74564232.4	105481160.9	132764874.9	96444361.9	125103880.6	124757037.9	25549321.3	226544848.5	71689095.5	115685763.6	93474827	187717249.8	106454971.1	157099583.8	123378552.2	244129665.3	99665376	51693194.2	99963856.8	64925035.6	59753418.2	78742393.1	82304524.4	83248051.7	126289574.1	98434127.8	41366318.7	96338142.5	57422363.7	188289230.2	96681933.9	117563773.9	143738183.5	80806933.8	105375688.9	111007874	72652388.6	151896004.9	136344668.3	89560924.2	83080181.7	112870515.2	93366594.5	83382425.6	89431535.3	131579213	157455410.5	136463669	182510210.9	119984085.1	80008004.1	171956990.8	122849224.6	152022134	64415819.4	171384699.1	137056388.9	47676405.9	75563093.7	140805702.1	204657441.1	114051798.3	50902510.6	140761913.7	68514369.8	89758588.9	102124865	0	12226070.9	59609055.5	193298087.8	94465682.4	43374211.5	87147570.8	73568046.1	143649889.4	48381220.3	91153543.4	95825348.2	188604751.4	101443985.8	123135471	183737587.2	76262924.2	115191521.4	84605921.9	112952806.6	95727340	124291949.3	99091355.5	86808257.4	221435794	68452450.8	49114829.6	175094281.8	92026501.9	95531550.4	130574436.4	82113828.7	111903526.3	112887266.7	110344286.2	157805922.5	206268898.8	46330112.9	80230111.1	148575249.2	89240435.9	133815613.6	114007925.6	55701298.7	133319592.5	115771734.2	73680686.9	108883408.3	86205665.2	61488206.6	55138971.8	248821762.3	115811014.5	93746575	105736308.9	102389629.4	71539062.1	60804993.2	118146805.1	81318490.1	193164164.8	108263800.6	97458805.9	206861552.1	134464366.8	83579648	97562261
KetoleucineKetoisoleucine	73218952	74840718.8	95832885.7	0	28456761	56087022.9	2957117.7	18114558.9	13148762.9	0	21860175.4	12255830.6	0	12629043.3	12854420.9	0	13864524.2	23594410	16463180.3	43756606.8	11483742.7	0	20847574.4	0	0	0	27466480.2	0	1742998.9	18087873.5	0	0	8326846	42404591.6	77068276.6	80033604.1	1799659.9	23237742.5	18258918.8	0	28764205.4	58828.6	25902907.6	17067974.3	19239082.1	0	0	0	12561680.1	7084830.2	10426277.3	10068713.4	28596141.7	24397594	0	14162991.1	25783768.3	155503797.1	5846293	10138152	4198217.6	30601648	12135431.1	17851501.5	34202401.1	100255359.1	0	10307297.2	0	55328092.6	12377461	16876684.3	11142529.1	9175112	1866721	17987328.9	0	26981608.3	11206835.9	0	53361357.6	58181160.1	35635476.3	42324304.7	37911916.2	9960198.2	20999300.7	0	42709655.1	72207793.1	0	0	0	0	0	0	23732216.5	48608535.2	11208015.7	2805959	0	22521772.7	126227643.4	5383700.2	65374194.2	0	25464276	25307151.4	13282246.6	0	0	6641307.8	36885343.5	47027798.2	37504222.3	12159969.2	0	0	11197747.2	0	11841731.5	46652964.9	13888256.5	18307873	3228673.9	3139473.4	29402811.3	10433122.4	18248565.4	20777583.5	0	4124645.1	107279725.2	3165532.1	23544835.5	168623998.8	123010.8	8817391.6	0	0	0	22050030.5	38821734.1	0	0	8719075.6	21830710.2	7914379.9	453877.4	0	74237955.2	37205097.7	61028589.2	5885969.8	8473858.3	13369873.5	19986738.4	7168430.9	9960897.7	15284051.4	0	44491218.8	74110480.9	24818421.1	58059354.6	5795704.5	32444355.6	20156128.2	21898441.9	0	2647555.6	10749009.3	45263908.7	45036252.4	37090844.1	18699228.6	0	8770137.6	36408143.8	23527650.1	10678287.5	6563457.4	0	0	0	0	0	0	2551544	12426014	206086882.8	90482410.5	929770.4	16675630.3	7041097	0	3020620.2	10526629.7	28948008.9	18474145.9	21822961.5	16525538.6	9053411.5	21906360.6	8425794.5	18698231	22818823.3	10494307.9	0	27759321.4	12298759.8	114892693	16630808.6	19180265.1	9083111.7	5044175.9	5406324	19817879.1	5363474	14211342.6	7024765.7	21345868.6	14299738.7	11193711.9	9031553.4	5143161.7	11372331.1	24978185.5	9367407.6	6974281.2	0	16229327.1	8632432.9	68233484.7	11463761.2	24954428.8	16476617.7	31258120	18171574.2	270851181.9	14001075.9	8111789.8	23634566.8	0	16950182.6	13446896.8	28666248.8	12256260.6	14891656.2	42461147.4	12797385.9	8500700	0	0	1503176	13675171.4	46358379.1	27935886	13892671.6	7441183.9	29632287.2	10204440.8	11448489.5	14123343.1	18723148.9	7775340	6914711.9	14540820.9	8870992.3	9716271.3	11950891.2	4658040.6	7107527.6	13184149.7	0	0	34966880.9	28591269.6	0	16893008.2	0	0	9100290.1	7662962.7	13141123.3	53675751.1	3227410.3	5146149.3	125563554.2	0	13722688.1	40085649.7	4160704.9	14605979.8	15723939.4	28669284.4	5540197.3	13970236.5	63702373.2	4173161.5	0	44452068.8	35111274.7	9162214.6	2893935.7	20414575.2	0	0	0	243510417.4	13877899.5	1413412.8	27028896.3	39215050.3	3365085	0	6209817	20082784.9	633064.9	2559674.5	68469473.3	18845242.6	0	53678441.9	15766799.4	32920817.9	0	27140601.6	10232055	12527908.3	0	13518210.6	14693744.5	28578960.4	38928760.8	749208.8	25394032.6	28740149.5	9207797.1	23041740.6	12581304.8	13012670.3	12717048.1	13707325.4	0	0	14758579.7	1339374.1	58123821.2	0	172483.8	27575795.9	124712565.6	29318044.2	5039453.8	25764473.3	33839543.2	15256854.6	41119968	24011790.5	30491744.2	1507187	8086011	21838541.6	21774808.1	2285268.1	11770034.3	0	5324336.7	14163622.6	0	0	24541261.3	13343420.6	11407263.7	9758439.7	16815002.8	14622657.8	11490058.2	26552780.9	164382165.1	10589495.7	20094034.3	10742153.2	32482338	13833555	15546664.4	11665859.5	17508875.3	11453661.6	14382151.1	206773131.3	20554440.7	5334592.8	9214134.6	16544933.3	8001009.1	21886652.8	13503304.3	18932329.4	18161521.9	14371210.7	140315084.8	8340836	11039308	32470123.6	34246759.8	8448602.6	14468202.1	11458979.5	14576161.3	9984430	18611681.2	16243477.9	0	0	13968919.7	18561526.2	18200111	11867053	10410360.3	11359053	11394462.4	10519588.4	18495568.1	16652281.9	10022097.9	8298956.5	9878957.1	10308051.8	11029407.2	14116808.6	14461756.2	14090643.8	10519934.7	10563286	0	5700108.2	10782491.2	13277511.8	22211982.5	12313763.8	12119173.6	10737458.2	14861370.7	15235756.3	17826980.8	19663341.8	8928496.3	18509592.2	12043250.7	13667544.3	10889603.6	275200779.4	18126331.4	30022399	14414578.7	16963123.4	5473694.8	0	5926833.3	5910448.8	19150501.8	0	13633453	12530608.1	22648273.4	16966677.8	18564147.9	14985729.4	18138718.8	15528071.8	18225030.4	11946734.5	16421750.7	18863996.3	12553392.3	15870847	312602272.2	10625685.2	13023024.2	10772719.3	23502504.7	14946568	0	0	12076128	24484400.7	15539728.4	15927497.1	11337526.7	21237357	19916936	13268263.6	13183262.2	13342499.1	14130304.1	52003187.9	14280997.4	12932844	13272985.4	13951459.7	19467737.9	12049702.9	15029408.9	11099562.5	15236335.1	0	135214803.3	17063471.9	14302448	9236487.8	16829062.2	13060480.4	15423278.2	17032117.5	16225290.9	21123501.5	16910794.9	15310155.4	24288765.1	9871462.8	12583773.6	18983307.3	15911126.6	0	17371512.3
FA 7:0	0	0	5313166.9	2045895.3	2611141	5530228.7	1573265.5	5058572.6	6796667.8	1878731.7	1991681.3	5414749	4746193.7	6187534.3	4556931.5	5882129.5	6646153.7	4787479.2	6084440.5	2748846.2	8272166.7	6765973.8	6333248.8	4866279.1	5666804.5	7584843.5	6682729.8	12211917.8	9267879.3	4131764.7	6092756.5	5896375.2	8261261.1	8622797.8	2110170.9	4010405.6	2906065.9	11080202.1	23060087.1	6243964.3	7177614.6	6064498.4	4730877.4	5791603.3	6859928.9	4310393.3	4885915.1	7728610.6	7436012.8	4550839.5	5998530.7	4283412.9	3102230	7604514.9	4512553.2	7097722.7	4519561.4	2484715	4951498.5	6462064.6	6862352.8	0	5749328.1	7421328.7	5146450.4	2645082.2	9083807.7	4887289.7	4503351.7	7257665.6	4217580.9	3600151.4	9080779.7	5119224.7	2405579.6	5079399.4	4302031.8	12081851.6	2129425.3	4925902.8	6631932.7	2344057.3	6555396.3	5009476.9	11193221.8	2057522	7089946	5705402.2	3997429.6	5170673.4	5222573.8	6324445.6	5892101.5	0	4446305.7	7743034.1	9292226.9	4350829.8	9081613	9631522.6	5316315.1	3617072.8	5477246	4211314.8	4340342.7	4956863.7	5173298	3580592.4	3098718.4	15337709.1	17104281.3	12318349	7671783.2	6013959.5	5151832.9	4940602.7	5513868.5	6751431.6	5885404.2	5167733.5	4393696.2	2238373.9	6947224	5833918.3	3242037.9	3870236.1	4277689.5	7122349	8300269.3	4129457.5	2539815.1	7234937.3	4753139.3	5677818	0	3508330.8	4386317.8	6088509.4	6717749.4	4868266.4	8215906.1	4167750	4469823.2	4904374.4	2630720.8	2592340.8	3099431.4	4003361.7	2588018.3	4650892.4	4846028.3	4670476.2	4201577.1	5660626.3	2866661.4	4675072.8	9669533.7	5444498.9	5429556.3	8762204.3	4632394.9	5606750.2	3597158.5	2334508.1	6004010.5	6408789.5	1801029.9	3266954.9	4997780.5	13986193.6	14855984.5	8898866.5	8094046.2	4666922.2	3930174.9	5169219.5	7187832.3	7371504.8	5715206.3	3672582.6	3003409.2	3387089.2	5820880.7	3047444.7	2469805.7	756868.1	7901436.6	3463780.8	2363473.8	7852592.5	15244547.9	7447384.9	3044728.4	4255707.7	15641046.3	2793193	1966376.5	1864817.5	4851416.2	7524162	3543936.6	4545697.8	3722188.8	6101415.1	4257692.3	3705611.1	4218062.5	11119834.7	8954386.2	5160974.3	5833293.5	4567564.8	3763384.9	4185689.5	6394028.4	11560967.6	4138124.4	2717252.4	6314916.8	8995054.5	10593400.4	4018159.5	3245423.7	2780233	3295955	9178745.3	5894982.3	12510739.3	3731955.1	4219055.5	4438749.9	6637200.2	3823467.6	5346863.1	3344669.6	10128295.1	6055581.3	4957220.3	6549700.9	3071661.3	4606198.7	8078314.5	4831612	6910658	4023057.6	6163796.7	12793849.5	4724834.8	4086888.9	4761966.5	4778907	2669552.2	5960223.4	6665245.6	3176466.7	4518905.7	3320170.7	8828860.4	7630570.7	3299713.5	5757399.8	8287225.5	6184615.3	4065845.6	5151956.4	4189056.8	4063316.2	5668718.3	6697688.3	5267020.3	5032756.9	6870597.2	5811517.5	6162486.5	4417752.1	4993586.6	3383098	362647.2	6115305	2800607.7	5371979.8	5446595.8	13494542.4	10485408.3	6855094.3	5062645.2	2829753.7	8182998.7	5420884.7	4621799	6439709.5	5658444	3191096.8	4819594.5	4492380.2	6306541.3	9415592.3	7260131.8	5223639.3	8184923.2	5239475.5	2907714.1	2090251.6	3956875.5	6095722	2270214	7185791.4	11769133	11408452.5	5941514.8	2409678.6	3427977.9	14317841.8	6832416.9	5626910.2	6714712.1	2672719.9	5777566	4859437.3	6247282.5	4765564.4	4673414.1	6787140.9	3417807.9	6681941	10073103.8	5337769.5	2997578.7	2892251.9	8094230.2	5987700.6	5485003.3	4635715.9	3679745.2	9885316.6	4510064.5	7024436.2	4898194.2	8042052.2	5716671.3	2959782.1	7743202.2	3329768.1	4293356.5	6465343	5091078.1	4715954.1	6739860.2	4164184.9	3046677.8	9053709.5	3802357.7	9739933.4	2205349.9	8988180.2	3844250.6	3203622.3	3150933	3124692.6	6669821.8	5694331.7	5725884.9	4003325.4	15673723.5	1429315.7	2923151.6	6869065.5	2308774.2	1271215.4	0	6993779.8	4061481.2	5532772.7	4558918.9	5727958.3	5433689.7	4575163.3	7535669.7	6931888.9	3993042.9	10572872	6171330.3	5933991.2	5792280.6	0	5778663.6	5662913.6	6391683.4	4169065.8	3386974	4951950.5	21417653	8186532.3	5026213.8	2321917	6530632.9	6151451.6	5213776.5	4836181.2	3284072.6	10443705	3695429	3543215.6	4586002.1	11393050.5	3884070.4	5482652.8	4729291.2	16471960	6643787.8	3514048.8	2642965.9	2849354.1	5102901.1	7481863	5041304.5	6449658.5	4573657.5	3486011	5895570.6	4450834.6	2110552.4	5119557.4	3702816.4	5195696.8	6814798.9	3769767.2	4672398.1	3686988.4	3452260.6	8810147.9	4588258	3750442.9	5318766.9	6470340.8	5313798	7242720.7	5473571.2	4983311.2	6654414.7	8429195.5	4388806.7	3405006.6	4567315.6	11365420.5	3702504	4926404.2	3194533.5	4071605.2	6596748.9	2469352	5103746.5	4554565.4	10787902	4503464.1	4409695.6	3862921.4	3002346.6	7296421.5	6959898.8	0	1512100.6	3365765.8	4804690.6	5148992.4	4948396.3	10308167.7	2278802.9	8439293.6	3994093.7	9100733.5	5133031.1	5715387	7638981.2	4436543.3	7508576.7	5232789.4	6906153.2	3520337	7179169.7	1428147.9	11726735	6562918	7449224.9	4973142.8	4421010.3	6601648.2	1954805.7	4326085.1	7060727.3	8936697.4	4167173.4	4470080.7	9467140.3	6761372.3	5784937.6	4655013.8	4282426.1	4576589.6	2035691.5	8349775.4	1386283.6	5803576	2526337.5	2530523.8	6980945.2	6599498	3363918.2	4120166.2	0	5167178.1	4596771.4	9262053.9	6922784.1	15922048.7	8486592.1	11395186.3	1316107.7	5670304.5	2103548.7	3866387.8	3942594.7	7315212.4	3937074.9	4983057.4	6883452.8	4780186.8
Glutaric acid	0	0	23819044.8	21062150.6	26509471.8	4429929.4	8702685.4	32095533.3	28629728.1	25426548.2	27426977.5	34067866.9	33639310.3	25947781.5	19135801.4	24047576.5	4931635.8	23394666.1	20317407.7	18189148.4	27519263	31898948	22556313.8	34763709.8	38542897.4	28982761.8	33320795.2	36285996.7	40782957.5	34661510.6	35906023.4	29798806.7	7114520.4	40959529.1	50505325.1	32213875.7	10735645.7	24559754.3	23440624.9	24212073.3	9293420.5	25286725	27292266	35277153.2	30529706	32637539.4	15878004.2	20490880.8	12195844.6	23295388.4	33391497.4	24065769	32843608.7	31344416.5	23999270.3	16675849.5	28290188.6	30865695.3	27179123.9	15551220.7	10675355.6	14057928.4	20416833.2	17883729.2	2285729.6	23492765.5	23665921.9	15868225.6	20212772.6	32344319.7	24611937.9	28759305.8	30770302	14818394.2	9158943	26217113.6	5779736.4	24774776.6	21442338.1	10883120.2	21472417.9	29117380.2	14289045	24392953.1	15214798.2	5668385.1	17981354.7	22796548.8	7575784.9	16895622.5	11382728.3	26904562.4	9537954.9	8424107.7	0	0	0	26076542.5	18312372.6	23620309.9	19122503.4	57561648.1	0	0	14487524.3	0	29841461.5	23216778	15682197.9	17537361.9	17865844.4	20060343.4	18486496.5	24675806.8	26608643.2	0	19103678.1	88088222.5	13058819.7	17669950.3	19603335.7	17267887.6	19962054.1	16966458.7	19755092.6	21759649	34470314.6	0	22044325.9	28834857.8	15642924.3	17832604.3	12785862.5	16803052.4	18896096.5	26468739.1	16004499.9	21234950.7	27765385.1	0	18591495.6	17821291.4	15965808.3	17721451.2	18079422.2	15828842.4	15829687.3	17680910.2	16504795.7	20332345.8	29985608.4	68475362.7	18345823.5	16350485.1	18347180.2	18910462.5	18039937.8	17078498.1	18791725.8	20563902.3	22659899.5	26806907.6	30369002	0	18914955	0	15311736.7	25227588.6	14145040.3	19004585.2	18639504.3	21532388.1	17373070.1	20908070.3	32023533.1	0	18917334.3	18886985.2	17463072.4	25581189.6	15614337	15445758.7	22143661.1	22241366.7	0	0	22070005.5	26241330.3	10421216	20166239.1	49834020.4	24764522.8	16146321	14694732	20167686.3	14648970.6	9698233.3	15104174.9	13936336.6	22717994.7	11489060.2	12181043.7	21441412.5	30973562.5	10857881.4	16389404.8	5903083.5	15842837.7	19928949.8	26622930.4	18969725.5	17077683.3	18047317	18799915	26031161.6	20200347.8	15602463.7	20650587.2	22807827.6	19873449	26664912.3	29705551	24494514.3	12143196.8	29630472	23568298.7	25199925.7	28717053.1	24067883.3	27078506.9	29736977.5	30689243.9	20648858.8	7534840	30170508.5	30424564	20888174.2	25009569.4	21373931.1	39135358.2	20327410	22379606	18931274.9	34522882.8	24034623.6	18327903.1	18936071.6	24731208	22531701.8	28971541.5	21959886	27437107.8	26278143.4	29144075.6	26900456.6	23096559.7	22124977	23214362.1	24103144.3	25192827.2	21075975	27721999.8	26087073.1	23856531.9	30018307.8	14664002.9	27554516	20040626.9	34669476.3	24650158	22688555.8	21750618.8	24065316.8	16720684	28310485.5	30451042.2	6457301	4549683.5	76442802.2	20389353.1	19039802.5	16805279.3	18130158.3	18736154.1	18532453.9	25014140.5	17950583.9	20237325.5	0	18345239.5	45379269.3	17748258	20455992.5	15022481.4	18788871.6	14077100.8	17394339.8	22560910.3	28017568.1	20022099.6	0	19285538.2	37008189.1	15924553.3	18845344.3	20353815.7	15282576.3	18680533.8	20429605.7	25474746	23018377.6	19441739.1	90197038.9	14984111.7	18983701.2	19675234.7	16424000.9	17852063.3	17214315.9	17553199.7	14553270.2	19497708.9	23853272.9	21922936.1	33725487.4	18877199.7	17824936.5	16801484	15950649.6	17952938.2	16327587	25202095.8	20589390.4	18294489.7	20274920	22470616.4	21776792.4	16205606.3	19746808.5	18074651.3	16567537.9	22242180.8	16484284.1	14672565.2	22161306.1	25060521.7	24488810.8	23814591.7	31042755.9	20125558.2	17429792.4	14508288	18701465.3	16151845	19005756.6	17862100.5	21657621.3	44762027.7	23411741.8	27378618.8	19498308.9	18907561.8	16375566.3	16228952.2	15835672.8	19509117.6	37082352.3	19372040.6	2924849.6	1996091.9	19432456.8	19020261	13500509.2	17289228.4	15234567.9	19713297.9	19277724.1	21021892.4	20091247.9	15122050.2	20727762	21543003.8	17358675.7	20039493.9	18918199.7	22300667.1	20922366.2	18031869.3	21370768.5	18968607.2	18487804.7	25377043.6	23842707.6	22718673.7	23322778	18421910.1	13221739.8	23411886.2	19244228.4	19470499.3	24400085.9	21713307.2	13748829.5	17195122.4	22239405.6	19014410.3	25892371.6	18622354	23247580.2	17084088.3	18703468.4	20398005.2	18976978	21057070.5	22416817	22466868	20263831.5	21537664.6	18177804.7	21695635.9	21400292.1	21597911.4	22667955	18734308.2	22779591.1	25323535.9	20898347.9	21694056.3	20102041.6	22581314.9	24012607.8	15209864	27291203.9	25423813.4	21990084.3	19000437	22178888.6	26212641.5	26020379.2	21723187.7	23556665.6	25455752.9	19098205.3	22312143.6	23903864.9	22558505.9	18143094.1	18901445.6	24786338.2	25643282	23551149.5	22990287.1	24190648.6	118336587.5	22143373.1	15742166.8	21198932.2	20110623.6	24721799.6	25400210.5	8799201.1	8864699.2	17747748	67600018.8	18731942.7	22189907.6	18852544.8	14473530.4	19761379.9	15574659.3	28245241.6	21513447.1	0	19634861.8	17790515.3	48835039.8	18777715.5	22145093.4	16481824.3	18054668.3	18359395.8	18258204.3	20689201	20388857.3	0	18991250.1	18415547.1	47906560	17746893.1	19190942.4	20538635.8	17588499.8	22752022.1	17709382.5	19274166.8	20885956.1	0	15324098.3	16815285	53121943.7	19547487.1	18133814.4	16186116.4	16739500.7	22159411.2	16951069.1	18820945.3	23702257.4	35345083.1	16474384.8	19316284.6	68046900.3	16541272.4	19568405.7	21346311.7	17248146	20370194.2	14974528.8	18733503.5	22587133.6	0	18173818.9	16078932.6	0	20622103.6	19910959.2	19180118
Malic acid	20226903.9	6619390.4	27442104.8	39184362.9	33139905.1	71404333.7	18054611.4	18196446.3	17924744.5	27878532.6	9032195.1	32204617.3	35804919.6	4640315.5	65335754.8	20806810.3	23184355.6	9407925.9	9743426.9	41307739.8	19842379.2	34505951.9	16958779.3	35642314.5	47841435.3	33141568	10217753.3	25399525.4	29148891	31071386.8	27965980.3	49797930.5	51581000.8	18797109.7	22542730.1	14086452.3	41858100.3	31850701.5	23900667.2	32364156.5	53085796.1	38422136.8	20665838.6	25993077	142572880	49009521.3	53166552.8	36088429.6	11480708.9	30473957.6	83961850.1	34368426.1	38167819.4	40735274.6	47824900.9	5441900.9	48152679.3	3826496.4	15259886.3	44610661	46819824	50130838	45987555.1	60972500.2	59018801.7	0	25450334.5	60277252.2	35539133.2	40565831.9	5848601.3	74038603.5	34121338.3	43352466.6	24577084.4	34586587.2	12743424.1	34330519.2	29936261.3	51028549.5	29543012.6	3987506	45086227	30726183	135234403.3	55521234.6	68168714	29391809.2	4483568.1	58471002.2	56499083.6	45390742.8	20949329.4	6814869.7	75088717.1	80863763.5	26584326.6	73394975	26183866.6	32855594	11571238.7	21103407.1	12672357.8	106827820.7	20322727.6	32923666.6	11193581	89298711.9	12927532.2	20514443.4	22724929.6	37362313.4	72607047.4	16742444.3	67753297.5	69712891.8	34892182.7	77947278.4	38113009.9	14188539.7	19735235.7	58789128.3	33726308.9	11273967.1	28831905	28374907.3	59263018.2	18633204.1	35863333.2	62338458.2	21049687.7	14379900.5	16461340.8	24600195.8	35748598.2	16542758.9	30229324.2	34262845	57096568.6	78312684	18573826.1	24409557.5	35418573.4	15940289.8	27600367.3	13874855.3	46411842.6	47527661.3	17599350.2	28648277.5	2942484.7	37618219.5	7362256.1	22924582.2	49649905.2	27854933.7	10956794.1	42492600.9	38000481.9	45191653.9	41613880.2	45996853.8	98965383.7	76571411.5	17747200	35699671	11945461.7	94290174.7	13626103.1	20980266.1	21744681.6	41813394	76982653.5	16671793.9	71972822.5	66695531.2	25339352.5	31313644.5	28076182.4	45624508.8	38065210.5	26246376.6	50802295.5	31128455.2	3733620.4	2313908.4	36128536.4	38825694.1	22202495.3	45924987.9	107696046.1	0	19347013.5	24581921.3	94566194.6	36848962.3	15601769	16461164.4	37527067.3	9707531	39001555.1	20478050.7	47722207.9	29048056.4	11396110.8	18022924.8	27449394.5	44687763.9	38580568.9	50408288	128328068.7	29569918.6	55614728.6	23752340.2	13142050.5	38107177.4	22213724.9	52496312.1	32391841.3	80657406.7	80171745.6	81403071.1	30206444.6	32499343.1	38822079	21533174.4	37168747.4	51664074.6	18466871.6	53670150.5	39253234.6	41949998	14629099.5	29232489.3	67247559.5	65578533	34056750	0	43682966.4	8520238.9	29423040.8	27039802.1	49255541.4	45951052.1	22265063.3	24581190.6	48177508.4	0	36790575.8	4880582.4	35275543.4	21669281.8	47873288.4	39448754	39012505.4	49675266.4	21724265.5	436780.1	38294565.2	16471225.4	21047258.6	68071733.5	40022068.6	68614047.3	32693956.6	68129354.8	66882245.1	66983008.3	23269676.4	28876341.1	16593355.1	13303123.9	32434123.1	13929752	36764401	35750916.7	7906393	11574831.4	82007661.4	30868551.6	31128622.8	11020452.1	13613192.8	26711700	13972455.1	53146252.1	33841841.9	28205673.4	6393536.2	20162050.8	71717326.4	29389379.1	22806601.6	30042463.5	34666304.3	36587669.6	27486716.4	25967158.8	95763689.1	55968771.2	84778453.4	36809786.4	29866159	19229060.6	30817587.2	22778897	10120950.8	30144174.4	85070475.9	8737276.1	14666466	69513072.8	130640638	24628293.3	37233613	58089453.5	24718633.7	26820305.5	22898667.2	16273712.8	43198584.1	26375766.7	52462156.4	45329177.2	31258315.1	8527911.7	14688806.6	15936782.5	20528915	39544094	15368587.3	14994244.7	34802856.6	50466999.2	53381678.2	75807843.6	85255773.7	53091312.5	20759934.3	27919596.8	29742906.4	18478624.5	28256662.9	6093241.5	42895154.7	64914193.6	59920762.8	80868757.2	10240216.1	19334724.3	16107785.2	21881925.1	5551917.3	43600259.4	28188654.4	29551937.6	35904984.3	57943735.8	85983299.4	40300520.3	68814731.3	34439504.1	28076628.8	18680857.4	45408254.4	25321176.5	61531799.8	35421819.1	3008022.1	3196881.3	31513468.5	34198999.7	24936437.3	24552634.2	14721219.2	18548927.3	22548391	24884998.7	20033885.5	51519457.5	6908738.7	52266140	17492620.9	10098284	73777117.7	30643071.9	36503879.1	30094886	15363485.1	13864445.9	40531986.5	4175972.3	33713291.7	33600747.8	23293834	35393137.4	13866986.9	54342540.2	36820306.1	77800593.1	56932325.7	49543232.1	155060709.6	23823541.4	38177212.6	23741414.3	33040471.4	18200015.1	27519416.2	31105983	35624013.2	32191278.3	24001491	46087091.2	42764512.5	45871605.9	17622664.3	36861664	30168152.8	25177592.2	37765790.9	32020580.7	50747085	35137619.4	83247345	30857828.6	48673755.9	33325277.2	52551219.9	121625624.1	52143542.6	26027978.6	64222420.8	29133734.4	27330346.1	46342699.4	41638920.6	40052409.4	29623040.2	30573262	10343050.3	19680375.1	4653164.1	20005398.5	35190555.7	65649565.8	56945687.2	20461743.2	36895440.6	26768544.9	24895769.6	76507662.2	26983897.1	8675487.9	30016456	12675497.4	76741666.6	70938087.3	40128754	46137149.3	0	0	27939772.1	95678907.7	20683612.1	3062892.4	32647625	40569067	39703366.3	30305306.7	3279446	24262942.3	78544477.9	22994986.2	16582319.7	45085906.6	24751582.3	23535566.4	0	11694569.5	54981237.3	29429643.2	0	30039479.6	98989899.8	33527354.5	20786863.4	21225082.9	48964956.1	46068851	50459371.6	42859284.3	45206121.1	17877165.5	21079247.1	63185348.1	34506937.8	22244612	29448447.8	21101463.7	44114098	32918152.3	48164548.6	41482490.3	11068499.6	18221871.3	49091964.4	58297478.6	42473136.8	34329774.7	24926157.6	96717831.2	52947949.2	44038753.8	26419934.7	13372682.4	17563258.6	51077163.3	19251355	45970441	91478877.3	39090535.2	34937742.7	59228501.5	88352850	48271108	44464921.9
2-Phenylacetate	0	3108414.2	3062651.9	2907111.3	4652549.1	4814026.2	3531712.7	0	3826439.9	1644948.1	3029314.6	4564618	3918855	5150723.3	3122577.7	0	0	0	0	2494281.8	3515848.4	0	784130.4	3086566	2135014.2	0	1534405	3532955.4	3221573.3	0	0	0	3282075.9	5908504.6	3887793.4	0	0	0	572141.8	3835008.2	0	0	4742588.6	3495009.4	3845483.1	3080169.4	1256717.4	1490049.6	0	2567908.9	3437462.2	2814648.7	3686793.2	2528589.7	0	2144805.4	2615106.9	5656183.6	2095832.4	0	0	0	3258301.3	0	4582503.6	2147473.8	2751391.6	4783044.7	3168551.7	0	1522968.4	4514394.4	1742550.7	0	1553349.3	3043234.7	3261029.1	0	1461244.9	0	1107279.5	2824191.6	4261752.8	2678696.4	3657475.9	3774585.8	5226497.5	5247085.2	0	1404246.8	2822424.5	2835841.9	2359288.8	0	0	0	0	1914098.4	0	3353939.6	4074298.5	3400377.9	1739211.4	0	3707171.5	0	1116817.7	3408949.1	1395489.1	0	2134839.2	3932114.9	3903777.6	2537356	4536627.1	3426468.3	4248973.7	5698048.4	0	1729960.2	2419786.5	0	2516297.5	2059084.5	0	0	3059560.6	4219673.4	2164464.7	3251296.8	2159895.4	0	0	5883575.6	0	3828871.6	0	0	4102540.1	6933216.3	0	0	0	0	0	3425400.2	0	2274017.8	0	0	0	5082563.2	4904828	1871319.7	3510913.5	2378896.6	2521232.6	0	1856009.4	3157164.9	0	1966525.5	3361730.7	0	0	3791702.3	0	3672571.9	0	3759270.9	0	3761360.3	4200797.4	5017512.3	2239355.5	0	4013296.9	2362020.2	2264237.2	0	2216931.6	2911535.6	3009820.9	898031.6	0	0	3559455	1505808.1	3961131.7	1806329.3	1293487.8	0	4648676.8	5905675.5	4150184.7	2353222.9	2601039.1	0	4301568	1505380.2	2765557.1	5230921.4	2427766.6	3905841.3	3986416.8	0	1417458.8	0	1629406.6	0	3675343.8	0	0	0	2355399.2	3344274.8	2533403.2	1180502.8	0	979998.1	0	2570196.7	0	2502231	0	4238945.6	0	3304236.3	4299341.3	3393442.8	2982912.3	2567411.2	5408399.3	2750447.5	2258958.8	3947626.9	3397659.5	0	0	0	3031586.9	4597541.4	0	3842130.1	3118172.8	402501.3	3211402.2	3061261.2	2555404.3	0	3810693.6	3068453.5	1860724.7	4129512.8	3744282.5	4185417.4	2646028.1	2552158	0	1223292.9	0	4409125.4	5158781.9	0	4886873.9	3646102.6	2882967.7	5005144.2	4611864.4	3568857.6	1659858.7	0	2393634	3203045.6	1823169.7	3099686	4757493.7	3355906.4	3470112.9	0	1549058.1	4354245.2	0	0	1653036.6	5879844.8	0	2671630.9	5329153.3	3261867.2	2637559.7	3079043.6	2476917.8	0	4064258.3	2625842.9	3564782.4	0	2889870.5	3152451.4	0	0	1966505.1	0	2269169	1629619.4	0	4358965.9	3427148.2	693655.6	0	0	0	5361687.7	2639909	0	2722541.4	1811668.8	0	4921105.5	0	0	2571790.7	1890033.3	2174209.8	3449481.4	0	3029258.3	0	3421908.5	1447557.5	1972033.5	3704741.1	0	3216219.3	2850351.5	2331000.1	3854264.8	0	5016793.8	5716912.1	3061209.4	6048777.8	1155627.1	0	0	3523745.9	1920131	1803730.7	2068123.7	2494405.7	3416788.8	3101083.3	2930481.1	4506916.4	3149422	5762570.5	3068501.9	1469111.8	2095502.8	0	4479919	3057081.6	2734725.3	2672189.2	3339248.4	1761216.8	4396526.9	5018020	2623698.7	2954193.8	3839947.7	5813235.5	2741997.1	4022763.8	2192621.1	1842950.6	4996213.7	3090897.5	4539065.2	2866145.8	3603648.9	4391693.8	4232500.3	4796204.3	3687037	1475175.2	3185796.6	3510848.5	4435547.8	1123325.5	4291456	1977726.2	3962312.4	3713362.7	4488422.5	3650369.3	3379227.6	2905486.5	2918177.2	2350740.7	2638441.3	1677736.1	1917135.5	3045856.6	4934418.1	4796161.1	3630010.6	2016901.1	3790328.5	2486255	2752556.6	1965806.8	3059383.4	3257007	4349184.1	2635268.6	4369787.8	3718685.7	1265351	4562591.7	2277294.6	3959841.3	4074648.7	4012939.5	4104004	1634876.8	2816237.2	3688368.1	2670820.3	0	3696938.3	2650485.7	2953459.8	1340147.3	885367.7	2093397.3	3944500.5	3926621.4	2863427.2	408613.7	3076783.2	3466918.8	2533548.4	5753938.6	2655301.7	1511776.8	1543734.2	6102382.5	3770556.1	416543.6	1394682.2	2653754.4	1571929.1	1897426.7	3359033.5	2391232.2	4406281.4	2414860.9	4110666.5	2291080.5	2171573.7	1751727.9	4325662.2	1452403.3	3874737.1	1953230.5	655124.8	3707496.3	3942874.7	3506360.5	4174757.5	1956407.6	1937663.3	3056628.8	3387314.3	3357842.5	2047432.8	4572606.8	3132697.3	2498290.8	3122726.7	2346869.4	3717983.5	3130079.8	5194819.5	2816090.3	0	3333407.7	2484740	2063075.8	2045244.1	2681129.9	4183545	2092891.2	1637602.5	0	2651546.1	2523120.8	5086198.5	5540237	4099165.2	1391354.5	2941365.9	2506530.7	2372780	2967337.7	0	3806033.9	2678568.3	2683990.2	4122247.4	4127067.4	0	4539794.2	3778054.2	1523768.9	4677174.9	4427151.4	4394716.8	7929827.2	2692771.7	4227574.1	2854666.5	2689492.1	3749371.1	0
Hydroxybenzoate	7376321.6	0	0	0	0	0	13243798.7	0	18182411.8	17069586.7	0	16897865.1	12595980.6	17141923.1	9263390.4	17319901	6215553.6	940924.4	10726759.4	18379305.9	0	10181919.5	22069752.6	18551720.8	0	34486046.2	0	0	20086659.3	17962147.9	0	18075244.9	16612079.9	24312557.1	30073185.5	0	0	0	9826261.3	12105017.9	0	6973723.9	18011208.3	20003939	21140272.7	11119201.6	34984464.4	35857444.7	18477863.1	9794461.2	21470191.4	10090695.5	15948800.2	0	16779792.3	0	0	0	5566715.9	15904161	7375375.4	12312667	0	0	0	25489361.9	0	0	0	0	34016801.5	17395157.7	13648268.5	0	7801049.3	11895761.9	0	10817669.3	19740349.1	9226537	2176524.9	13044612.5	5247646	15935430.9	0	9215525.1	17391980.5	14033104.3	15027481.5	10204706.2	0	17412503.6	2350803.1	4174768.9	5810680.4	5581635.8	0	0	7803777.6	7146686.2	0	0	0	0	20338838	0	0	15191066	6244204.1	10926856.1	0	0	0	11025005.6	15378954.6	0	0	9550742.4	0	0	12968730.3	0	0	33226110.3	0	12094435.8	0	0	50480035.8	0	0	13982470.8	2578591.5	0	7813938.8	0	11984481.2	0	28095774.7	52406366.2	16167522.8	0	0	9944776.4	0	9107743.2	9879004.3	3386816.1	0	9458665.4	26948109.9	0	96337327	0	9797628	0	10331838.7	11895486.9	0	21009937.6	28569493.4	0	15289327.9	0	12459562.8	7745120.6	17547191.2	0	3777570.8	0	0	12011157.1	0	7432235.3	17887036.1	0	13701625.7	13175252.3	12733014.6	13796937.1	0	5349213.5	0	0	17164939.1	0	22245620.8	1017284.4	0	9355389.5	70367534.6	0	0	4916948.1	0	13371431.8	15741241.9	11166983.5	0	15509991.8	13107817.2	0	16844158.2	13019357	0	7748116.1	11471128.7	17054605.9	0	187799.1	0	16635541.5	14186671.6	11631082.7	0	0	11036448	0	0	0	14521531	0	14409237.2	13684929.7	0	19036853.4	0	10225749.9	0	12004103	907227.4	0	20334962.6	16452814.3	0	0	11919178.6	10567541.1	0	28554786.5	12276327	0	16775450.1	1970598.4	12964059.1	18140306.8	15276900.5	12272828.7	12627849.4	15503281.6	0	12405198.6	1338075.6	2758029	14051048.9	17103786.8	0	0	18824424.7	21698919.2	0	0	0	0	0	0	0	0	0	0	0	0	15736055.8	0	3044304.2	0	0	0	0	17497222.7	0	5160377.1	4399733.4	7442997	10549433.4	11395950.4	0	0	0	3656654.8	4958757.7	0	2696202.1	2227204.3	0	4012597.4	0	7411035.2	0	0	8241076.3	25881410.9	0	0	0	0	0	8165881.9	0	129534490.3	0	0	0	11240761.7	6312770	0	13760777.9	10297742.4	0	0	6000848.3	3708698.5	0	0	0	0	0	0	7081834.4	0	9738715.6	123020842.3	4730359.1	0	0	0	6031410.1	5864923.4	10904784.1	4349525	0	120365025.5	0	0	0	0	0	1667563.2	0	2935610.3	0	0	0	4752321.1	0	0	2310446.4	0	0	0	0	0	0	0	0	0	0	0	0	0	5947102.9	5524043	0	0	5300410.7	0	0	0	7469622.6	5115245	6767564.9	10981464.9	9063868.7	7420315.3	0	8815772.5	7993448.9	7435032.3	0	0	8171917.3	7326946	0	0	8368050.9	8309914.9	0	0	0	5100441.5	8300662.9	0	0	5138112.4	0	0	8387788.4	0	0	0	0	0	7129100.8	0	10333240.4	7071012.1	8894796.1	0	0	0	0	7202121	8622241.4	0	0	7743776.6	0	0	0	8560912.8	0	7625165.6	0	0	0	0	6431285.8	7016617	0	0	0	7828039.9	6642701.5	0	0	0	7406278.1	7870283.4	0	7832112	0	0	5657772.7	413494179.7	0	7770696.5	0	0	6269515.1	0	0	0	0	11380581.7	0	0	12459699.4	0	0	0	31306912	0	0	0	14187381.3	0	0	0	18712656	12683541	0	17829169.2	0	0	20564582.4	40695743.4	18699066	0	18725601.7	0	0	0	0	24547020.8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	681097.6	0	0	0	0	0	0	0	0	0	0	899269.9	0	0	0	0	0	34253935.6	4121686
FA 8:0 (Octanoate)	16319431.5	0	1884127512	499687896.3	1764518195	341516591.5	470601912.7	1802522176	2469631816	979228985.1	1389957219	2545066584	2056865897	579466335.3	2387537603	262744706.1	450693393.6	2361867447	603830655.5	1391403953	3689032969	581309000	374389513.8	2035071599	2290823242	474670942.3	2628763876	4327176110	4659767340	1735638518	566536284.5	661412460.9	2334516507	3192666526	781275788.5	1535056378	2904008927	2496053331	4267539586	516509515.3	2038809013	642929264.3	344451043.9	2244650869	3447601810	2412797346	2600077781	519069785.4	1099453364	448070418.3	475610748.1	1987669757	1632735532	3063421280	122962275.7	3385076084	249355788.3	1132956371	242459628.3	722154205.7	911097636.9	228109472.8	377863090.6	2039202341	591241624.5	1790518418	2941081294	236665790.5	1935270971	709533204	2256135174	2869910309	3864161376	425908036.5	1593856185	3003005379	662485441.9	1823507234	1350928323	3431697326	508808165.3	2998451877	421881532.1	2529337685	6501134857	1318956477	3807137474	546956943.5	2003946786	334439387.4	2216934523	550263890.6	125280344.9	126187153.8	2018460571	658316687	2815143146	2367643955	3395433995	3760180049	334517274.7	2695342051	1110466694	660223008.5	1821866360	1191650995	677399884.8	1037068219	853116513.9	4000739026	5237164598	3982426742	2534525041	654532029.4	1433882118	555831246.2	2076140192	563657463	2873923678	2539548611	1430309730	1207219952	4292362631	1734451498	640711798.1	201751264.9	1559449561	954746044.6	1873750544	1531084368	588410566.5	1792348072	413281025.4	1423813169	150460450.7	1063074637	2066165578	612292497.2	1790834875	418858414.6	3354381786	1370991614	364756770.1	1616614426	712277965.2	276263071.9	273299156.1	1845728705	444213439.9	287217481	1185257281	1270494452	2670615829	520288704.7	580666678.7	2417448434	2420397470	1716607631	1829533957	6063245266	2466825181	589661231.3	1456773943	707822856.4	1745950854	1078615114	569519314.9	882635477.6	816253609.4	3677682257	4993594810	3522242247	2248600637	769664289.5	1354409920	494772741.6	3667158324	2333457603	3318632941	1339967418	498862746.3	317306375.7	2023239456	767047957	0	0	1922158811	620633080.4	895207205.4	3140601123	2632098567	2033083679	2357276468	522492022.5	5632777468	840008722	347422351.1	98194366.6	333916477.6	2375864512	1544771583	142586476.1	961879054.8	2740078118	607591447.5	355097722.6	1265264310	3515633425	2111939617	597188073.3	2149009332	123619071.8	1090103739	202950506.6	2269394188	3031105247	891955898.8	1202742919	2375497861	3157478283	3868514587	1932791222	349975288.4	846147447.2	1273900481	2320691078	359889974.6	3665965598	789252253.5	1993524003	2016346979	443862876.5	79815341.1	3087756667	3728218062	4819900635	2501083856	2321257830	253340213.2	1235478734	1165736747	3233452375	1215250151	390445765	762364458	2968801068	5448206855	2482285484	243604447.2	2643236307	489309629.6	624834362.9	2006890759	658836312.7	948145110.8	1246320686	109252511.2	3180491336	3365744564	1017665924	1189865334	1303272443	3166064371	1240790361	2694841197	375344092.4	968268576.7	3152379718	2406965830	1270734881	262036100.3	1609376841	490290935	503579360.6	615814444.1	531453920.4	0	0	1958720534	385960015.4	1581427544	1531748192	2655343381	2356859705	2096675725	1727274207	0	2242635577	1564006096	1285218953	2607620916	1384524392	1665816144	1103325144	2323884099	3189062126	2733655325	1719876986	1624278321	4232291283	1350513621	287407004	93895852.7	166283714.5	2227998674	930667835.8	3005439700	2883026369	4614602586	3388659510	99632612.9	310289647.6	2435980722	1896237122	836411607.3	1835781876	1026274095	2641993472	1608841173	2480510118	886657341.8	1615541984	1639157543	234727989.9	3012387938	3902134544	1320707681	551449750.2	211681983.2	3775537545	1179900416	539524479.5	496773090.4	81153691.6	2740789283	2252255770	3347246581	2288040184	3094515405	2210732217	0	3737659845	108374774	1151313310	1599653950	306255139	36854809.5	4199325446	1195383866	475157612.9	2669029966	225430429	3702828846	264218147.2	2879975806	1528808845	208567215.4	1519531781	1340794101	3139755428	3117589764	1568936773	562629810.6	5300600946	0	292404156.7	1604430397	358317193.4	333379230.7	331813275	2656362703	783562282.5	670604656.1	3375375853	482195959.7	1392994349	621695858.3	3229746353	2976155903	512662823.5	3233422753	2355238254	1097976820	756677380.1	496465276	1143942861	2837583095	1347058409	467114043.8	825614431	1071942595	3946708672	2543408703	773400418.7	296802198.2	1797267013	1226661387	2700299484	2054788818	439165541.8	5182444891	1527479516	308109538	301940883.6	4658236140	827603408.7	5127560805	1827489739	4832581263	772180993.5	328315471.8	1247915118	409960520.3	2598220730	2914570092	766719422.5	1727880103	2025946088	1119872097	483709485.3	370689971.5	334373237.7	1979658688	1134596670	1063197418	2436288370	1017663901	892068176.8	1117326447	1041121671	3280138819	880688565.8	522915125.6	2416518360	1955297295	694617286.2	2376120715	969266483.5	2391000174	2347770757	3457094812	1616643502	395903775.3	636815063.2	5454516556	1059035691	933110987.4	377422756.5	1843851864	3209177946	403052222.1	448086592.7	1596680409	2767403394	774321205.8	626407751.5	1483459625	814479345.1	2401807586	770466262.6	132867174.9	135038639.7	1978042975	578971563.1	393952899.3	758682238.9	3402181694	764471795.9	2053110453	130390172.3	2051001987	2316282105	2075417057	2570646829	1050407773	2979896056	322115247.5	1908504200	401386398.5	2135118110	338929290.6	4556203408	1108105579	2381436346	1348373347	556256678.5	3342156990	368981665.3	406079393.8	2098006791	2404642183	83440957.3	787814184.3	4244477302	2433998239	2791215103	1021499476	171239835.3	673254063.1	206862937.8	2775355646	978759272.9	1897946427	1319766604	889752738.1	2039309870	2549793943	499322309.8	248944762	43798285.9	2517501041	247926610.5	4737186083	2926445051	3927873111	4686411802	3057925470	1307669641	2096870574	617922737.4	1591032204	980687773.4	2203075508	1239518143	1300572661	2581409833	492470988.9
Ketoglutarate/Oxoglutarate	12337647.4	11675990	0	0	40174449	54076751.2	28211033.2	69335419.9	80159498	38635326.9	83914055.8	40728549.9	41615672.9	51228573.8	85068609.5	20555411.2	50677153.6	92485055.7	45413739.8	41343152.6	54611221.7	29378909.1	44108547.7	46768647.3	0	0	58394334.9	43408325.7	43107204.3	50248172.1	45034358.3	33508551.4	51423347.9	57777024.9	195665992.1	100437227.4	53709436.8	50764368.3	49558762.2	30052392.4	65916266.3	41885194.9	43255578.8	48460022.3	98289278.7	58699637.9	0	0	25118419.9	30113544.6	59098444.8	58474235.3	28058759.3	51199221.3	34763384.6	74414627.6	31961212	13049893.7	21702990.2	76415866.8	26699180.1	45889609.2	30709908.2	35097723.6	77198707.1	0	34763624.9	54681787.1	0	4210924.2	166973468.5	42703566.3	40837357.6	28216280.1	37391574	71766383.5	65293178.2	61006829.6	51407024.7	36312138.2	42348083.5	127780124.7	29374620.6	41277644.3	161294994.3	24760465.3	81985656.4	26707369.8	86971389.8	39651719.5	0	0	7065499.1	8292636	5477817.5	5696680.2	100788965.7	94658475.1	76049160.1	77491461	50595442.2	54913306	46731369.7	106896778.5	81169219.2	60491981.6	66082089.6	62759330.6	27935055.6	41873003.9	51458287.9	43337687.4	152889065.9	38873544.9	64283201.2	126456070.2	4006328.4	6229045.9	58495425.2	50934143.3	25428650.6	72809133	78410396.1	77160388.6	32237837.2	46278442.7	70780671.6	68112893.5	31491437.9	37439712.3	41817989.4	51978514.8	47489290.9	33330638.5	33273667.1	65161528.6	53891070.6	47716565.5	7999916.9	4074043	55732180.3	28157097.8	44095548.4	38447064.9	26039318.9	36393278.5	33561676.6	60959307.1	48226806.2	27624823.4	86670189.3	80257594.9	138161009.3	35771647	38140840.7	48440503.3	41962087.3	38082745.4	64293831.5	82740521.8	0	4590649.3	111593669.6	49812781.9	95711659.2	57370536.4	58801357.9	65270893.7	25462668.7	53407636	60810508.1	33482460	159011487.8	32020529	61049859.4	114328354.5	49405096.7	30054090.9	61334355.6	55852693.9	24581120.4	23030991	0	1717152.6	3532912.5	0	0	0	47018697.5	45973064.8	249180364.4	61339940.7	29872020.6	30186792	121941702.2	23772435.2	30765602.8	29878519.5	38993475.8	51782181.8	58701407.2	30647784.5	37257709.9	44590333.3	39968540.3	38571950.7	50065044.1	65013084.6	0	0	120413650.2	99652462.1	30911174.4	32040464.1	59762605.6	54687567	37449218.1	59230280.2	42492676.1	74818379.5	136305456.3	64923479.3	52179934.5	49041192.3	39070328.8	52977217.6	32750622.9	47914294.5	38106173.2	35740942.8	0	5271791.7	33617785.5	76649136.3	52652121.9	68511198	42252492.8	64114095.6	47571422.3	92342878	44657988.3	53158429.1	79744199.3	4588174.4	45045316.2	57844998.9	67759403.5	60547545.4	37354146.7	63687558.8	60616884.7	36437193.7	0	3257407.1	30341371.1	59596914.2	76886691.3	49536105.4	79389753.9	34895004.9	46189696.1	33677266.7	68868860.5	40347433.9	59666152.9	39544720.7	59167250.3	66585058.4	68339407	49326478.5	32893293	59496230.5	37892158.6	37311912.4	0	2097853.4	3487082.3	0	3382336.3	0	63653247.8	37482824.3	36067252.5	43657949.5	56130947.4	50520424.9	36561483.6	32166981.7	85697273.5	38392779.8	68941437.7	56598896.5	54873084	37845301.7	47363652.9	78106137.5	76210217.1	52247168.2	116864921.7	72456876.7	3492211.5	0	65046912.2	32514005.8	52982462	27323897.9	54630862.7	72950619.1	61661186.4	5522555.3	48276632.4	48073614.2	163673076	33154473.5	38765480.8	57321489.2	48726314.2	61256575.5	41310679	41450778.1	109155340.2	44067033.7	4989335	3852636.4	55654316.6	69821507.8	30210400.8	46924276.3	34934514.5	81341300.9	36827071.5	81201835.9	36770825.5	78922819.7	80907803	69308713.8	118459858.4	124433438.6	52816928.9	56839209.6	31978781.8	43061038.7	26830779.6	58702251.6	0	1827288.5	34072599.1	62551695.1	169125414.4	38871033.1	49004745.5	31972493	67603959.5	41596599.6	57400130.4	44914917.2	40702007.8	60794956	145194045.4	65397460	80264807	21724821.3	28745011	55957806.7	27658523.5	57088949	2898434.2	4005043.4	0	0	0	10723399.6	67470561.9	51846773	35231834.3	49429030.3	48945424.9	63423419.7	45544025.6	34981424.5	198199118.1	48250125.1	40242804.6	31094970.5	66034363	50948565.4	41175300.8	31744880	41464698	37671884.5	78539974.6	186561130.2	0	0	33424041.7	69800154.7	39078460	94558571.1	24044640.5	35234656.7	107950316.7	44410855.9	59986508.3	36424622.1	57486087.9	37729869	67601789.6	42714512.8	74297701.5	41644939.7	49464187.7	55766934.1	42839570.2	46131485.1	0	11331022.9	44312741.2	44389473.1	42958883.4	20823201.4	36745267.5	38406700	74184198	48587050.4	61416563.8	55410776.5	46731915.9	41842889.3	42817387.1	38239376.7	40410972.7	57905533.6	47530818.9	55295124.6	32892123.3	38853572.5	10895480.7	11658998.8	43738181.8	82989516.1	62057503.7	46209011.5	37273703.9	32721943.8	195042764.4	77251220.6	48911238.5	31572919.5	64754306.7	64553480.7	28334808.1	44902960.4	44489902	40619945.8	47032636.6	79692534	64358577.2	54408106.4	0	12005871.4	0	0	0	0	26956098.7	34959217.8	47569494.8	46581870.8	71111948	36957901.9	57866753.8	65222772.2	97113881.7	40152066.1	32829202	174097690.4	35932312.1	57579529.5	32766463.3	43029005	75088632.3	65174309.7	67702906.9	53621729.3	0	0	11320832.3	77154369.1	51238913.7	52711684.4	69004886.2	47775947.4	93790169.1	80511086.1	58687893.2	76849577.2	85659434.6	99945487.6	49487692.9	79270475.3	51341354.9	78776798.4	89670935	39179614.6	51783239.8	36654913.5	0	0	103549531.1	32235924.1	35288238.5	53518007.2	85111386.2	48595223.9	66127654.5	79839463.6	57313102.2	62148254.9	26606642.8	36407173.9	74391618	31739754.5	36356452.1	61804766.4	53658651.1	0	0
Adipate	1201741	0	7849652	7346282.9	0	3026329.2	1265775.1	0	9309875.5	957154.2	13599956.2	3248311.1	9454103.4	2256221.8	3156429.2	345480	1168107	2373804.2	0	322695.1	4680182.1	1487319.9	3205174.8	0	8110594.4	7187946.2	2633910.9	0	10824502.3	5553355	0	0	1318976.2	8158118.6	20892111.4	6961492.8	5958303.6	5330177.2	3679863.5	0	122665.5	0	550739.7	2547313.7	4227153.2	448166.1	8172603.4	5595523.7	5842971.4	5087246	5911573.5	5118829.1	5039021	715229.1	3137289.6	2877317.9	0	0	0	1547991.6	5580412	4480310	0	4341308.9	966373.6	23500202.1	212795.5	3946637.2	11634010.6	8529674.3	5701176.8	3742692.2	7042381	4315360.9	1380557.7	2949009.2	84558009.2	2147656.2	6526221.2	0	0	10060229.3	15283823.5	2865105.8	12111354.5	8995291.5	13032675.1	975981.9	2448163.6	1106789.1	7333579	5937682.2	2535235	2482058.4	5475496.7	0	0	2126717.5	3006945.1	3017773.8	2533587.8	3294974.9	10069426.1	0	3414065.1	7247342	0	0	2796385	2813559.7	0	2634946.9	0	2883983.8	3537058.3	0	2911151.5	0	2999948.9	0	3774789.6	2485411.7	26247288.4	3168648.7	2944751.8	0	0	0	90515310.3	3631396.9	6985626.6	29906717.2	3907025.3	2097022	2958852.5	68683789.5	0	2896028.2	2946980.6	0	2787451.9	2804036.1	2702374.3	2360740.7	2521878	2574934.3	2287276.3	3000096.6	2708049.8	2987627	3362464.3	0	2785334.9	3482266.7	6767109.7	6249140.6	3552611.3	0	2730653	0	3564794.5	2964565.7	3649820.5	0	2696391.6	0	0	3822382.4	2184321.2	0	0	7006275.4	0	0	0	0	2116120.5	0	3428089.9	2578475.8	2353127.4	3402418.2	2546329.1	2969641.7	134707.6	450815.3	2235001.3	51927975.3	748494.5	61527554.1	36689217.4	70529876.9	11530405.9	0	2280761.5	805869.9	0	55226701.4	0	0	923321.5	938236.2	1658457	0	0	17685.7	2213360.1	10643782.6	2035501.7	2640650.9	2049023.1	7026478.1	2279271.5	3145358.1	1084345.6	665061.8	9112454.6	1610659.5	1845917.9	0	1556538.4	867286.7	7295204.6	0	1764826.1	1224754.5	1918222.6	215885	8160732.8	948848.6	2191757	3498743.9	3054124	1167541.9	1555866.2	1228803.3	0	8049301.2	1692822.5	4243408.3	0	1297107	0	1487742.5	1685873.3	4147770.4	453483.1	2551274.2	0	2922122.5	0	728300.5	2949205.8	2354278.4	498196.5	814479.3	0	1508109.1	3807372.2	0	3686370	2842692.2	1775296.5	531493.2	1693136	2120128	1047358.8	1038699.2	3949547.8	1102079.9	842812.6	0	1979679.9	0	3873189.3	4246013.7	403020.3	0	0	1514459	1221346.2	0	0	1914117.7	0	602296.2	1123125.6	2993917.9	8648731.9	702980.7	3045225.7	0	4062737.2	48646319.7	2931552	5984397	340580.9	1386293.9	3955357.6	58665305.1	9386031.4	1430151.9	5587535.4	454053.3	1905662.7	0	63617.7	1394805.4	43184384	2258905.4	4405512.8	1273354.2	0	1590983.2	4947014.8	948565.2	53555313.4	1757935.5	4330705.3	0	2516436.4	2685653.1	2675234.9	4663047.7	3514873.4	0	57069531.7	0	857237.3	1523586	2575056.8	25832013.6	0	3328005.1	3317745.1	1528180.5	1162874.6	0	1886467.6	655823.2	1562870.1	2634420.5	0	2027787.7	4435622.9	5027918.8	1870623	395335.1	10147628.6	968300.5	0	2038249.1	1293951.5	562319.4	1763147.4	2984367.5	1829492.4	5578327.5	5761657.1	1241988.7	2931971.7	12724927.1	3523661.5	330644.6	1260182.3	1193442.1	6175490.8	2884319.2	4144933.5	3780439.2	9079635.9	12742665.2	6261938.4	3766362.9	912399.3	3760395.7	0	3134437.5	0	1529943.1	9120643.5	8292491.9	1514571.6	0	783265.5	6092865.6	2192000.9	9830869.8	398968.3	1914513.3	3154272.9	19073007.3	9883835.2	12241844.1	2110161.3	13255689.1	4338786.7	2464173.5	3041741.2	3378036.6	1439939	1668915.9	2888627.3	4571815.9	5316578.3	1192708.6	11364353.7	5181199.8	0	10198333.8	1153093.3	1977747.9	1685702.9	5475243.1	6145470.1	10746412	0	3895140.5	5992592.2	1136773.5	0	4309699.7	5775665.5	770169.9	12215537.2	8214177.1	10295586.6	8746259.3	0	5023728.4	4312627.9	2483291.9	0	1700880.1	2682811.8	2240928	9639736.5	15069408.4	7461865.4	2830559.7	9697087.2	4654303.1	1848938	12365995.8	2451286.1	5137906.9	289845.7	9252659.1	7222582.2	3885218.2	2998795.3	4513373.5	7332597.5	22272416.2	3227133.9	21485045.5	4015161.4	7849322.1	13011766.3	15616899.1	0	0	902079.1	9451102.6	0	0	0	0	0	311403.2	56326834.9	3257172	0	2329665.1	307387.9	3275864.8	107380.1	5808948.1	2031566	381885.2	403147.8	7462982.1	1495758.1	41590113	0	0	2529512.3	3658929.5	1869491.8	0	0	0	4227706.1	0	0	43566722.2	0	923318.1	50340195.4	6408207.4	0	0	1977840.1	0	0	0	1842886.3	4720531.6	2427640.6	0	0	0	0	207502.6	0	2709322.6	1726556.9	1295029.9	295386.6	3691827.4	0	34132255.4	1722132.9	0	0	0	2230612.5
Lysine	2979177.8	0	1986898.3	1614201.4	1169925.1	4773530.3	2203834	4834527.8	2396444.3	808938.4	2150762.4	3091693	1579155	1323073.7	6376006	419236.3	986905.2	1665765.9	1362261.6	1668704.9	1042347.6	535208.4	1432757.1	3992926.9	2092286.3	1583083.2	1970459	1015372	2077402	1427381.2	1433459.9	4368714.5	555719.6	5521462.7	7067655.1	24854276.6	1641667.6	562049.4	1227376.6	1338789.7	3099274.3	1248065.9	902459.8	821356.1	3786047.2	1164348.3	1428097.7	3189764.3	1494953.7	1295544.7	2708962.9	1631428	368469.3	1197956	949598.7	2518722.3	1414520.9	1159728.8	850943.2	1805514.5	3061921	2564395.1	1846252.9	727648.7	4819675.4	0	1213712	1223382.3	1831252.3	2466324.9	1255322	1220473	1389941.2	1089922.3	710058.2	2799042.2	0	5553234.7	2059927.9	0	329944.3	7525851.7	3816678.3	3145582.6	1394231	2099896.1	1535292.8	1425915.1	2559718.5	3830831.3	1811837.5	2540972.2	1006266.8	410994.2	4444195.5	2142360	2498179.3	1568974	0	926254.8	698831.6	492461.8	3379675.8	0	8356098.8	12890626.9	8435928.5	13713128.7	906059	1384418.1	78157	1364502.4	2728829.6	642964.4	1123665.3	0	1970248.2	1830169.5	2111957.6	1273856.3	1887432	2012725.8	751787.8	1307025.2	987324.5	28355.2	2714666.8	0	0	0	480208.9	1192480.4	996564.9	0	261719	4078972.4	1013070.3	0	5888586.8	8967885.8	624851.7	1188767.5	0	1000342.4	0	1502511.5	2014505.4	3125139.2	779099.6	769551.2	1141802.2	8557725.8	275671.7	0	0	1833009.6	1312845.5	1516836.7	1937139.5	107722.6	1259730.4	876270.7	2983663.3	6905845	7978084.9	3258574.4	0	0	0	1101344.1	0	0	4123193.7	752126.3	408532.1	0	0	0	1366620.5	1141747.4	0	766473.1	972436.2	3081214.3	0	0	0	3406584	467638.6	0	0	2750312.9	0	0	1595743.5	0	0	14369747.2	899288.8	0	3846903.8	105432.6	5056150.3	2182792.1	0	1025092.5	903627.1	4988001	875077.7	98063.7	648985	2815884.7	2400114.3	5123802.8	2285498.6	0	0	2905726.6	1768818.9	0	1478600.9	3109541.6	316111.3	1778988.3	474892.4	2351435.2	1936492.6	0	1956427.2	429034.9	1893167.6	5381533.1	0	2121976.6	1349535.2	0	0	2739630	0	0	3128106.8	2842660.7	0	2237024.4	1960504.5	1495735.1	0	238699.1	263352.2	0	917264.8	1901350.2	2104681.1	4371983.6	0	0	965911.6	6720165.2	1971851	0	2927474	0	0	0	1421837.5	2223528.4	0	38202.3	2004458	0	359780	2281703.3	0	15716853.8	299820.4	2558672.3	0	0	3107695	834321.7	0	502804.8	1508792.6	0	2442264.2	3159430.3	4162722.8	1376891.1	7235542.4	2850995.6	11779584.1	963374.1	1016205.1	1279188.4	751329.8	3035543.7	0	1188529.7	1998410.2	1286440.4	10231006.2	1239182.9	15148602.3	6062413.9	0	2214785.1	0	4823807.6	723786.5	5662461.9	2005068.5	6554110.8	7529660.3	1173863.3	0	1622847	638708.3	1285895.3	1920202.5	2243827.9	1271821.2	875959.9	698475.1	527906.7	1510059.1	80687.5	0	2787415.4	0	1115399	10192.4	0	0	3983592.9	1954155.9	0	4370439.1	2968963.2	2210903.9	882536.4	311646.9	0	0	402806.4	3281675.8	4495640.7	1572626.6	5348385.6	4808001	0	1044845.7	1500025.8	2562781.4	0	0	1752439	599648.9	4339708.2	1173914.6	667814.9	0	1283749.3	0	794668.6	0	0	3000404.3	217722.9	0	1479772.1	0	3015917.7	2496388.7	0	6945811.4	0	950540.7	2251674.6	0	0	0	0	207516.1	0	180290.7	2896184	0	986594.7	0	1032357.2	3245823.1	3086523.9	792586.2	1862346	0	1753618.2	2068027.5	1521087.3	4686070.7	669785.1	2955966.2	4795781.8	16496660.3	0	0	29365.7	0	0	0	7423415.8	204568.4	1293136	1720528.4	1496671.2	7660652.2	3062601.5	327522.4	0	0	2307211.8	0	2990520.5	250560.2	1468621.7	4240112.1	3985484.9	795856.2	289026.9	0	3021055	3012054.9	0	0	2594141.8	0	3031319.2	2857839.3	552604.5	0	2688635.2	3400598.6	0	1171363.5	1590850.7	3566105.1	6623707.5	156963.3	0	563302.6	856086.6	0	0	3017446.3	2937957.8	764598.7	5810702.5	1765439.9	3299877.2	1832716.2	0	0	1457458.9	1636608.4	3075797.6	0	1495438.2	1562675.3	1299298.6	1250782.4	1060563.1	0	0	0	775323.1	1073255.2	4167978.5	728641.2	1401814.2	19640492	2347332.3	2885977.8	1610920	2217058.1	4521597.5	6428787.9	991314.3	1421462	2467583.7	1585453.9	1071237.4	1553394.4	837888.7	1548745	783181.3	1020064.7	1108208.9	0	3183678.9	1859143.7	3627330.2	0	858245.6	2392797.5	737874.5	1304078.2	838809.5	996027.9	1984862.8	11231035.7	1600650.7	826060.3	0	1801184.2	2156319.1	1110313.7	2464702.2	0	1328586.9	0	1393300	0	848269.9	1773596.8	5310705.5	4017265.3	2878861.4	1003999.8
Glutamate	0	0	210966771.7	221973316.1	216202150.8	247424972.2	349896551.4	204084734.9	293925612	339701220	286820877	222295538.2	217326807	292313829.5	221502209.3	58184753.8	193186284	321214621.3	190036586.1	189231684.7	166559222.8	202028533.4	98974802.6	180007731.6	214946106.1	204166939.3	139270131	149478283.1	53651084.8	215534190.8	41388472.7	128762502.6	279889763.6	190251586.5	122273567.3	349165039.1	171130956.4	264810555.2	230603758.3	180493561.8	244771229.4	184320906.7	216733050.3	241658649.4	358813845.1	148575860.3	250579176.6	238370356.9	79435243.3	307300823.8	362952415.5	153700361.7	246561407	256048682.4	388667943	367173021.4	234603219.4	148708639	244441069.5	376750560	148572624.9	224680647.7	34939067.1	55478366.9	198313237.4	178402584.9	196999863.5	301971911.6	216882111.6	244837241.4	129286668.2	182317399.3	281604447.7	204948561.1	322562240.6	347187850.8	303157489.5	289143121.6	248272579.1	244228379	496352860.2	230041852.6	187274680.7	203608847	432044428.4	26195356.7	413680627.5	111888233.7	459243856.2	46019538.2	297258643.5	307313544.6	16429293.9	16265304.8	446703673.3	483753250.7	300482083.3	506381491.7	219302401.3	172334636.3	148154271.7	275556378.9	44887283.7	384713507.4	215059019.3	345542451.2	230703364.1	256680150.9	95728918.2	148474022.7	198079743.2	173450151.7	183828782.7	220550857.5	298921220.1	478802526.9	165918413.7	452754750.7	144613217	107932222.3	127866696.7	166895731.2	131025592	224689944.7	214724273.7	191009550.6	460673649.3	404043431.9	133712109.1	291126819.2	165312032.5	164015506.7	29006760.3	101631397.6	125590786.7	264763777.5	258548682.7	271382357.7	389705067.2	455835009	148952643.8	135145407.6	69058599.5	225212080.9	91906382.1	220134009	89099652.4	208768559.8	192105131	117432134.8	405124972.2	398618218.1	107543895	187899929.3	146321786.7	323289763.5	161643756	139116130.4	307371142.6	229349131.3	239679960	294488789.1	269866128.3	360034830	233900489.9	357382980.3	233502826.7	264194538.5	101039145.1	159202053.9	210397123.2	185630301.4	190799581.7	232601179.7	315879085.2	462817415.3	177702106.1	181582964.4	175700696.7	416218077.5	134079736.5	145527811.6	234838611.5	170599166	0	0	218571477.2	250967115.4	199742465.3	249185468.6	219151218.8	90066128.3	48257267.4	137000137.4	287599602.1	174098041.6	134239994.6	103115252.2	237083855.4	246567230.9	40213688.3	159020107	111408054.6	392531796.5	166589109.3	62254243.5	16432788.2	181847896.7	226804706.2	245577042.1	420431070.9	282389918.3	87146594.5	276047368.7	363235619.8	146450678.9	173056351.5	266851605.1	126004836.8	212059997.5	183227546.5	293473165.9	231676271.8	217076930.1	144448091.9	231222540.1	235861054.6	67403998.5	271633800.1	175108223.5	270881181.9	250512942.9	140597042	222202970.3	212701215.1	459864577	277582822	183904194.2	403935110.2	270190792.5	183929724.4	89403210.1	261564532.6	345693386.8	252931550.7	181495226.6	224823708.3	325746325.9	289396203.2	73200891.5	248285554.7	500627473.9	268603616.7	281621204.6	320572371.9	151879302.7	240983322.7	178567174.6	404305099	437863863.5	291148878.6	92337450.8	297904129.9	146112715.7	175991918.1	178993581.5	315807260.3	353513441.8	380689888.3	219476679.1	151149190.2	228325802.8	274627809.4	200218659	254975108.4	251426358	55444665.8	42520615.5	525291081.6	180698631.6	257052729.2	157856191.4	127340494	142008166.6	147476863.6	202722085.2	117072234.1	109763231.4	321862017.3	175515405.2	316385903	111396166	226825215.7	165481306.2	172703549.5	127110676.2	201867971.8	324359759.5	401448805.7	238941003.8	534170859	189748558.5	565941017.9	158463184.8	252773494.2	182611837.5	156487760.3	104787037.5	171337576.5	133380023.3	272496257.6	213324926.5	610913218.4	65135050.5	209984079.9	188404232.4	166199661.6	141124422.2	154729296.9	127595966.3	167367982.3	224107500.9	303518074.8	249805616.9	284689085.4	156761520.6	168025258.3	108322349.3	227324986.6	207444578.9	152073326.9	175162059.6	241987491	335867447.6	420978706.6	165729338.1	444422623	242513795.6	153532187.1	161460108	165553460.6	165030612.7	139156915	162495019.9	260573983.9	474525635.6	307129894.4	347213421.9	239485129	179998825.8	197702952.8	77207858.8	197933870.1	177255055.8	201378141.5	119978963.6	197304444.3	453598169.3	433972661.5	294233701.6	168539094.2	184318442.6	166451798.8	143795119.4	91350338.2	181447297.8	441732527.8	215076309.6	0	0	192090898.2	193602204.8	95403981.3	241899249	169391084.8	244672081.9	350313028.5	132410739.9	177712039	209656135.9	124602189.1	221649856.6	177648186.3	285049962	263650019	254813187.1	145298837.6	189074622.5	322188475.7	163251506.4	287417831.5	482094941.6	204775546.9	227648962.6	278336554.2	218442619.4	66906049.8	261920386.9	142518003.1	246514597.1	197832984.9	401653526.6	276283893.7	62998979.8	127606830.1	203885630.6	345099269.2	153124268	282768924.4	131142786	451577488.5	114970479.9	165218240.2	226861526.3	243296417.6	240787805.2	178266881.1	154697943.5	354659307.9	134057595.1	231557936.6	226895496.3	303142989.7	104990446.3	149163129.9	233275710.4	211331267.2	125944956.1	142958667.4	184473889.5	200717381.1	297766882.3	209785777.8	352013210.6	168854954.2	25677077.1	74821153.5	297076774.8	233139238.8	321706324.7	353000917.2	279479593.6	133352883.3	150639646.1	179173745.5	344638629.6	102389970	71769231	379241478.9	323405064.3	198790926.1	342633153.2	132877235.7	493043451.2	299551599.2	50284809	536369762.5	203925770.4	297679980.1	303893699.2	8283624.2	8971718.9	146499620.8	463324973.2	138129455.6	269241410.9	262512728.5	74163604.5	219140501.1	48385958.9	228309469.6	347903366.5	324017448.6	126971140.5	130815401.5	420056142.4	213532882.1	196299256.2	444186294.4	182057914.6	288539323.2	165841085.3	185387071.1	285796773.2	452683822.3	173689861.9	135587694.8	117350726.9	252563958.4	240538563.1	296844650.6	149990711.4	217165436.2	106890052.4	212823797.4	351560345.9	476947421.5	178351054.2	199846746.2	561959543.5	258060695.2	227480284.4	107480590.9	167098375.5	294645337.4	91472150.1	188890980.7	325783148.4	129328300.3	107368444	207998080	267869007.5	159253905.1	232681671.2	232067669.9	177619048.6	203718814.3	52962885.9	170484125.1	293531701.4	328922604.9	117179796.4	100419426.6	463136289.2	269459862.7	260953944.2	283969630.8
Cinnamic acid	0	0	4764300.3	1579998.8	2255396.6	4082442.8	2674202.5	1642468.5	1304668.9	6527139.8	0	11800534.6	6844650.4	2490392.8	429916.5	5540300.4	5641571.3	178215.3	825725.6	12689586.4	818365.3	8067490.4	7993926.8	2431320.9	924190.9	1014758.7	2595876.6	5464245.7	7976113.7	7584441.1	11731031.3	12113762.2	1255161.4	1747567.6	4023957	2487681.9	1150511.1	2125771.2	190255.5	2221959.1	1019985.1	0	733008.7	566474.8	2540220.8	780034.2	1399034.3	1639318	0	9207480.2	71379.1	560738.6	2345024	908817	1365725.1	566679.3	1746111.4	4163806.3	1847650.9	10024476.5	2578750.3	1002458.9	12335842	0	2291065.6	5202632	4577376.7	8821256.9	2246891.4	1437902.7	0	467801.8	1479564.4	876533.5	5446243.3	1724329.6	9248717.6	870858.3	11972725.4	267638.2	3150685.2	394809.1	102325.4	977798.3	1786094.1	92794.6	2375460.6	168592.8	217047	404367.5	1226526.1	1646470.7	0	0	6199102.5	15590064.8	6191291.8	1272904.1	440529.3	3257439.9	5361837.2	6397521.9	3354350.4	7770279.9	1058367.2	6068059.1	628747.7	4094351.9	181043.2	10722588.9	547907.6	3114033.5	1039195.2	5067040.9	6179904.2	19335037.5	484468.5	10460457	338996	330658.2	2469124.5	245587.2	3736607.9	649319.7	558537	5534949.1	12348950.4	10921162.4	16211093.6	4894487.1	408349.8	3272575.5	3169690.2	464772.2	1508933.7	2708382.5	498348.8	573869.9	696440.3	2685415.5	545778.5	246033.5	3298398.7	367746	390210.3	745205.1	2438405.1	560887.8	660873.6	238280.2	5284931.1	2140062.9	274868.1	782695.1	377517.6	1896112.7	1767435.1	99255.1	1565666.2	580633.9	673349.3	887607.1	927907.3	16210801.4	1357628.4	7793868	588463.4	3979861	269537.9	479544.2	568884.5	770567.1	965995.8	365032.6	913593.8	19713793.2	300368.2	256866.8	1087302.4	669296.9	149461.2	459316	855829.7	581559.4	0	2255077.4	2135636.1	3348265.3	5733442.1	1870373.2	3896195.2	2299661.3	1508354.7	1887496	2053371	5288662.6	1894179.5	1745944.8	2750259.6	2519790.6	1817472.9	2048004.8	3891702.6	2525526.3	1908210.7	2566957.3	2171635.8	1869260.1	2219145.1	2148083.8	2218598.3	3026399.4	1877492	2351489.7	2425629.8	1942501.9	4937246.4	2137938.5	1915936.9	2099988	2090597.4	2061250.6	1964354.4	2678174.3	2206224.7	3855855.5	3023705.8	3873004.5	1955669.2	1728269.2	13486162.9	2206906.8	1891980.3	2439904.2	1910652.2	2308011.4	3043268.6	2764397.8	2565013.2	43606040.3	2150538	1802850	2180763.8	2317168.6	2836789.9	2154788.2	2300597.8	2048939	2958010	1963263.8	2101047.2	2881829.3	2328393.3	2310424.5	1942932.8	3439469.1	2207876.3	2389550.1	2602276.3	2222544.8	2181929.2	2319272.7	2042165	2714075.2	1734655.8	2148667.2	2041801.5	2475532.1	2771267.6	2015790.8	1679631.9	2084845.9	2279209.1	2048944.3	2310449.2	2275108.5	3469233.3	0	13260131.8	1363291.2	4016315.7	4675295.5	1075248.3	6021667	6444551.8	3395215.1	6096896.7	805324.3	8729076.4	1144530.4	9314136.9	403591.8	1055130.1	2386795.9	838114.4	1081682.3	1124796.7	10045931.3	2489941.5	736023.3	3335563.6	1282951.9	27196187.3	474287.9	1327334.3	2044099.7	815906	393215.7	654951.2	8685797.2	6341122.1	572791.6	3153021.9	5710789.5	8583415.9	419295.6	677938	339216.8	193248.7	6164859	7885929	1230097	1399820.9	1613217.8	17094274.8	396399.8	1103203.4	7168717.9	1690465.6	777337.8	420146.1	13126344.4	989801	9897188.7	1535918.2	7494717	1570152.1	2169731.5	159877.9	571970.8	903181.5	564576.4	569777	308639.4	1091206.3	1598804	1769609.1	1199423.8	4481925.7	433877.3	1076739.1	36923.3	796872.2	1627608.1	2309045.9	605336.9	1462736.4	2117606.3	1219320.7	1616899.3	1044835.6	256451.4	821411	416271.6	447771.7	1012056.5	1418594.2	1463351.6	1864318.1	1513.3	4181721.3	1489514.5	3271466.6	3319808.6	1443647.7	4707337.1	2290489.6	2246116.7	1679351.6	15983484.4	3262498.1	1234310.8	5528060.1	1360930.8	2061690	1282483.4	1270457.2	6745970.5	1531187.2	1518059.4	982994.1	12262065.8	1521990.2	1597653.1	1427847	1747703.7	7994818.9	1618199.9	4546885.3	1377576.2	6469486.7	1699684.1	31893774.8	1512747.3	1079212.6	1377499.7	1896365.4	3040108.8	1990024.5	3879535	1602842.8	852005.2	1504459.6	2238063.9	1511771.5	1649571.8	1446849.6	1414737.8	6106264.6	1453988.8	2751852.4	3249366	1411183	3110221.5	1014754	1476277.5	1886552.1	1061499.4	1122579	1527478.2	1762199.7	4893909	922226	3101860.5	1307813.3	744866.4	1403674.4	1574339.5	1377834.1	1447295.5	2537949.8	3748526.4	1642096	1868592	1319328.1	1438745.4	3429288.1	2404111.9	945738.6	1919839.7	6795396.5	1320732.3	1248980.5	24350401.4	1564497.7	4584557.2	2462016.9	1108041.6	1491367.9	1627066.8	0	0	749391.9	3222537	2613190.8	984079.6	1306570.9	5604674.1	1071038	2159957.5	21214214.6	751191.4	6691870.1	3240711.9	1089037.4	10794365.9	825622.1	4479999.2	27719079.5	693845.4	5676581.8	386427.2	1063237	810425	1989578	3883369.4	804686.3	4106614.9	849732.9	986133.4	1352762.7	4132635.8	5957734.7	885139.5	1258650	2825434.1	2864184.2	1337312.1	673306.1	4984798.3	803391	771149.6	427984.6	956821.2	633433.4	4784610.7	4356696.9	1080565.2	2547306.3	459334.4	585420.9	4164323	1926636.1	912006.3	674814.7	631174.7	4089861.3	4708637.6	4181198.4	762325.9	9705654.1	820843.3	460055.6	8747649.9	6328287.7	857638.8	813063.4
Mevalonic acid	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	137010178.5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	134240668.8	0	0	0	0	0	0	0	484445765.6	0	0	0	0	212958678.3	0	0	0	0	0	20874336.8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5578061.5	10749682.2	5202326.7	3280050.2	18023303.2	0	7753592.8	4578884.8	5675881	0	6235896.7	4064156	0	3734368.4	0	4915915.3	11782505.2	0	15308021.7	0	0	5351383.6	7895090.6	5470884.2	0	3760175.9	0	0	0	0	0	7827921.2	0	3174098.2	6908975.7	8805858.8	30135402.9	7703245.1	0	0	6105449.2	0	5862131.4	23859559.9	7310347.3	5179000.7	0	5198642.4	0	2509017.3	0	0	8887343.4	0	0	8125069.7	0	3847826.3	0	3721748.6	18844448.7	0	19694431.5	0	0	0	0	10236483.7	0	11426372.9	6001984.2	8422047.5	3520217.9	12359281	5397602.1	6267808.4	10938190.2	0	0	0	8169184.4	4099755	3181433.4	5332032.8	5520901.7	0	5887024.1	5900645.4	0	0	0	11005326.1	0	561227.2	0	0	0	5781018.5	78716277.8	32416801.9	9395032.8	8554826.4	2550014.1	0	8012121	7857445.2	0	4385745.8	0	0	1434376.7	136553.4	7446113.2	8312122.8	2504031.1	0	1676340.1	14521302.2	0	0	5137295.6	11227156.9	0	11452695.5	4704353.6	5815312.7	10264556.6	9414968.2	5148740.1	9458177.3	4922306.8	0	10639560.7	2533557	3966630.8	11595258.3	0	547339.2	11262787.7	16816192.3	2278503.3	7323679.8	3258441	13480142.3	0	22753778.1	8373190.4	26818743.8	0	2942506.7	72018.3	0	579890.6	0	3199849.2	0	0	0	14369195.6	0	3254351.9	0	0	0	0	5552612.5	5404203.4	0	1134939	0	2933415.7	0	1575556.1	2277698.4	0	15172951.9	6530286.5	1851375.3	13894553.8	14198511.8	508230.1	0	0	3534745.3	0	0	9809027.3	0	0	0	0	0	0	0	0	0	0	0	4709425.4	5622316.5	0	0	0	0	0	0	0	0	0	8051810.3	0	0	0	3663983.1	0	0	0	335039076.1	0	0	11511267	0	0	2846219.6	0	1927179	0	0	0	0	0	0	0	0	0	0	0	0	0	33723662.3	0	0	0	0	0	0	5620996.7	0	0	0	0	2243661.1	0	0	6128535.4	5122580.6	10377108.9	0	0	0	939538.4	0	0	0	0	1483489.9	6319384.5	6660999.3	0	0	0	0	6435964.1	0	6091063.1	0	1168755.2	0	1583696	0	1408227.8	0	1690372.3	1061636.2	1551094	0	2677166	1470965.5	469015367.2	0	1667494	1869809	0	0	1859891.2	0	0	1825718.1	0	1052674.8	806621.4	1655309.5	1804222.8	1545364.1	0	1556647.3	0	1322399.3	0	0	951089.2	1427884.6	0	839872.4	0	2343910.3	0	1883673.1	0	1741532.5	1777336.2	392003.3	0	0	0	0	1934419.7	0	0	0	0	0	0	0	0	1307639.9	2226353.6	0	0	0	0	0	1891212.6	2381040.4	0	0	1684020.9	0	1755201.7	1718374.3	2987270.5	0	0	1507402.2	823931.1	1501096.6	0	0	1251294.9	0	0	81208490.5	0	0	1258677.7	1952154.5	1387591	2120100	0	4875670.3	0	0	0	0	0	0	3439113.8	0	120713090.4	0	3738506.9	0	8669332.3	7442774.8	0	0	5484736.2	7365672	0	9945715.9	13234707	0	0	9677028	0	0	9466092.8	0	0	0	10182610.3	11866201.3	8727376.4	0	6382822.7	4324946.1	7669885.7	0	14432106.1	0	5901020.4	0	0	0	0	8995428.8	0	0	0	2352920.3	9626383.6	6605937.7	0	3954045.6	0	0	5637639.7	10836055.5	5207408.7	13283457.3	0	3137426.6	13448410.5	16065279	0
Hydrocinnamic acid	0	1922306.7	3610486.2	3070740.3	2737416.1	0	1940472.3	2552290.8	2945286.5	1476550.5	3689064.1	4424463.4	0	3752251.3	2392848.5	1936444.1	0	0	1806684.3	3086093.6	3849248.4	3869151.4	1973998.9	2065697.9	4072907.5	2906522.2	3101319.1	2149023.9	2440352.6	1329314.1	2883371.5	0	5212287	2579323.1	3011735.7	2673779.2	0	2285753.2	3583858.4	4345475.4	2190521.1	3026899.4	2807759.1	2533014	2539208.4	2205534.9	2226829.1	1469750.8	0	2244086.3	3962741	3464868.1	2865937.9	2631422.2	3018290.6	2426342	1869086.5	0	0	4497435.6	3522793.4	2374040.2	0	1893788.3	2248198.3	3655568.3	1721110.4	2795978.6	1958350.2	3006417.6	2600886.4	2788794.2	3223750	4837474.5	1962417	2473706.2	1605895.8	3515348.8	3526035.6	2152840.5	2860399.4	2782158.8	2385547.2	0	6410870.5	0	2525748	3321707.3	0	2294446.9	0	3498818.1	0	2433914.5	3530744.3	3301956.4	2299652.8	2308494	1859108.8	4038847.4	2670336.3	1747986.1	1976008.5	0	0	3022996.1	0	2235181.2	3395352.4	3086170.9	2609126.4	3204354.7	1794131.3	0	2804696.7	0	3067628.6	0	3529096.1	3827861	0	2549246.4	2207367.4	2610505	3000808.9	2977296	0	0	0	3571445.5	2320983.5	2009228.2	2497538	0	1752780.2	0	3171235.2	1844374.3	3206185.5	3027079.7	2680191.3	2442271.6	2856269	0	2199688.3	2653962.1	1999158.7	2883172.6	3254422.7	2051013.8	0	3280605.3	3109268.2	2478436.2	0	3143746.6	1898884.4	1920811.9	1590584.8	3309260.9	3676581	2952963.3	3661301.8	8268992.6	2702806	3120709.3	3355830.1	0	2881547.8	2107992.6	3213006	0	3407885.6	3146136.2	0	5014571.8	4769979.8	3561236.4	2626266.1	2891681.5	3149977.9	0	2810180.9	2714374.8	3627925.7	3480208.4	5182476.1	3155022.5	2544265.8	2287280.7	2339148.3	4453014.2	2014763.6	2667299.9	2427011.3	2938911.2	2872439.2	0	3373599.4	1805053.9	1808028.8	3585749.5	3154484.5	2861874.2	1969156.1	2065318.5	3136370.7	2024064.2	0	3548221.8	2625067.4	3258470.3	0	2016155.6	2282049.3	2056708.7	2921054.9	1665203.7	1409180.8	2464909.1	4665419.5	2608034.1	0	3615193.9	2844414.5	2775638.9	1176529.4	2870810.4	4049677.4	1630444.1	4516202.1	1244959	2921392.9	3280845.3	0	2300901.1	2421397.1	2370807.7	0	0	2269466.9	1106913.5	2851959.8	2647228.5	3826214	4188564.3	3905638.5	2291808.5	2640866.1	0	5641248.6	3160941.2	1885346.3	2558554	2428134.3	3619186.1	2328848.8	3436936.7	3377785.9	2580989.9	2788277.6	3337509.8	4107599.5	0	2099874.7	1409011.8	2649467.8	1910086.9	3725157.1	3151646.4	3342892.9	3268380.2	4854922.2	2181870.6	2960796.5	3343759.6	2227304.6	2957694.9	0	3028872.5	2220885.7	2180160.7	2076322.1	4160198.6	2034413.9	3167422.9	3063456.4	3197303.8	1889373.5	2142619.7	3103190	3145463	2891294.4	2225209.9	2535956.4	0	2072335.6	1049873.9	1590490.5	2493212.7	3612906.3	2435313.7	2862980.5	1522618.9	1337538.1	2439625	0	2378132.2	1819356.3	2989917.3	3874210.3	3153618.8	5887789.8	2970781.6	3349513.6	3030170.6	2530872.6	2322801.6	0	2176426.1	2448509.3	4096695.2	3079935.8	3767349.6	5234500.2	0	4704283	2751825.5	2079539	2479776.3	1793977.5	2588516.8	2532859.4	2215928.9	1467594	3294254.9	2114757.5	3112089.3	5050417.8	2995528.8	3079596	3792461.6	2480227	4465333.6	2766343.2	3387145.5	1603956.9	1808628.1	4004746.9	0	3488668.7	0	3253599.9	0	3442974.9	1828058.7	0	0	0	2812204.9	4679895.6	0	2283528.7	2800944.1	0	2290462.3	3127893.2	3263458.6	3484215.9	0	4021809.9	3194836.3	2215234.4	3318357.6	3861034.3	3787854.3	2866846	3763468.1	2729580.9	1111930.2	4192506.7	3286454.3	1772545.7	0	4253376.6	994702.5	2224783.6	1644915.9	3027326.7	2038391.9	3189380.3	4750663.1	1577968.8	2585576.9	3960054.3	2698841.7	2850870.2	2127099.7	3385474.3	708577.2	2125891.4	1662169.6	2112309.6	3201767.6	3014520.6	1705341.7	3525216.8	2851534.5	2708540.2	4235314.4	2798326	2105283.4	2740783.9	3582366.7	2308651.6	0	4263185.2	1820350	2561999.3	4208629.2	3680717.3	0	2532354.5	2087184.5	3382607.1	1873338.4	4092574.4	2509165.3	2194059.5	1149804.5	4355747.2	2722925.4	2667223	1508339.2	3085414.2	0	4785652.5	3144998.6	2415939.1	4141692.2	2836504	2974170.1	3294569.9	2236619.2	3350882.2	0	2124562.8	1918269.2	3120359.3	3465251.6	0	2769344.3	2919825.4	3030412.8	0	0	1952746.2	2559409.2	4170943.5	2813497	3113153.3	3636498	0	1581466.2	3616019.4	3031130.8	1714864.3	2621220.8	3081267.8	3924074.5	3652263.5	3069582.4	4856249.2	2843190.9	1639944	0	2664700.4	3757325.5	2540341	1837423.6	0	2876971.1	2393096.4	2018215.1	2508578.8	3265310.4	4040068.8	3050740.8	4207248.3	3382437.6	1519822.2	2756510.3	2706712.4	602941.8	2722966.7	0	3313912.7	2674179.5	4024174.5	3604386.8	2483232.9	2161499.6	2927843.6	2727453.1	1958327	0	0	2833944.1	0	3198673.6	3139251.2	2116816.7	1956524.8	919616.2	1802119.6	5504809.7	2663913.2	2736573.3	0	0	3806681.9	3599287.2	3873246.1	2503253.5	0	0	2652123.2
Dihydroxybenzoate	0	0	112711854.8	109163124.2	100985184.2	43376335.5	191229866.8	258975059.2	41415851	152212861.6	44009963.9	54056473	92711663.2	290809989.4	134481057.3	244284299.7	188207999.7	112354997.5	260637892.5	39500238.7	174579704.5	131049783.2	91924391.2	108785975.1	124466200.4	104032822.3	223209018.5	143020048.2	168393956.9	153334356.4	280953313.4	72283586.4	234076041.8	220562797.2	138333800.1	85550405.3	31927655	246905993.7	528536364.2	83787246	177959859.3	356789427.5	290332997.7	185486521.2	50058685.3	43599318	115816617.1	113178556.7	109055472.9	58989359.4	38651349.7	170801911.1	84172726.6	115086079.7	77211342.1	141344385.7	26504658.2	80395284.4	33199789.1	164336476	188165684.2	114255279.4	122476496.8	276783629.1	122374026.9	170428560	81860033.3	71974447.2	108411474.3	107204543.6	130474803.3	60831774.2	325667558.1	46410553.3	116458621.5	54016387.8	57212540	236175560.3	61927328.6	423226344.6	94182777.9	19937621.2	105482859.1	80938243.6	168095698.6	240513202.3	53087005.9	231096512.5	36187675.9	47318502.5	116970726	116099538.8	16729182.4	14940741.8	102826269.3	93710239.9	173624983.8	190851818.8	200209606.5	89070235.4	122379959.7	152081716.6	72171600.2	67779000.6	94695628.3	78940705.2	512980043.2	254256267.1	34428703.5	255179981.9	163657135.8	182315782.3	189267858.1	82206262.8	32930902.2	80435272.6	114269643.1	88063214.3	54684849.6	364921087.9	106959779.2	76154315.2	89378358.9	49975306.7	70063989.5	180026437	225782907.6	50103831.5	111225061.6	109962675.5	101307011.9	66874012.4	202807357.3	92621058.7	82615218	50860254.2	71234307.1	143563927.1	103046615.5	72516676.1	128713170.9	141341532.9	238033138.8	197383023.8	103288598.2	323262025.3	327295635.5	107260231.8	151853399.2	173732632.1	58754983	95208714.1	92719644.5	40498094.1	148171194.5	59725265	330169160.9	61052070.6	103411060.9	120344081.4	105076943.5	107321190.3	50990697.3	47101206.3	100508036	81226179.4	518897859.7	261363597.6	35659841.3	240979264.4	163266280.9	180409819.6	212171779.5	83748613.3	33605387.4	81609863.3	132392716.8	272972544	55705764	120149434.1	251575670.5	102261747.1	114802174.4	110371043.8	1424321.2	759932.7	102645302.4	103986788.8	88289783.9	119833317.4	127088070.2	95872987	39677521	116936397.8	118005249.7	67922592.1	130764396.8	328012765.6	156026407.8	53847082.2	38145919.7	283446892.2	135377783.1	132533875.4	261104247.9	92480535.3	103060377.9	46968084.6	103030949.6	102633535.2	95936547.3	288145895.9	137168643.2	27621398.8	53365354.1	193164123.4	160343465.4	67494052.2	144390139.6	239569278.5	85178434.6	336118347.2	616368995.6	93517122.3	105516102.2	56798013.5	153741006.2	124862727.8	90617308.5	136981018	106881453.5	98689108.7	246636521.2	279716623.4	96873711.9	350944563.3	255326692.2	67581067.3	180108527.1	254548919.4	147067104.3	175958335.8	42879613.1	95420930.2	73192919.9	93276349.1	59380139.9	37580655.8	86585007.8	38807952.8	125805509	178341676	106951177.2	103688057.3	65117270.6	407843218.7	240101307.9	65867954.9	112946684.8	124292827	26865269.6	217775167.2	267455459.5	196761282.7	120677572.9	122676408	177038811.5	142847078.8	165461407.3	70153431.4	88947941.6	106641478.2	150768096.3	48796983.2	118858990.7	86067159.4	0	0	107007918.2	110694120.8	108228765.3	147308954.9	294106700.5	91636160.6	107269311.8	159274310	106942411.7	64600863.6	116044000.5	206973735.4	45088311.1	264323476.8	53884941.5	106804103.1	69634999.9	119306590.5	141894138.3	255547375	67390469	47153467.7	86062402.6	113418719.7	288113459.7	184767802.9	102970507.2	171498280.1	146780660.6	88636231.7	180447846.9	17156089.7	149834382.7	59510026.2	275847541.2	109575747.7	84929256	113952419.1	48307990.7	230100314.7	71484895.4	61582009.7	61080279.3	87649915.3	114272260.8	118151998	443829142.2	231121160.1	64215131.6	78384406.2	86211393.9	239295971	219395821.1	55827856.6	156486963.6	104777817.3	72130438.3	180717044.6	134235158.3	59627199.6	506206222.4	140755550.9	271462180.8	255506125.6	92413606.9	66496148.2	120405822.3	103142528.4	116918252.7	191046803.1	67665891.4	216193895.7	54503344.2	187769132	46228802	444968897.2	76985064.4	296451056	61595450.4	102796345.5	52842538.1	95366972.8	49896938.4	74095315.8	54625129.1	102352434.9	326352097.8	99759683	122240897.7	115905643	0	0	99222859.2	97912420.5	83622130.2	32375709.8	174932185.3	250708233.2	161301434.5	76350404.1	182413606	20066192.7	137080764.7	548791138.1	137082150	149114900.7	222704759.3	173685028	288579443.5	40976600.7	162535787.4	169473380.4	439085469.4	118350689.2	103673665.7	101704698.3	44921917.7	246094152.6	19228173.5	169184876.2	169392690.2	297026314.8	180434022.2	56014517.1	129212705.3	80223248.1	216621461.8	44237347.7	140401443	137665654.6	175017519.5	96146713.5	44988125.8	45037028.7	291139534	52563688.6	100119717.7	95432393	89439274.6	120602401.6	34095998	123754163.2	58418992.7	85873701.5	277820676.8	39082117.6	71646542.2	234512916.3	99942547.3	210114369.7	186398964.1	215837234	118152202.7	82124496.3	132454625.7	125586943.1	142824697.5	116000348.1	100501575.5	98546897.2	218506120.1	62168687	230647097.1	286434788.2	61709132.9	17485576.7	84133057.3	47827344.3	134577944.6	302724837.8	55515092.3	91471076.9	77681387.5	95517132.5	154395764.9	203886517.2	71181006.6	20436601.9	368834794.9	175669804.9	101808302.9	105300907.9	15817763.8	15131508.6	110954523.2	90424344.2	173939469	65022813.6	88061701.4	476663927.4	230572853.7	153923198.3	279185425.6	95882662.5	228277114.7	246735311.4	400310948.7	105623551.2	60554322.7	98966016	67139888.8	50424699.8	71961926.6	74279929	74060501.3	51972233.4	78285312.1	114806017.5	122667721.4	149044087.5	240362703.2	341632087.4	151625662.2	166674666.8	207265242.6	116238762.8	54702629.8	111478502.9	123299316.4	301244551	205603035	55593344.7	227153363.5	68626366.2	57607341.7	150401306.4	79457495.2	120439507.5	113309039.2	109252755.2	32745956.8	87675210.4	21777055.4	92614326.7	121254285.8	81872610.2	49286454.3	176377919.4	401354211.4	90909043.6	50809881.2	65483983.2	90150954.9	137681243.8	194182139.6	99568074.1	256453436.1	112239262.4	108363534.2
Histidine	30506331.7	30956524.4	13853250.8	14480726.3	14718651.8	23543074.8	27871176.6	15560556.9	18428677.4	21728414.1	17927830	16175998.1	19701451.5	24025789.2	14449666.7	11921040.8	26609929.6	14100653.8	20213964.9	19859193.6	16614974.6	16548873.1	13773874.1	15179054.7	13490784.2	11710288.7	16145220.2	15159971.1	14676737	27374939.7	11913796.4	14069037	14348356.4	15916914.4	4535580.6	21129403.8	15948452	37250047.6	13168931.2	30740316.6	8578007.6	13810531.4	14226694.5	18697258.5	14607600.8	16401468.6	14628586.9	14916158.9	11368833.3	23033000.3	33250426.6	13205330.7	17522665	19902046.6	26308209	16070025.1	22301956.1	3964734.1	23117034.4	20402887.7	10792823.3	19008540.3	10061877.2	10675654.9	13358642.9	1391186.9	10643397.3	22932723.1	13839338	14986834.3	8877554.5	15599337.8	16213525.7	20506724.4	15562013.7	17851920.1	0	17784055	17241560	20370549.7	50943906	12735629.6	17625551.1	16284553.9	17074038.7	9213200.4	15525754	24218174.5	17243572	14418040.4	15927182	16224657.4	27756919.5	26869740.5	25678140.5	31150857.9	24833862	19901667.8	11062565.9	14364496.9	13503901.8	18247842.7	10952158.8	37362313.9	15994311.8	30515896.8	14083312.8	21828586.8	11414546.8	10666652.3	12694863.1	20588270.6	16103905.8	15480746.8	27656108	17705285.6	12824110.5	23864504.9	10266695.8	13940398.3	9932015.3	10063833	13935114.6	14408026	11324645	15982143.3	27294812.5	44773680.8	8961160.5	31482869	17423201.3	10828057.9	8067552	10096884.5	13294758.6	16507592.3	21651128.4	20981223.3	17188024.2	26692102.7	12122712.9	9587596.9	15762833.7	19296231.6	12116190.2	13684585.8	8914678.3	13248584.2	14109764.8	16446746.4	16320439.1	35935731.7	9133365.4	14567698.6	12253796	16585226.5	14263916.5	8643051.9	19445765.3	16621744	13492325.7	15233296	23252661.6	31201562.4	16019616.2	27115367.6	15814547.8	21960514	11423885.5	11205493.3	12271087.8	18999231.8	15569853.6	16202122.9	28427292.8	16747082.1	10431508.1	15667692.2	10130543.7	23956856.3	14453241.7	12545545.8	13936967.5	12685869.3	40430164.5	40348087.7	12586388.2	13042559.7	15874006.9	16084790.8	15516565.5	8645437	6659716.9	15369578.6	13293498.9	8503685.2	13598432.1	11933505.9	22648715.2	16330431.6	8290607.4	18606554.4	8214039	23971061.1	16259945.4	14457078.8	7116398.9	14400875.7	12753287.4	12851931.2	13162797	22327081.3	16375593.4	19809044.2	22391462.2	9540875	15841185.1	21239314.7	14479621.6	8502771.9	21606514.6	22125713.5	15609670.6	16211934.5	12452476.2	13054967.3	13506724.9	7917249	19162482.9	13838036.6	12697348.9	13969602.8	14899943.8	12507823.5	14010890	24266750.8	23217909.9	17802709.9	27064031.5	40922997.9	10297636.3	9838386.9	18577336.8	17099049.5	17148577.8	9997115.6	25380155.2	21231646.1	34190738.9	9443768.7	27635935.8	30659006.8	14633461.7	16827044.6	19331712	9671650.3	16783952.4	10858277.8	22248375.7	25844298.8	20387954.1	17018044.2	21055481.8	14664449.7	13241762.9	20536513	18841441.5	27508416.7	13314274.1	12353497.3	11278745.3	17758618.2	23566464.5	15727481.7	12753690.1	14748990.2	25764022	31625506.1	28335694.5	13360165.3	17896565.3	22985105.6	11630185.8	14263701	9160014.7	17988822.9	11146636.6	8774755.9	17034806.1	15073652.5	31087277.8	7853343.7	14432277.5	15215932.8	13128440.2	12757516.5	13941742.4	23533405.6	35705327	12275440.3	34649081.6	13785030.4	25789820.8	13485519.7	18193773.8	15239368	14834793.8	10790044.2	14800708.4	7323029.9	13545315.1	13323786.9	26221350.7	3793851.6	19122228.2	15086491.2	12616072	8862404	9909328.6	9032330.7	17235852.7	17809641.9	16160679.6	13492268.1	20368087.9	16230668.1	12293850.8	9646824.4	22213437.7	17855066.9	8561724.7	7944507	21793230.4	18132300.5	25639810.2	13072742.5	27872658.2	22485399.8	9514268.5	12369993.5	21589145.2	11444025.4	14971342.9	14674355.1	15417681.9	23759283.4	27830915.6	34362416.1	30091803.1	13735439.9	14322699.8	8136283.7	1436768.2	15373872.2	17800690.7	9511557.6	18312686.7	31805222.4	19788310.2	21053469.7	12737983	11801021.3	17515853.3	21602905.8	17111875.9	16058610.3	22497724	15113765.5	36697057.2	34723997.9	10844675	11398921.9	10621909.9	21069250.3	18445247.9	14170067.3	22478450.9	6379408.9	13729841.8	22301855.2	3358448.3	18065036.6	16646818	22135084.8	18035270.6	12151784.4	15737529.6	16267130.5	19518972.8	15598759.4	18577824.8	28894679	13036379.6	13971842.3	12779257.9	17668940	9422561.3	17431820.6	11819054.9	18798572.2	20149388.4	19888732.1	45959489.1	4403370.3	10026198.7	15097496.4	19749475.3	11907641.8	11840053.2	12995487.7	19777279.4	10769322	19141939.8	13684923	14590070.1	12979244.5	13099619.4	20975428.9	23603798.7	11595223.7	12742362.7	14559823.3	15227354.4	9163994.2	15499716.2	16829741.5	36784985.8	10071315	13126679.4	15641859.4	17855851.6	14666729.7	19227427.1	26708256.1	15180996.1	10336971.2	15055335.1	15010227.4	16068636.4	21399686	32729372.1	13052206.4	13102821.9	13757538.6	15416318.1	19830356.3	17197507.4	10582746.6	18877479.9	20638425	20002397	16566032.9	16625333.1	24593235.4	17222353.7	7684018.3	37961515.9	16565208.7	17022103.8	15042067	22790844.8	21315728.3	11694912.6	23305274.8	15296946.9	18286215.5	22566027.4	12976272.6	17538629.8	9249032	13853054.1	16481186	28001120.3	12058961.2	13374143.3	25262906.2	13238857.6	16565404	64336747.9	13555538	21702012.8	14649798.1	11732926.3	17983117.9	25710366.9	13872318.6	14912894.6	13555886.2	19738099.1	17456137.5	15298477.2	11832611.1	16251597.3	13026912.9	13992751.7	21475895.3	28034169.2	16226035	13038327.7	25970662.2	16318989	16512605.1	11751075	16254714	14796271.6	13113705.2	13173957.9	16075962.9	20064155	13741679.8	13988769.6	12346986.1	14888643.6	16013254.6	16513150.6	17293847.7	17960828.2	10334540.6	13259531.1	14116075.1	21733104.7	13621693.9	14822226.1	28071378.2	18633009.9	14258613	13412264.7
FA 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Glucose	0	0	855378380.1	995973432.2	933302341.5	0	943969107.1	875771239.6	834872530.5	994976990	1191749393	887654727.1	1296917453	883394031.9	1726865351	1155382507	2048407592	1156020333	1442879298	1345099752	1259928388	1313448869	1028318051	1216488233	1123280375	933510461.2	1234860572	1212839444	2008175941	1114671466	1077849727	876980979.5	2354678836	2231736558	1052687069	874746579	1973746140	1061727660	1761474029	1943882528	600554148.7	1157018672	982890588.6	1736735649	1024782341	1518572918	1238461301	1300164524	1340894221	1451107300	1184972319	1771880073	1080749738	1185540924	1147487138	1121336706	1105171373	866241906.5	1061130990	1390679712	941335243.2	0	822706809.5	1195724829	788111448.4	1257440766	1078005336	784866555.7	1690655943	1184304131	1097626342	1355040026	1410390917	980030289.6	1168059223	966337657.1	779459913.5	1080710734	2195338158	1377062348	2294078851	2142743003	893263948.8	1779763004	1065009305	827398762.4	1076952180	921721074.8	838036775.5	504245655.3	1266994403	1331933217	0	285229512.6	1646714475	2737195499	1697178011	1443847465	1064986463	911257246.3	876331637	1624743486	1185242896	0	805358303.2	632531060.4	935557768.3	1433525991	712490467.4	972697388.4	1005453621	1112806436	971310349.5	1130961549	1422314769	3352414892	815487801.1	1862389427	808774194.1	834933865.4	1057735988	811654465.8	1015311584	951125679.5	978952763.8	1210186016	1903029999	2415227665	767033292.2	1477672511	972541388.9	892131711.1	688758105.2	778619970.4	869175276.1	864488050.6	936490011.9	1279533031	1673287436	2410488105	784394007.6	854260277.6	443479138.7	986439793.4	754087627.8	889918542.2	868800041.5	868296819.6	914107608.4	1053734301	1338679852	2508794750	786332940.6	861541532.9	902488786.6	1059968505	895945842.9	801573107	912381344.8	869011352.9	999468429.6	1127928549	1262557175	3645771315	799524335.1	2630679133	928916486.2	1346154204	702514716.7	860389632.6	902590337.7	928382826.8	949701386.1	1074294429	1465522071	4394684285	853256990.1	820477544.1	849200819.5	1262995223	813047756.3	792597296.1	1018960815	861237429.7	0	0	1031757746	1344777125	674717309.6	1187556229	869788292	877089661.4	615693585.5	1061802316	851797424	1183012830	0	1370906318	1178922014	1267542640	687342793.5	1213037120	1560222948	1565721566	932599831.5	756177660.3	371066416.7	889856473.9	1006629213	1107757595	801996309.8	614095127.4	1380684078	1274395650	1154223180	834072466	1203748662	968779757.4	826723637.9	794099081.7	736251943.8	1329373216	1339892331	804335339.4	990295443.3	1705576110	1462358790	1403025880	1394392680	1126627955	1609920211	1139571088	1099848319	818197268.8	1419217686	1181925217	1231222455	855438616.9	1617024991	390851555	1351242812	1672520896	1383802308	1548955434	1067466896	1211073350	1328748744	1312305922	1475919187	1092857729	1248999761	1653831662	1269577447	1392391683	1878500025	1082693349	1093586167	1116110984	913666799.2	1687972587	575031278.9	1167929259	1317563034	1583451313	1093308143	1085042360	1266906622	1670934471	877884408.3	996196637.3	0	749759417	1214256201	1059506417	1506283705	1428412653	0	0	2806628821	768028677.6	831139775.7	773737260.6	843612533.5	891730418.1	1083068970	1057380309	993783149.5	913764616.5	3445246230	837933904.6	2344730636	884649774.2	817968996.4	658596531.7	866316981.3	643072500.2	955270313.4	966861673.6	1287849974	1027200728	4384868609	939361332.1	2187937347	975831595.9	870057075.7	932028900.3	814659664.1	799208957.4	1128707751	932205061.7	1386845045	869340992.7	3114349765	591755751.8	863918261.8	821466857.3	815653322.1	803728214	853780336.8	851180067.3	807071655.7	1109523489	1231869054	1129896621	2368184678	892377387.2	928563499.3	711087783.4	971131644.4	784913093	879585525.4	848568817	1140762173	0	1275358097	1226875832	1245204298	829137751.8	815701969.7	828851224.9	839756873.7	837631160.3	847943803.6	801302838.3	1104681657	2083935428	1434779144	1440947988	1904155237	982655005.3	972625854.4	560568328.6	783674963.7	845220822.9	1031806629	1027817447	1217340991	2506952146	1375575562	1700399027	990390479.2	851692104	841227049.1	803060135.9	802579619.8	811766305.3	1756884129	1017171092	0	0	1038427338	1094394864	575171430	973286218.3	1163798999	1214667345	1175656010	1207453593	1289383292	773649249.8	915400835.3	1223392608	1095188701	1109741696	0	1375832317	1489291523	1189975953	1418905670	1180922118	1043165893	905469588.5	1105933285	1216386557	1320783849	782589995.9	365269251.8	1090132466	1379816840	1143246185	1304334373	1333134514	107881111.8	1000447243	1057653200	1206855870	1189639677	952605122.6	1338305289	1165859214	0	1326502302	1211035989	1261097956	1380796850	1321641765	1268397702	1203933790	0	1427446025	0	1417591834	1469291433	1382383934	1489248388	1533695024	1569826958	1407733818	1360802393	1439271786	1273694957	1279120494	1853832260	1995761595	1058092555	994330096.9	1462944647	1647463884	1695625298	1369559762	1109368239	1627469921	1104037392	1477149125	1112724641	1496493104	0	1404972507	1720897752	1576518065	1640320965	1624251698	1228524791	807225499.8	1498799877	0	1469971951	1238795173	1619906793	1652444298	312832974.4	341333435.6	784454477.3	2764619936	987543963	1281839985	1033559868	668571759.1	1131455735	718227399.2	873751308	1295221549	615197299.7	920162266.5	898547124.4	1859006288	1059738861	1111311776	790736626.7	836364417.9	982874618.6	880262393	951033681.9	1198242134	3668094212	874447012.4	896896567.2	0	1055709118	1046325532	1041045382	927214430.2	1079506473	777207635.4	1029681729	1121156393	1688678721	709066670	860298027.6	2268514131	1082070937	975328320.7	884853005	896242600.6	1058699403	835804003.5	891802230.9	1365236035	1401919136	785998977.3	904998401.1	2344359614	807296268.9	1124033427	989058960.6	894565587.8	1066398235	738188846.3	950732606.2	1234117178	4303578181	818874564.5	744612966	2519292748	1188286330	1106631182	1214949009
Coumarate	0	1015934.7	4851111.3	3304195.3	2673335.5	3846434.2	3537370.4	4581422.3	4064603.7	0	5808581.9	2595252.3	952360.6	2433996.2	3610620.8	0	967467	5343149.9	0	3844274.3	1402847.9	4728524.8	2519264	2887656.9	0	0	6168873.3	0	0	2891665.5	1578510.8	1715278.7	0	4643717.4	14285245	4954736.4	2704842.5	885922.8	2403027	1334351.3	2614274.7	909098.9	2669050.4	0	5025037.5	0	6573672.3	1628778.8	0	1896659.2	5984803.4	3033787.3	3268313.3	1764251	4879601.2	2068393.7	3389163.1	24132110.4	0	4521902.4	729283.6	0	0	4912279.5	864742.1	73611910.4	0	6089533.2	3404341.4	1397527.1	10243339.5	2734001.7	6094032.7	0	0	7075968	2487119.6	3414131.2	5356521	3100016.2	4371793.9	2869173.9	4981922.4	5156651.9	0	1967282.4	3818231.9	2195819.8	2163989.2	1870634.7	2844489.3	6302922.7	0	3794561	4351975.8	4889255.4	0	5358569.7	6906732.4	0	733696.2	370599.4	4102336.9	0	0	0	0	0	0	7024408.4	1841388.5	2241448.6	7070087.7	3567048.5	37306.4	0	0	7082398.1	0	2726599	0	0	3365423.8	0	5597049.6	0	8545350.2	0	22221103.1	9152662.3	3742638.1	6785513.5	3921272.2	0	3074544.7	19377920.1	4778169.2	0	4291668.3	11335306.5	3746819.3	651701.9	5931081.6	4712025.7	191940.8	0	3484069.6	4812230.4	0	965441.5	18082008.6	5228499.8	36580053.9	3378416.8	0	0	5654018	6449856.2	5520424.8	8057535.8	0	2473817.5	57429.4	0	4205586.1	0	7707775.7	0	2359932.3	4129336.9	7735102.2	0	1935911.8	1212905	5030199.4	0	1171186	2076347.6	8970460.8	7443.7	4165320.5	6584600.8	1208333.4	0	3873253.8	0	3569652.4	0	4279796.1	0	41404726.6	25992767.4	2137306	2037207.5	1607267.4	2113774.7	3346180.4	2504284.1	3358484	2690400.8	3037448	3685962	1774190	3010018.7	0	2077982.8	2095927.6	0	1945886.4	2934332	2318261.2	6074182.7	1984529.5	0	3428913.1	3020247.8	4071416.2	2041381.4	4236005.7	3041244.5	3649210.6	3330964.8	3239474.2	3150027.5	3259480.9	2972994.6	3906092.3	2026733	3769994	2668299.4	3353756.9	2810382.6	4515688.2	3492159.4	0	2262773.5	2905890.1	6061492.3	2814194	70910600.9	4419857.3	2329228.8	3614910.2	3029119.8	3062689.7	4640319.7	3508971.2	4719316.1	4555600.1	3583583.6	1740681.9	2970202.9	0	3363636.8	3021037	4667619.4	3948532.6	4674687.3	1176691.4	1920788.6	2479736.3	0	2199517.8	2358989.6	3464219.8	2387451.9	2285964.2	3457847.3	1832476.4	2773348.4	1825855.4	0	2078350.8	2145465.4	0	3388308.9	1228689.2	3235891	2391808.4	2312340.8	4086021.6	2180427.8	4792201.8	0	1655198	0	0	3536678.6	7616696.9	5053626.7	0	4515528.3	4201386.5	2209569.1	3839381.2	4004556.5	4160967	5447426.5	1674223.4	3366536.4	0	4524457.5	0	2953254.3	0	1116457.9	2901416.1	0	2953532.2	22584803.1	1662967.4	0	4786260.8	912212.4	3260010.8	0	2732624.9	4838852.6	2552723.9	0	3018981.2	3366051.7	0	0	0	2772749.4	1755013.4	0	1727131.5	3843221.7	3948500.1	7377397.6	2103761.1	3139354.6	2341127.5	1805898.7	5346694	3387431.1	4822022.4	0	4286819.7	3449525	2932174.1	5415728.5	2871786.7	0	2360110.5	3020950.9	77984754.7	2463067.7	4029333.5	2170193.3	9159231.9	3518293.1	4442403.1	3450287.5	3618988.8	1595256.9	2960332.2	2910359.9	3801139.8	3377988.6	3155126.3	2318007.3	3285133.4	0	4036427.8	3176884.9	3337241	3572953.8	3894832.1	2705887.5	3465094.5	3573709.6	2954489.9	2947273.6	3331632.1	3413352.5	4043487.4	2660827.9	23531924.4	2851242.6	1999533.8	2118431.5	4379320.6	1229302.6	2233341.8	4042603.2	3759673.3	3265827.8	2999639.3	53776342.3	2454848	1220330.9	2975375.3	3796196	3605944.9	0	0	2097859.3	3418192.5	0	4096300.1	0	2469653.8	4300101.5	3437404.5	1650753.9	3032749.1	2753754.7	0	2701009.8	2389576	0	1757026.9	2860967.4	3387409.8	2630856.5	3340200.7	2271706.8	0	1787020.3	2101910.9	2384487.1	2379510.8	3673149.9	0	2943255.4	2914247.3	2629855.2	3252141.1	3641997.7	3658661.7	3611498.4	0	2104516.1	2888338.1	0	3565261.5	1998323.2	4479407.5	2571429.2	5637662.6	2731852.2	4076844.4	4983195.2	1776283.8	2768506	3636772.4	3931462.1	0	2072605.5	3842282.4	61972068.1	2681842.7	2785880.9	3785866.8	0	5017258.7	4033108.9	0	1783296.3	2893578.8	3613594.5	1641494.1	2114132.4	0	1773603.4	3330598.7	4863966.7	18361377.4	2819346.3	5659929.9	1955581.9	6064773	3140928.7	450286.4	4058901.4	61533094.5	2137713.1	4400230	611918.4	3841203	0	0	3726846.8	2899104.3	0	4238415.4	2664979.8	5909387.3	1338491.9	1930904.5	2040832	3369497.9	0	0	9409709.9	4706795.7	0	2158829.3	781293.2	3689786.6	1720531.3	6400232.4	0	791942	0	17561890.1	1817495.9	1618294.2	544595.7	1707514.7	0	5588494.7	1556720.1	1581105.1	7285122.6	0	2653298.7	0	0	4376879.7	3995682.9	0	836577.9	962963.7
2-Deoxyglucose	0	1213913.3	13975197.3	16282665.4	1639884.6	7857102.9	8396343.2	9917348.7	16947821.4	4208156.1	11998380.1	10340846.8	6440661.3	9951552	10097603	11525858.1	9099311.5	6476090.2	5535630.1	10321998.2	1726014.2	5800858.6	12196302.2	4204220.2	18711509.2	13492994.4	986749.2	3483832.6	12530174.4	13303177.7	11928555.7	13287584.8	5889166.8	1936547.4	19145129	20740967.5	12605179.9	7884107.6	4121253.1	1253984.8	12599669.6	14289806.5	11076259.9	9148403.3	6977141.8	11745652.2	16320693	15689192.5	2778874.5	13452978.2	4490760.2	6686096.3	15205469.3	8697943.1	12055687.9	13453897.7	7080815	13440636.4	12986317.4	1723315.5	7390436.4	7115764.1	10387189.3	19600815.2	5387463.8	13789129	11135105.2	19493925.3	14597913.4	16569725.6	2928763.6	11658871.1	1116084.1	10728387.7	9681577.4	6141248	19212802.4	2706914.1	14134322	9795198.6	3550748.9	29110459.4	23512668	13308524.5	14219787.6	19376922.9	16438190.2	13938442.6	7336200.3	16484280.7	15583028.8	16192082	1618514.9	0	16150718.1	20051019	10407832.8	11577977.9	6205710	13155101.8	7960411.9	12224263.7	40233271.9	12873021.3	16404850.6	13441143.7	4830984.4	10124948.7	9999132.4	8620612.5	6081747.6	3253227.2	8026722.7	10463093.8	5916023.7	0	11048325.3	17163757.9	3957284.7	3407708.3	10812453.4	8306418.2	9761368.6	14002633.5	12452645.1	5457908.4	9300689.9	14378836.6	18031141.3	11694290.8	4326593.2	11251423.4	27710226.7	5350394.1	14076380.6	20668709.7	6654963.5	10377768.3	14244226.6	14542616.6	4174480	13378512.9	9936406	10410997.1	9115211.7	6435620	13418564.9	10081507.8	7553875.1	15952620.2	12641023.1	16410685.3	9409091.3	9911198.1	5191817	3497160.6	15218817.7	10642542.7	6694816.8	10405623.8	13300426.6	13627136.8	24280466.2	18355480.4	14007833.2	16481289.1	4378275.5	8931731.7	9476946.1	7713982.4	6425266.8	3159243.3	8250427.4	9959925.5	6261494	9305259.5	6426059.9	2499599.8	9881781.6	11272370.6	7655977.2	4691786.2	13568471.5	12917446.6	3471405.3	4022661.3	15288043	14128537	10130230.6	8659418.8	3288575.9	11325870.4	3397234	8843337.7	14409094.8	12634744.1	2632742.3	8027827.7	3992369	3364960.5	13473368.5	13611976.2	3045004.9	3277922.2	16486908.2	8673436.3	11488825.8	1670004.8	14740106.9	16151420.2	10559531.8	20749046.4	12518606.1	14704689.7	11014385.3	9976751.2	4457148.7	12868923.9	9265797.3	9958871.2	10078619.2	12613245.6	4992814.2	3630422.1	13495102.2	17106464	9185550.3	14067584.9	3220026.8	15968221.1	16714695.3	15699596.5	12934709.6	10794033.9	10744890.4	7188566.2	5157395.2	34638052.4	7823786.6	3616970.7	8399554.8	4021938.3	9805562.7	15620302.5	5741393.2	16583909.2	5170405	12956802.3	3861910.5	22131741.2	12326993.6	14291441.9	15155381	17163527.9	3392923.5	14297969.9	6145052.1	4043942.8	17665011.8	3915507.4	18517294.9	13719087.1	3026640.4	5999155.7	18433155.4	15089053.7	8376669.2	7498734.2	19350242.2	6107481.8	10872549	9592337.8	8771447.3	4057369.4	16619252.2	15157543.7	97510.2	1485564.2	19528466.8	14465549.7	8106306.9	7446966.5	1295511	11967830.4	7781023.2	3679775.3	6334800.5	13736662.7	17933181.7	7026960.4	11470827.3	6410671.4	6662340.4	2756096.2	8293582.8	19679635.6	10497510	10100200.1	19487162.4	7794576.5	22846133.7	14721869.3	21732835.3	10455088.1	8758637.1	3415949	14845833.6	8718543.8	2062590.2	4107045.7	11798112	11922663.2	14549621.5	14706884.8	17349342.3	8498771.5	11193035.1	10228284.5	9727771.6	4274400.4	16774398.1	9170612.5	15321195.1	14612125.1	12135773.1	1726895.1	8533832.4	3886083.6	2850283.9	3041426.9	13113118	17086285.8	12554929.7	16355816.7	12621675.8	3000663.7	9276955.3	3250035	11287370.6	16890366.6	14673173.2	6366589.8	10695467.4	10722796.3	16160768.3	18630701.5	12951291.2	10692263.8	11699773.4	2759966.5	6900628.3	11146164.5	14034815.2	14497976.9	1880584.8	8838309.2	12942578.8	11555423.3	30646726.3	12720021.9	4245797.7	3324726.8	14641534.9	4124321.5	8879058.6	17177987.6	17237986.2	13920854.1	2248596.1	2175610.5	14184338.9	14455641.6	21811376.3	9921650.2	3153742.2	8926312.5	2064146.1	1620213.3	3493835.3	9623735.8	4473479	11275301.2	8163146.4	9445144.7	6784362.1	14276866.3	922307.2	17221682.5	4652810.5	9558322.8	2475589.5	21278813.9	15471586.4	16295908.1	11748476.4	24193681.9	9570364.3	6423836.1	13218124.3	11442682.1	4745609.2	11610521	9110258.5	12657221.5	11275750.4	18288378	11024058.1	12852340.4	2349989.1	13112740.3	8354302.9	10821876.9	11786039.4	14013305.5	16613827.3	15772112.9	8938351.5	16571959.6	17774773.7	11470976.3	12090499.7	10299300	11748088.1	10537969	4644828.5	10118671.8	11290356.8	11223632.1	5932359.7	3887457.9	9923808.1	9997512.9	2928321.8	4426454.3	7992340.7	21079569.6	16471558.5	17666572.2	7313680.3	3535409.2	17277391.1	7527970.1	3383419.9	16288369.1	3105064.9	4647623.6	12331056.5	12104791.2	3835527.5	8383683.5	3728543.2	5828192.8	10665147.4	14875781.3	10647884.1	28876301.4	9674292.3	15513878.4	17632490	18906184	2038195.5	2011593.9	11181332.2	14953320.1	5697729.7	7110506.3	11667599.6	3366188.2	3558921.8	9860691.3	27146929.1	2917226.8	32787462.6	9837300.9	4315747.6	8084727.2	12311168	3921936.2	17533023.8	13036285.8	10458107	3691673.6	11865051.8	9427163	21133658.6	11982992.1	13347015.4	22745347.5	9106178.2	7675617.6	8768367	11417339.2	13909852.3	4850980.3	4669806.3	8995835.9	9119100.5	16465035.8	11184476.1	11981901.4	2805702.4	5628560.1	13078323.8	4593552.1	3126467.5	8848216.7	12744083.2	14867489.6	16573607.8	12739653.2	5850495.9	13971081.9	10271166.1	3595763.6	9152360.8	13819492.8	10986722.6	16677368.7	11643480.4	12508172.7	15925716.7	8616017.5	10449745.4	15307971.2	8998330	13730310.5	13399962.4
Hydroxyphenylpropionate	0	2055820.1	0	0	7774944.8	8537457.9	4407135.7	0	6000564.8	4493399.8	3245358.8	0	0	0	8206019.9	1974595	1830110.5	0	0	3446523.3	6727355.5	0	2868274.4	7331313.9	0	0	0	5993914.8	7256446.4	5197165	9070671.3	7306251.9	7334689.8	4783193.9	15712278.9	8086464.2	7446316.2	0	5973309.6	0	0	0	0	505920	5747383.3	8769914	0	0	2891420.1	0	4226427.6	0	0	9644191.8	0	10707629.3	0	276401	0	5972453.2	0	0	0	5231694.2	4104540.4	19982083.1	0	4235445.6	0	0	19420919.9	0	0	0	0	492137	198276479	0	0	4032510.9	0	0	0	0	5310292.7	0	0	0	1485657.2	5153523.9	0	0	0	0	0	16312274.7	11091622.5	7180827.7	0	0	4063214	6260425.1	0	0	976502.1	2874511.4	10945888.7	8333903.2	0	6966387.6	0	0	0	0	0	0	2967913.1	2284645.5	0	0	4110809.1	992764.6	0	0	1464612.6	4531061	13163666	0	164354211.7	0	0	0	0	0	4792423.3	5368590.7	4204965.4	0	0	25732464.5	10215491.7	0	0	0	9047443.8	5456091.1	7044274.3	0	0	0	2782963.5	0	21493678.4	0	0	0	0	0	0	0	93659.5	0	0	0	1444509.8	1777251.9	10726341.3	0	474350.8	0	6965600.4	8731378.7	4705221	0	937330.5	0	0	4056315.9	306490.4	0	0	0	169641.3	485946.3	2582021.3	0	1707982.7	1814144.1	1516483.8	1389958.4	8106370.2	7620742.2	1389954.3	1356676.1	0	1475574.5	1669098.9	1404439.9	1541080.6	1793038.7	1570982	0	1562470.1	2285284.2	1559552.9	2573175.5	2898006.8	3455525	1969778.3	2038583.6	1627537.7	2042930.2	1453489.2	3519597.2	1785468.4	1707551.4	1255538.3	0	1519558.6	1503624.9	1783492.2	1818574.3	1602078	1989193	1415282	1554897.5	1663766	1702746.6	1557744.4	0	1846482.2	1858437.1	1548791.7	1875298.2	1397148.7	1696653.6	1741847.9	6022846.6	1882255.5	248044581.4	1945338.6	0	1519110	2045429.4	1505179	1742461.8	3433313.7	2195616.6	1665344.8	2107741.1	1871488.3	3140270.4	1946944.8	1937350.3	1571492.7	1749032.7	1987690.6	1539425.6	3992131	1485450.4	1503188.1	1721315.8	2027733.7	1824715.3	1913885.9	1604570.4	1773515.8	2941598.1	2427215.3	1724768.9	1464473.4	1633550.4	1594375.1	1814440.6	1768437.8	1773520.3	0	0	14617903.2	700700.1	28209	0	0	5100084	8688398.8	0	0	581853.1	9873124.6	2204985.2	0	0	3022907.2	0	541676.1	5560592.1	0	0	0	0	2834182.1	3339509.9	0	14065.9	0	12592.6	6933467	134735.4	7543715.4	4227023	209429	413686.2	1073455.4	2516031.8	2527352.7	0	6859658.6	245141.9	0	0	555275.2	0	1019751.6	1586762	0	500425.2	0	0	572122	1536203.5	0	210129039.7	0	6843114.9	256125.5	0	2119976.4	1222898.8	231484.6	0	0	2372895.2	84480	685278.4	891540.8	1941959.9	1111285.9	0	34115639.2	345327.5	0	8937204.7	2199814.6	755525.9	1650648.6	0	743733.4	8674609	1294920.7	758151.4	955052.1	3798446.3	206582.7	956860.6	501224.1	0	858168.4	1397541.1	0	590677.5	0	0	4146288.2	0	0	6088220.5	1389857.9	10648951.2	0	9815611.3	2802640.6	782121.2	5157383.8	0	12994315.8	415149.9	0	0	0	4292731.1	6565537.9	51841.4	1055145.5	0	7621018.7	0	0	2300957.5	6554976	0	0	9364752.2	27882918.9	4628810.3	0	6038723.7	0	0	0	9858835.8	0	7321846.7	0	0	0	133856.9	0	5169431.1	6778407.5	0	0	4768873.6	0	0	0	0	0	8701924.3	0	0	0	19483.7	0	0	6611292.8	0	0	355255.1	7278656	0	614187.5	4039794.1	29997097.2	5945251.2	1335842.7	68768.7	0	6107584.9	0	0	3805478.7	0	0	196254620.9	0	200269.6	0	0	679594.8	1329488.7	0	0	0	9172722.5	0	6482661.9	5217693.8	0	7725644	3546467.3	130233159.5	5406314.7	9926681.5	9583866.4	0	14345205.4	0	5043947.4	70165206.6	0	0	6699074.8	0	5070788.6	2004733.5	0	0	5663393.7	0	5818470.2	0	0	6684205.3	0	0	5196894.2	0	5504336.9	0	0	0	0	5591647.4	0	0	0	0	0	26748273.7	0	6087320.6	0	0	0	0	0	0	0	0	9569689	0	10794264.8	6070922.3	0	0	0	0
Phosphoenolpyruvate	0	0	325435.9	640340.1	10184291.2	389903.7	75700.8	3490934.2	1123017	1508333	5752162.7	334330.7	8292045.3	4708751.7	463795.2	81890	1204423.7	98687.2	275235.9	0	0	1588705	6837216.1	4932561	575899.1	0	820897.4	5050708.5	1701230.5	1964313.7	1026169.6	807886.6	7792222.5	6347725.3	0	7300616.2	752332.9	3917126.1	5784216.5	778986.9	186402	6254683.5	0	1592729	0	3346581.1	459955.2	0	5595960	209070.4	4395223.3	123754.6	902944.2	2931656.4	440927.6	646046.5	0	3549906.5	4221591	0	852391.7	155758.6	0	2065070	0	4082499.7	1526647.8	2205422.1	410770.8	0	597992.6	511937.2	5447107.7	274580.6	3304180	4841224.6	0	10514053.5	1954855.4	1839582.2	0	0	515880.7	286441.7	1301297.9	2552690.6	7854103.4	1025226.9	0	555603	496535	0	0	0	2907335.3	2295109.9	13665738.8	0	504980.7	1476961.5	0	1017180.7	0	20253768.1	1126680.5	21612889.9	1520756.5	13177595.9	0	172117.5	169971.4	934104.3	677226.6	1411197.2	2962914.8	1330397.9	25831.7	3402113.5	601744.1	131105.1	1182552.8	0	201243.7	763406.2	0	1000878.7	10436332.5	10936013.9	0	18244875	0	0	0	254425.3	0	259285.2	181152.5	846720	1168016.3	4256339.2	249762.9	0	421763.3	1900753.3	290186.7	842274.1	662658.9	863336.2	265731.7	1223740.2	506142.1	5011454.5	228442.1	0	364208.6	3050910.7	0	1475128.4	0	1107411.7	167758.3	0	3843225.5	14727495.5	971860.5	18712604.9	2000292.9	14259241.1	0	1329220.9	1621400.3	749815.6	728785.9	1434723	1687561.4	1572613.8	577089.8	955128.2	987263.3	7116104.4	0	0	152024	594728.8	0	0	109863.7	1687503.3	6661481.6	8352633.4	0	1273094.8	5068717.3	396467.7	0	6718673.2	0	230028.7	0	807617.3	0	3801680	9136809	8287272	0	6488058.8	100681.6	904574.6	617951.4	0	132261.5	0	0	0	501283.1	3022862	811216.8	4234565.3	1920187.4	3999393.6	1105171	3411941.6	3488034.2	4450434.3	0	279278.8	3065333.8	3845116.1	0	283222.2	6417269.1	0	0	0	4961051.2	1815822	0	0	0	0	4492343.7	1256221.8	2748249.1	0	8780839.2	1021766.8	2685799.5	0	0	4125317.9	0	0	4509419.2	0	0	4684892.5	0	4695578.7	406678.3	6163945.2	0	939104.9	788610.2	9725781.2	0	14352431.9	507113.1	0	0	5389208.8	0	0	0	4295944.6	77274.6	0	0	0	12367342.8	0	0	0	0	2171532.6	2735933.6	2904217	1179978.2	544157.9	7542273.1	1392061.3	29658372.2	1358484.8	0	0	0	0	207840.5	918139.7	6622607.2	0	12765167.2	0	4888382.4	283221.7	0	0	0	1776238.2	4236021.2	0	3423645.1	88273.5	13187692.4	0	0	0	0	0	8267686.5	0	58085.1	1846818.2	454413.2	0	7252246.6	0	0	0	0	0	330866.8	0	0	0	4809517.9	8747730	1788857.4	293773.5	724325.7	0	1292424.5	306994.6	0	0	0	2034785.1	910675.7	12202686.2	13254962	0	0	0	0	0	1446373.9	1614049.9	0	8191821.3	630018.4	7531332.5	2600408.9	0	0	896442.3	0	0	3360525.1	0	0	0	892791.4	230097.8	0	0	1159867.5	1053925.8	2228665.7	2012721.7	2093893.2	323168	644523.1	9917663.2	995096	0	0	502694	3197561.9	365655.2	874632	4795497.2	1632757.8	0	427182.5	0	0	490338.4	3755843.1	0	0	10962.6	6125943.7	1330612.2	4228228.6	194376.2	6647663	484951	3613907.1	439246.9	1756291.3	5964002.2	0	1073842.9	1085796.8	126459.3	931652.6	0	1887213.1	317670.1	3740473.2	0	914226.6	0	6985334.9	624119.7	10494280.6	1543321	314125.2	615165.3	2587658.7	0	1244926.6	2357535	2955079	108274.2	248161.3	293323.8	888524.2	1184077.4	8169364.5	521192.3	761073.7	785191.5	6614332.8	1663696.5	1528632.8	0	573138.7	0	8743118.7	596305.8	0	1372653.6	1183451	0	537940.3	0	12452944.4	0	260480.1	0	0	0	0	2352260.2	1774056.8	399468.9	1589137.2	0	2658708.9	0	0	200874.3	5971104.8	350254.3	984405.3	4754738.8	2030155.9	2272713.7	0	0	265605.5	0	198626.4	749005.7	6570778.7	0	0	3923684.4	0	605370.1	495076	1051321.9	3160998.6	0	0	1530062.4	10622012.3	0	0	14534371.5	564781.9	1451579.8	475427.6	1024627.6	4243899.4	0	942093	66871.8	0	0	0	20744884.7	1452947.9	1096068.9	836568.7	607714.8	3120662.8	0	69499.9	0	25315658	1042348.4	0	15098220.3	2940745.4	428912.3	0
Urate	0	0	45905423.9	40426243.3	60333169.1	27456787.4	34489069.3	40405169.3	55249133.9	50465258.8	43582544.4	43348204.3	40631655.6	37979618.1	78964027	39400012.1	79905079.1	31243022.9	47923864	20905524.4	54034645.7	42501431.6	59252191.7	51507559.3	43543310.8	41244130.6	56064947	56498255.1	59181018	44550860.1	37021111.2	47234966.1	60142909	54032997.3	100238595.5	46093364.1	25220443.8	56308343.9	65803106.8	38383306.1	57731319.6	49582529.7	29223160.6	68887685.6	68554025.6	60195714.1	43696220.9	44595281	51989475.9	21689429.6	52390955.4	52432724.7	29543817.3	62115563.3	28845212.8	44372431.3	33082074.6	86189995.4	15704470.2	65127673.6	45099190	42413801.8	42886055.5	73272650.2	78713071.2	30133930.3	52056219.8	50868891.8	42947022.1	43482644.9	35867453	54263481.7	46444917.4	40278791.4	58384068.2	66537165	46391157.2	76979408.2	53710229.7	46566059.7	35765597.4	41784162.4	54087938.7	46965093	73143892.7	69090487.5	29381131.7	30556322	58906341.1	89076037.8	47181084.2	45018666.8	8616621.9	0	36692536.4	30236205.7	38298789.4	37691524.8	59864960.3	55882186.6	43379513.4	37495564.6	90867528.9	26815000.3	39846271.8	30304288.8	55453254.1	46550134.8	38867384.1	59802642.7	54999547	66484863.7	51946685.4	67227478.9	40562094	35981817	45842312.3	28132972.6	49394670.3	67085007.3	35857513.2	93697141.2	66709018.9	84947208.9	39210485.3	33269335.4	29036788.1	25203612.7	87698677.3	42916090.5	38671233.7	40800587	91681718.6	44246327.6	52815924	45873218.4	34072547.5	49014571.5	45066977.4	26658732.6	69351074	41117866.6	42031713.8	45651660.6	54472049.4	27627490.3	44438539.7	50519785	49352755.7	47111061.2	45937728.2	27167370.3	70199429.9	45743293.9	82662484.5	59143863.2	33025618.6	82044242.3	36858317.8	58333428	48638964.6	44125504.3	68660860.3	27594356.4	43435089.4	29194609	54971603.3	47274339.9	42636714.3	67658885	56211197.6	74318433.5	55753154.3	68948736	42046474.9	38023320.7	48153399	55213724.2	50161737.8	32658249.8	67625792	41973650.5	46069893.2	45382175.9	0	0	45013729.1	40327929.9	73225403.3	46721573.6	64815262.7	70372855.9	47453877	46985591.1	38823793.4	59391452.2	36024402.2	64670892.4	44732521.1	37081401.5	58239672.4	27138149.2	28556879.5	46692932.2	50395956.2	26960752.1	89050477.7	57864250	39385252.7	40730200.9	60609675.2	89431915.5	40252563.4	46016128	57345424.3	71425777.4	53154739.1	45777519.3	44030551.8	38521744.2	88520524.6	38134018.8	46824308.2	64150375.2	21210807.2	38777285.9	47422909.6	83222879	39384909.8	42464013.5	46409636.3	40828965.8	39556321.2	42119208.8	42429283.8	87617076.4	33929973.7	56911182.4	51655728.4	43158220.2	48446001.6	53536278.2	49949774.7	42228399.5	55542905.2	45793147.1	50285349.7	31040582.5	41933676.6	47944390.4	43939154.3	36946260.9	45364085.6	42772819.7	59408771.5	53712373.4	51186172.4	69747737.3	55534507	50349773.3	63196459	68274275.5	57348877.9	39473396	76044776.9	58498369.4	74150508.3	47770289.7	57699839.2	39122009.8	57863926.5	54070466.3	30123354	40682120.4	46693203.3	38190972.6	2118616.6	0	21429736.4	42045025.8	43505418.2	47129685.3	41039663.4	55223365	67988940.9	74713838	56901057.2	57917311.4	28654494.2	47313226	29541269	77194150.2	45198952.4	65534593.4	63179675.8	34978753.1	46362274.7	67295057.3	47642785.6	65058901.7	23480526.6	42944925.7	20276515.5	52494811.4	39307831.9	43619289.9	33877368.7	67346140.8	42941684.8	38089499.6	42552584.4	46093259.4	22203495.2	67214791.7	43042526.5	63834591.3	50345457.8	44977291.9	47038157.8	53979479.7	51486752.6	35878744	41275884.6	41878233	41218570.6	51777066	68166214.7	40675037.8	32517760.2	89551997.3	56325224.4	65513163.8	52628845.3	58982808.3	32731364.4	66928347.1	38712223	59561396.4	96648781.7	76325581.3	42712257.9	81911587.1	53925547.9	53406379.7	47702723.3	36027931	46474252.1	53155900.7	41285609.5	46676886.4	45063771.9	102618192.3	54258596.5	51205534.1	73837206.4	40600911.7	45281498.5	17809071.8	39654124.4	51950317.1	59348695	26986006.1	29621056.5	57924424.3	49020944.3	38261580.5	39809687.4	45203245.8	0	5958825.3	43697700.2	39718578.9	42945876	43692095.1	46583796.4	52105180.6	42713809.6	48987508.3	47770674.4	37315527.6	86555183.4	45495290.1	45514732.3	15866160.5	50135395.3	40426176.7	56091077	30467668.6	36831596.9	37968317.4	48747207.1	89284460.7	40577343.5	43111145.9	26993814.4	55384296.2	30120920.2	49952122.2	45538487.2	43633823.4	70396562.1	56369876.9	139096274.9	48021771.4	69720541.5	38172505.5	75727971.9	43101862.7	57611265.9	79201750.4	45551108.5	65384090.2	52531724.4	36315229	44317345.5	45914755	34168785.2	38787591.9	31080404.3	35841042.8	57891715	36082348.5	70745566.5	68516431.5	44590652.9	52058605.5	33287657.8	49299375.2	65834329.1	37079093.6	53202720.8	57138861.4	53632347.8	46609225.3	43675919.4	38448634.9	48695696.4	45143743.7	34347243.4	52066114.9	58800541.4	56835971.8	26387909.5	52704844.5	73212356.1	39369395.1	44337362.6	51965427.3	51994351.9	52967324.2	41878690.2	44843641.2	51816746.7	81428578.5	38257210.7	43041425.7	56246681.1	42957816.7	46946789.2	43825216.8	0	0	47220666.2	32459170	46074559.3	45515737.5	45438508.4	71421107.8	67796935.1	57067132.1	68918070.2	46902920.5	37836998.4	48134034.2	66255707	34880838.6	49622518.3	46038270.5	81728345.8	36524969.2	47015937.9	62956512.9	48924535.9	37416886	32897473.1	45931528	40086164.4	49708303.6	38906532.6	44178209.5	51288426.7	46601153	42253358.3	61374760.9	45499645.3	44696534.8	29681626.9	75113502.3	35075348.6	26340401.1	47895703.5	36346951.6	63634998	36479179.2	53694721	39875305	46588615.4	45598889	143291286	58790493.4	30333174.2	38800547.6	66653510.5	38659250.4	50379606	37905762.6	52069701.2	53376731.1	44547303	41776118.1	34750970.7	57531031.1	40175175.2	29163016.2	72984957.6	46440419.2	47558910.8
Homogentisate	0	2976691.2	1970770.6	0	0	0	1000020.9	867193	3585289	0	3648503.7	644651.9	4513057.3	415358.9	0	0	0	0	3901930.1	0	4237999.1	0	0	0	0	4144905.9	0	0	0	3683127.9	0	0	0	4876236.7	0	4191131	0	0	0	0	0	0	3862571.7	4371345.9	4509088	0	0	0	0	0	0	0	0	0	0	0	0	5732143.5	0	0	0	958350.1	0	0	0	0	4637866.9	0	0	4748058.3	3186217.2	0	5241080.3	1006585.8	0	0	0	0	0	0	0	3514495.4	4246206.6	0	0	4920821.4	122143.2	0	0	0	0	0	4114528.1	834767.6	0	0	2133861.5	0	866147.6	714175.8	1502525.4	0	0	5053003.8	0	0	0	0	607190.3	872577	1062251.5	0	623409.9	0	1244840.5	0	0	3877029.2	1111236.7	923120.3	799584.8	1440188.2	0	0	1639312.9	1715423.1	1693699.9	3634741	0	3648791	0	0	0	0	1021328.8	1094490.5	5017849.6	1733593	1638212.9	6915426.2	0	0	6063155.6	0	1147972.8	0	893913.5	6024539.6	2060523.6	0	1880284	5811197.1	2849213.2	0	1210336.7	0	1406408.2	0	0	1039547.4	0	0	0	0	8839785.9	0	0	0	974347.3	0	783043.3	0	0	1379489	0	4957015.2	0	0	5597731.9	1165432.3	0	869979.9	0	0	806731.7	0	0	1718335.8	0	0	2420266	2500237.7	0	5777227.6	5821290.4	902160.7	1134983.6	0	0	3868249.8	1450165.1	1496900.7	6528888.3	0	0	875485.3	0	1266394.1	0	967589.6	0	8537858.4	515596.6	0	0	5210255.6	1551158.3	783352.2	966734.9	0	1347311.1	1346646.4	2412278.6	1083788.2	0	0	4440575.9	1596485.4	0	1516605.5	4319052	0	0	4419662.2	0	0	864296	978852.5	0	5312552.6	995193.2	943447.2	1041481.7	0	0	1437085.1	0	4966559.1	1366895.4	0	0	751179.8	0	5938535.7	0	4951366.5	5473784.9	1208659.1	752917.9	0	0	0	0	0	6438504	820647.2	1360521.3	993418.8	1772794.1	912191.3	0	0	1074336.9	0	1064797.1	773829.5	3370556.2	3333958.7	0	5319163	2475551.6	556035.3	5716558.9	576388.9	0	341084.8	476547.4	601389.3	5111586.9	948089.2	0	368250.2	791486.9	434951.5	4076353	203206.1	1368034.8	483197.8	462122.6	336658.1	3678059.1	0	0	5298612.3	3505381.2	0	5543182.5	0	4656365	5645280	2199328.4	539193.1	3083912.9	0	0	5397810.6	1557541	0	0	0	0	271540.8	0	6057330.1	6001036.1	0	0	499505.1	1007781.6	750674.9	5523721.1	5570002	4770761.6	1177259.3	535179.1	4148678.7	1949516.5	3134776	743640.6	1093847.3	741021.5	922168.9	0	1105498.5	0	0	3953688.7	2582609.6	0	403156.5	0	634651.8	2027860.9	4143491.2	1061080.6	0	0	1962108.4	0	6838534	564194.7	795899.8	0	3914747.7	0	0	0	1109979.4	0	2291072.3	578255.2	4421916.8	4377702.5	928719.5	338917.1	815852.2	339593.1	4015357	1219334	0	1243293.6	664876.4	725444.7	347026.4	1337700.3	574932	1273377	3539619.6	1166577.7	4603810.1	446724.8	470367.1	0	0	0	708085.3	0	481638.7	487062	0	0	3724902.4	0	0	0	0	0	0	4070196.2	573560.1	518216.2	378140	0	3441742	0	331458.3	701028.8	0	803205.8	0	4745505.4	3731661.6	4486055.5	0	3941071.5	4036981.7	0	0	0	529923.3	2588822.9	3947055.3	2715008.7	0	2826131	0	3935304.6	3455632.4	3957703.9	0	0	0	0	2481608.9	2977688.1	3171031.9	0	2527290.7	5100291.7	0	3606078.9	0	4218734.9	12277139.7	0	2333033.3	0	3973794.6	0	4485851.9	2333226.4	0	808608.4	1490948.9	3250800.2	3800310.8	1311203.5	1712649.2	1073800.5	796472.1	3501334.7	0	6923060.8	3885721.9	699168.4	1856992.4	0	699440.7	5340990.4	231606	717500.5	4892456.1	638439.7	926030.1	5122690.5	451806.8	0	2999153.7	0	4166980.8	878810.3	470928.8	1924174.9	4595215.9	569999.6	546483	7776211.7	1349129.7	802651.8	0	0	3341424.4	580083.2	2383000.6	0	5150279.7	292663.2	5809931.7	1771719.7	460448.1	4010171.1	3159956.5	0	476762.2	0	91253.2	4580034.4	0	741915.9	1778813.3	7139797.8	5586850.8	0	3547775.4	2064321.5	0	0
Dehydroshikimate	3128379.7	40226.2	3741765.2	3574833	2042453.1	0	0	5141978.7	946577	0	0	2968944.9	0	3986166.1	5466226.5	0	0	0	182623.7	0	0	0	0	0	958274.6	6397571.4	3703066.5	5293977.3	0	114090.5	0	2822220.4	4345090.2	3712449.9	5186101	0	0	6096760.2	5002616.5	0	4093849	0	19457.9	0	0	166755.6	0	400355	0	0	0	301169.4	7011117.6	0	3201242.7	0	0	0	0	0	2271947.5	0	0	0	0	0	492633.5	0	0	5008721.3	0	0	0	0	0	0	0	0	0	3468051.9	100845.3	558758.6	2125156.2	0	843607.8	3134.7	0	261822	89033.8	15552.1	510145.8	4543009	5566001	4631749	0	0	45352.6	6757.2	1798763.7	0	0	0	12834582.8	679181.9	0	0	0	821578	587888.5	556109.5	712693.9	336281.7	499138.7	374873.1	434957.2	0	0	0	2030694.3	0	0	5023909.3	876180.3	0	0	455051.6	794814.6	2106948.8	3533773.5	2011793	2176733.6	0	0	1612838.3	1485138.7	0	1560403.2	1235499.9	1672808.9	1616071.2	0	2371375.6	1920011.6	1632647.9	0	1552827.9	1621086.9	1527907.1	1413330.1	0	1258592.2	0	686478.3	2146733.3	4933625.7	1325540.5	1865869.3	0	1464514.4	1762863.4	1394086.2	1690624.6	1198767	0	0	2585279.3	3191642.2	2139735.7	2654076.1	2269068.8	0	1863598.5	0	1755724.4	1741952.3	0	0	2941511.4	3096860.9	1592753.9	0	1766144.1	1945816.8	0	1320162.6	331028.5	3168095.3	0	3004043.1	3186492.9	3108302.5	0	3228684.8	0	2907190.8	0	0	2997344.5	2217963.2	0	0	2427692.3	2505001.3	1941108.8	2258534.8	0	2045269.9	1926619.9	2140372.9	845064.3	2323890.6	1612641.5	2328382.3	1978629.3	1859392.8	1949736.3	1529254.3	1845497.2	2162645.2	0	2896390.3	1147591.3	1781799.1	1086306.8	2042863	1767693.3	0	1609431.2	0	1661599.9	2054944.9	0	1869617.1	0	1776212.4	1297239.4	1358327.2	1432869.9	1539753.2	4932698.5	0	0	1372449.9	0	1901306.8	1588487.8	1266000.5	0	1311162.1	850946	1991290.9	1814973.7	1257000.1	0	3367556.1	1434398.8	0	3233125.7	0	0	0	628619.6	1289696.6	1223069.6	794109.2	1140316.3	0	478029.1	4164416.2	1459840.7	0	1868898.4	701826.7	958385.2	1313897.8	5904889.4	0	0	825953.2	0	0	0	0	0	0	0	848784.5	1731831.2	1055241.1	1719684.5	1067353.1	1499633.1	2029964.2	0	1023392.7	1351514.7	1869639.1	1409873.8	1011181.4	2084493.7	0	10903294.5	1199696.3	2902044.4	1620365.4	3915503.4	0	2183909.9	1415451.7	1629749.7	1119499.1	0	1209069	0	1552435	1209415.5	1413264.4	0	1511119.2	1126490.5	1005012.2	1170651.9	1785885	10750632.9	1148853	1912435.4	0	1889643.3	1685062.2	0	1276057.1	0	0	7139450	1090960.5	1279627.8	1170400.1	1359256.8	1362853	1478464.8	1497468.9	1092678.9	0	844467.7	1958081.9	965253.1	1398433.9	930951.9	1137260.6	1771444.8	1345454.1	0	1328002.1	1214506	1258672	0	1032074.9	942807.5	1299934.7	870768.2	0	2831065.2	1431612.6	1437366.1	984557.5	852410.7	1797170.1	0	0	0	1434291.3	1365630.6	1409555.7	0	2408461.4	0	0	1503362.7	1405848.1	0	2315129.5	2502179.7	1402397.1	1352403.5	1367458	0	0	1288522	1348627.2	0	0	1493039.8	1228854.6	0	0	1322156.3	0	1437310.2	2599064	2158772.5	1309872.8	1357242.9	18954889.4	1385212.4	2869723.9	0	0	1293266.1	1323727.6	1316504.9	1353964.5	0	1322206.9	1418382.9	0	0	2224310.6	1656576.6	0	0	1291976.9	0	1369121.4	0	0	0	0	1508358.2	2137977.6	0	2343477.1	1317863.8	1322733.8	0	1312473.3	0	1423992.7	2382838.5	1318743.7	0	1395700.5	1479029.8	1514221.1	0	1334136.5	0	0	0	2337973.3	1902212.3	1516354.3	0	0	2864509.5	1313541	1397690.5	0	1302961.2	0	0	0	3475426.1	0	404081	820819.4	730150.8	659845.4	0	543680.5	696905	641797	436364	872843.5	2011384.4	1079980.3	914884.5	1189263.1	780066.4	3397400.9	696980	718020.1	0	1123260.8	1046401.6	1221974.3	0	1631630.6	1052517.7	1458707.2	1327724.7	1446792.2	900939.1	1324386.1	0	1802420.5	1084744.4	0	1289025.5	1736494.7	2587610.4	1656314.1	1696768.6	1669918.8	1496665.5	1490979.2	1582048	0	1222871.5	17168303.9	4156103.6	1995482.1	2565198	0	1860010.6	2119726.3	1512149	1542056.1	1874324.9	1712694.4	1659146.3	1781278.9	3016850	2278968.5	1996624.7	2537224.3	2149736.6	2065523.3
(CisTrans)-Aconitate	12835643.1	9097171.1	201057088	195309566.2	81929120.5	93893192.2	68040766.1	123098879.7	139169750.5	110464231.5	96820976.2	176283353.8	199378298.1	132331273.8	142416438.2	55137983.8	87970353.1	79401689.1	89835048.7	118371793.5	133918471.5	78018723.2	86372487.4	108949182.2	193065431.3	197330759.4	116916479.9	127886185.6	193890594.6	206459864	78023792.8	67137324.5	192808685.4	111901842.1	381079785.9	157091209.2	95408132.7	134932561.2	158073681.6	98904663.5	150009685.1	119229540.2	83460492.6	181502397.4	192061477	207500584	221105958.7	225051989.5	122098889.9	61725027.3	164457377.9	188260764.6	116363050	183588599.1	60626454.2	139235426.8	48982995.7	122983504.1	83336684.4	68356279.7	69602016.8	73889582	28057776.2	135257552.2	70199046.3	118589046.4	164473143.8	71403711.9	187107615.8	203843576.5	110257528.1	164951895.4	172252285.7	80167412.1	100482947.5	188902057.3	405722253.2	169942123.8	105770689	129779679.9	82506908.3	70326717.9	91398669.9	124376330.4	372005473.8	95872905.8	129180228.4	81892183.7	127749223.1	54170982.7	215919288.7	216757504.2	13063025.8	6357715.3	202724117.4	220881363.2	183929598.2	73744918.5	170083661.1	146952286	57012752.8	118883715.5	67302089.7	139546583.1	160647275.2	139821985.1	40761392.5	120744440.2	81611924.3	83817072.8	113825364.8	143780456.8	280276783.3	138989625.9	123248933.5	140674892.5	190469127.2	231355514.2	134733151.9	103490872.5	73386958.3	62420857.5	180180276.9	386058617.5	125325266.5	89610604.7	133793019.3	147881103.8	20031505.3	163267976.4	69854135.8	112742370.6	23663602.1	119717452.7	41771743.9	165148332.2	124720543.5	113137845.5	261708684.6	248392869	159812082.7	50753935.6	83306966	128740028.1	221389545.8	57379687.2	64310390.9	125094971.1	84068891.5	96882389.2	167761233	161908817.5	224379609	71754419.3	111354691.6	127625290.6	111683798.7	215449235.7	87341349	330586267.6	236780974.3	241265293.1	93585884.9	133984140.4	178932648.3	205315220.6	78853616.2	140452624.8	70482688	109591072.9	117128040.1	114150381.2	266213333.3	131541298.3	134969805.7	137077519.7	134338828.6	127174676.4	102317675	105259316.2	61743177.4	60600945.3	228172590.5	212962523	1249520	0	227155620.3	244573493.9	128005234.4	123361416	6818445.3	306041377.6	119845163.7	87029323.5	123361518.5	121909245.9	68998053.4	67804503.7	71304645.2	133179222.2	51597803.5	35748335.8	73412165.1	90137469	76049559.6	65206622.9	105050011.6	169950716.7	220298492	243610058.7	170943470.2	32906064.8	95143247.8	84636514.7	122674690.9	157760741.7	146678419.6	100012320.7	151106103.3	144154686.2	158733807.1	186394068.1	68666900	115064283.4	110216055.5	131912425.3	60316991.2	186021516.1	118570066.7	135802685.5	240893880.9	254849116.1	53175568.1	115109844.6	169265251	172814735	163331959.7	62208766.1	85177165.8	78261312.1	184263339.8	159565380.5	152067647.3	270506674	101774138.9	119880865.5	182511430.7	114371537.2	67477514	129415540.1	91635976.9	89519338.2	233300017.3	251304449.8	119038717.3	273651847.1	45063024.7	119525975.3	173391600.4	125084063.9	260450356	112434700.8	180414337.6	121419936.2	146570368.6	85016132.7	159394171	117342794.1	335865268	83741426.6	62105016.2	143410578.6	119984833	44535225.1	234336341.5	222377384.5	5816054.6	0	242518704.6	205398119.8	232362755.4	77076930.6	136329189.9	169193195.9	229079174.1	367231839.3	48965802.2	93516239.8	196353818.3	94824267.1	208368344.7	120485541.9	81535459.7	124301893.4	98535577.6	84154980.7	291491022	141845615.4	87314163.5	167894455.1	263101319.5	212716902	177383716.1	90932671	88806249.2	29438988	143201283.6	139952686.5	152319318.8	172287331.6	75434510.2	115072249.3	222293036.9	206848914.4	66648313.8	163674150.1	129620973.5	105490800.5	85588632.4	118035008.4	95308360.3	93245514.7	232267024.6	259203189	113267623.1	133238569.2	178896382	26134020.3	44968718.4	148818165.8	182023948.8	213977619.6	94247306.1	83495152.9	200071506.8	190860594.3	99880465.7	176602834.3	114108410.9	127077096.4	45666612.5	179238011	51857507.3	83242288.4	242660494.3	212460485.9	75761125.6	124786888.8	163185135.8	87679668.6	64099580.3	44251892	114798882.4	55365389	109278940.8	111414591.9	61822409.3	158845652.3	67142156.4	188210401.6	160632574.4	94732769.9	67916889	162181323	43740025.8	82477020.3	195489129.6	227802269.6	15817141.7	13151399	201974902	202999116.1	54955245.4	98309159.7	84128700.8	130655293	104814338.8	225546814.4	212846274.2	47655164	174888393.7	129111688.9	73203416.4	67747911.4	41046609	103205040.5	127197200.6	72486382.7	85379619.3	98202674.5	96715929.7	353340690.5	203470275.3	208723276.2	103129531.1	114113833.1	94873565.2	96242074.9	131479308.5	48525614.3	223049189.5	88406332.1	391888620.8	144446275.7	179700891.1	81189440.6	134109726.6	122928742.8	236120666.5	87780823.4	82721622.8	96864183	76199713.3	117370791.7	228004471.6	229551907.3	107967805.5	140633373	93046113.7	60909898.5	104231920.1	60692158	180542346.4	101870703.1	111025434	201973398.3	118645865.4	145257270	114895075.7	92405498.6	191942450.7	92112257.3	96955661.8	104284654.4	124848019.3	85679794.2	240839354.9	241618916.5	142254005.2	127253751.5	168733380.8	251044687.5	76856380.6	84602702.8	258784634	112893169.3	127548784.5	63834415.5	180842372.9	174976080.6	55372907.1	86364742.8	105194169.6	206885743	101614026.7	70682495.1	125313305.7	60902106.1	228237423.8	236039908.9	0	0	165484377.9	243690341.5	91225361	91195782.2	134227712.2	70818107.9	149439344.8	29921834.9	2431070.5	147227171.3	125762068	128148448	136290966.7	192778874.6	81018421.6	157825440.2	88089356.9	120220156.7	98833135.5	315855022.5	119429341.4	157207709.7	266708362.3	208209298.6	76625512.7	132753343.1	80716146.7	94383217	194652043.2	62878631.9	186310211.9	162157233.2	125346285.8	201370535	228334907.3	35676439.2	119678970.8	134997785.6	141108952.3	103038482.8	75535759.1	65831521.9	100403727.8	156612046.3	220684223	286956389.9	31783611.2	60477296.2	87087519.9	181113603.6	124592388.6	117104450.6	163168737	138672576.3	127449471.3	41510008.7	185751355.1	134097951.2	239540478.1	120288313.2	127894847.9	180764282.4	116084634.3	247669516.5	264053224.9
Shikimic acid	7322319.1	3853628.3	3648796.3	2874459.3	1471384.9	3039878.2	2434519.9	3021198.8	0	0	1551087.2	3311703.8	3321816.5	5823668.9	3859898.6	3308528.9	3002204.1	3104217.4	3128122.6	0	0	0	5310515.2	0	5120410.2	3679362.1	3981863.5	3079480.9	0	905230.9	0	4410586.2	3435899	3071729.8	2910597.5	2994328.5	5526432.6	4118168.3	3540346.8	3764392.3	4257711	3345918	0	2675659.6	3506352.5	0	3436038.1	3945132.9	6013589.9	3296174.6	0	3455021.6	3622521.7	5182166.7	3566827.8	3747596.5	0	1104139.4	0	1928465.5	1171239.5	5166866.4	0	3948250.6	4706837.5	0	0	0	2722881	0	0	2019034.4	5616156.7	5301912.5	0	0	0	3716219.5	0	0	0	3028033.3	247897.8	208764.1	6468405.5	4252592.9	943950.7	0	4577013.7	0	0	1722862.8	5312882.5	3191343.2	2818687.2	1383966.9	0	1313765.1	1729349	1634483.3	1117042.2	0	0	0	1459163.4	1854446.5	1987028.9	1508947.3	3729421.5	3043228.6	2012536.1	0	3222100.5	4023359.1	1268200.4	0	3178682.1	0	0	3978025.2	0	0	3843451.4	0	4737507.4	4297577.5	0	0	6958163.7	1660518.6	5009528.9	4527415	4818048	4162299.4	0	1307013.9	0	1575171.7	0	0	6818673.3	4417285.1	4791836.6	0	0	0	0	0	4569474.3	4854836.5	1416282	0	4843797.6	4403391.6	4557855.9	1454398.2	2310327.1	4015872.2	4487399.2	4364059.5	4292669.1	0	1175124.1	0	6056705.1	0	5879292.3	1648254.9	0	3973858.8	0	0	0	0	0	0	5291334.9	4038679.5	4611245.2	1504899.4	4245905.6	4955795.6	0	3946847.9	2932042.4	5678342.9	5296994.5	4270473.8	0	0	3815925.9	4176292.4	4014274.3	4080852.9	4656248.1	3746360.3	4870722.2	5097632.7	5056284.9	4625436.7	4678817.6	0	4662387	3715825.7	0	3789062.1	5401719.8	3253186	5200214.6	4661560.6	5226801.7	4281749.4	0	4175411.9	1608262.2	3693313.9	0	3775847.2	4346393.5	3243985.1	3705854.9	3837452.6	0	0	4223958.6	4410526.1	3269558.9	3978819.5	1834038.9	3805441.1	3913847	4280186.3	3770187.9	5612975.7	3643260.7	3897991.9	3339974.2	906756.4	2267532.3	2268131.2	3241861.3	2417267.6	3888766.3	3506863.3	3195635.1	4433628.1	3855013.4	4031238.7	4758286.4	0	1600793.9	5371739.8	430251.3	4500642	4040111.3	2891282.4	3719682.2	0	748719.1	3300779.7	3100916.2	0	3698785.1	0	3151920	4451677.1	4173486.1	1961541.6	4731702.9	1903459.4	0	1021810.3	0	1191215.4	2504030	2942808.8	3632402.6	3442174.7	0	2099979.5	2624648.4	3628993.7	3719865.7	4031331.2	1202293.4	1376654	1354158.4	2717817.4	2892619.4	4025724.5	1604898.5	4847305.4	0	2063210.3	1667742.6	1115756	3563178.5	5178102.6	1145114.6	8694775.8	0	0	1833899.2	0	1695268.1	0	4228719.1	2001175.5	3838051	1157203.9	3269292.8	5376150.8	5599804.5	0	4588081.4	1674828	0	5168619.6	1337787.6	0	0	1431229.8	0	5050479.5	1664339.3	1282118	0	1988455.2	5579131.8	2505631.1	3321155	4669328.2	0	3924371.7	5316376.9	1955193.2	3778204.9	0	4415275.1	3993603.7	3376632.7	3216037.7	3334195.9	3206759	3447911.2	1569478.2	1448280.2	6067392.7	2652768.7	4454834.6	4316893.3	0	2411191	0	4473106.4	2617570.9	5686367.9	1658427.9	1617967.6	3845251.5	3178158.9	0	0	2081736	0	3516348.5	1673581.9	5219500.9	2877416.6	2368079.5	2415345.2	3546594.6	4138664.5	1749426.2	4158787	3552533.8	1588328	4003343.7	2686929.4	604325.9	5949578.6	662258.6	630688.8	4391750.6	4646983.9	377974.3	3699837	3431112	2659912.8	4528317.4	4633444.2	4227990.1	4187406.9	4352208.5	5207761.6	0	4532849.3	0	2966011.2	2512132.6	2505384.1	4131228.5	1683654.4	5392484.2	1553519.4	857763.5	999541.8	4645076.2	3705144.7	3635506.1	5070177.1	2661640.2	3201481.4	0	4043452.2	1968338.4	1075016.6	3647636.3	766236.8	616279.2	3094254.3	4065547.4	4848954.2	4327040.1	2743602.7	4053551.6	689945.9	4622404.5	759121	5069199.7	0	3970307.2	4805276.5	3355586.9	2808122.8	4171782.6	4833443	5325051.1	1251751.3	1355904.1	4341981.5	3156422.2	5191782.4	4974175.6	4451049.1	3920253.8	4673186.7	3939718.1	4144229.7	6022135.8	967220.7	1021635.9	5335634.1	5520361.2	4841172.2	4669647.8	0	675312.4	4773452.5	2185784	4333223	4517892.7	3799002.5	1536377	1635782.5	1628911.3	1587732	1718310.5	1701465.9	3628347.1	2790732.1	3016064.7	3907789.8	1995466.5	4982356	1429869.9	0	0	1414332.7	1238036.4	0	2831406.3	1354944.9	4806294.8	3812522.1	4344414.5	2779133.3	6978746	3882932	1831112.3	2665688.1	0	3938584.7	2023552.4	3924222.4	1415433.3	0	6125353.1	4238818.8	3859995.1	1872163.7	4639471.4	5332093.9	3483569.9	1724091.5	1175364.9	4838930.5	3310309.9	0	4641608.5	3869444.5	1527830.6	4191648.6	3373377.4	2247160	0	5004601.6	5033481.4	4022508.5	5773079.3	0	6917290.7	5578556.6	0	2140346.2	1097911.5	4410290.7
Suberate	2033778.8	0	1302947.5	0	4139740.3	0	0	0	0	0	0	0	6270584.5	0	0	0	0	0	1692907	0	0	0	0	4097820.3	6594665.7	0	0	0	0	0	2816654.3	1310405.3	0	0	0	0	4309607.5	0	0	0	0	0	0	3082951.1	0	0	1901532.9	1993321.7	0	0	0	0	0	0	1729810.3	0	0	4287909.8	0	1457549.4	0	2305568.4	0	0	0	3516526.7	0	1958690.7	4566677.1	1634834.9	0	7488165	0	0	2293061.6	0	1653056	0	2050653.7	0	0	0	0	0	0	0	6016096.1	0	7112935	2001066.3	5917217.7	2067897.5	0	0	0	0	1657916.4	2885201	0	0	2621345.7	2375948.8	3238654	1591386	0	1742299	4715521.8	3522335.2	0	3111822	0	0	0	4534157.7	2701106	1995368.4	0	0	0	0	3632774.2	4326773.5	0	3160670.3	0	3397159.2	2996110.5	3684774.2	0	3735005.2	4626660.3	4410479.2	4613738.3	0	3681469.6	0	3792046.3	3631825.7	1020510.6	0	0	3598165.6	0	3928488.2	3668092.4	3652449	3453882.9	0	3638832.7	3627641.3	2991947.2	2728309.9	4225144.9	0	4042342.7	3538808.6	0	0	4770268	0	1218787.9	1318722.2	3952215.3	3345578.1	0	2874357.7	4260009.8	3204883	1866268.2	3932592.2	0	0	698103.4	9291832.5	4020795.7	1627847.7	3627603.1	4261404	1095029.1	3546722.1	0	0	1265161.6	5233781.4	0	0	0	6871589.2	2965791.4	3328756.1	0	0	3597998.6	0	0	0	0	0	2965659.3	0	0	2411155.9	2830696	0	2746033.7	0	3109497.5	0	1629351.9	8499898.4	0	2866482.3	0	0	0	2825260.8	0	1984288	2759616.1	0	2347352.3	0	2810809.3	2814093.2	0	2716538.3	2554052.1	0	0	2801433.9	11144580.7	0	0	0	0	0	0	3121295.5	0	0	0	0	0	1813516.2	2696198.5	0	0	2938365.8	0	2037562.2	3446899.9	1368940.6	0	1824114.4	3091165.7	0	2995101	0	0	0	7182265.2	0	3078959.6	0	3455717	2726449.2	0	0	2714245.5	0	0	0	0	3113535.1	1767092.9	1945292.2	0	0	2237931.8	12838910.3	3894676.6	3261162.1	2997660.2	3296867.3	2721449	3007916.4	0	0	2711136.2	3651105.1	2926511.9	2923355	0	3059296.3	0	3448494.2	0	0	2984535.3	2993797.2	2144923.3	1222790.7	3035850	3004534.3	3302319.5	2487134	0	0	0	0	3176661.6	3242404.4	2921619.9	0	0	2940147	2999600.9	3414867.9	0	3685576.7	2900497.2	1268664	0	904462.6	2991655.3	0	0	2786392.2	0	0	0	0	3183684.7	3197312.2	3510515.5	3026435.8	2987991.4	3054811.1	0	3428090.6	2300768.9	0	3329817	2974469.5	3677495.1	5275284.3	2847217.9	3268074.2	2668758.2	2977662.3	3402677.5	2766991.6	0	3319349.7	0	3079962.1	0	2721499	2532079.3	2853995.2	662510.9	2763867.3	2989616.7	2973141.3	0	2104917.9	0	12316104.5	0	0	8525110	6182083.7	0	0	2138264.6	0	2384233.3	0	0	0	9701375.8	0	0	0	2613583.2	0	0	2588041.8	2638163.7	1741121.2	2253511.2	0	1464798.5	3576478.9	0	4473558.9	2669206.9	0	0	2592573.7	0	0	2571734	0	0	0	0	0	0	5834404.3	2723269.9	0	2541661.6	0	4251841.8	1775823	2975776.3	2249764.1	2254559.7	2643106.8	2544997.5	2041828.6	0	0	0	0	3479229.5	0	0	2582355.9	0	2437808.3	0	0	0	2508534.8	0	2103519.9	0	0	0	0	2684742.3	2351909.2	5144944.2	0	0	1790175.8	0	0	0	0	0	6569535.8	0	2489774.2	2529804.4	0	1449844	6399957.2	0	0	3937099.5	1401098.7	2736429.5	2613292.9	2546588	2962877.7	0	2768566	0	1756668.1	2600692.3	0	3316297.3	2898551.6	2974694.1	3021484.5	2482831.2	3880513.1	2963498.3	4296853	0	2541733.2	2644529.6	1252765	1938643.4	3117221	0	2814774	3508659.1	2772144.6	6305716.6	0	0	3242490.4	2706277.2	2611404.1	2873094.5	2928841.5	3300758.7	0	2911798.8	2648465.7	2709748.4	3241233.3	0	2000354.8	2522251.5	2861925.8	1733429	3015832.3	8139395.8	3039558.4	13982701.1	3966828.1	3860636.8	3816868.7	2857171.4	3723605.3	3146799	4431173.4	4171847.7	3374161	3784757.4	684185.4	1821820.6
Arginine	0	0	1469252.5	2525410.4	963491.8	4009630.1	645471.1	2705629.4	4801499.1	881999.4	0	2464049.8	1337436.1	247568.6	6856991.9	5707683.3	3004748.6	0	1013261.8	736727.7	1613533.3	261119	1918488.1	9670377.1	1490525.1	1797938.7	3541648.5	0	2647111.6	0	1595396.1	4990769.2	3244587.8	2801196.8	0	21647285.4	5433558.7	0	2265646.1	0	1778349.9	0	178984.9	0	3378437	527440.9	2658069.6	2485859.9	553070	676164.2	3917695.3	478016.4	121668.2	222336.2	186568.1	1393460.3	2566271.8	0	0	2674219.6	1500283.8	1762783.1	564055.5	639668.5	6721199.2	0	2627073	1381251.8	2283035.7	3875991.1	0	0	0	0	1503208.9	2270991.7	0	4862165	2034969.8	0	2420735.1	8072353.9	3828184.5	2095666.8	1172910.2	0	877388.8	1136972.1	170767.3	5929217	3082628.6	3163503.1	0	0	6448659.9	3079470.9	0	3607845.8	1943068.3	1145319.6	0	0	6414396.9	0	13024080.9	0	1265694.7	4736967.2	0	384948.9	4347022.6	2297374.6	2604934.6	428361	1280753.2	0	0	2981972.1	0	677850.2	2585790.8	2251298.1	567135.6	0	373167.3	1693344.5	1205762.8	6774820.1	1937427.3	4292519.2	3078396	0	818806.7	6027066.2	0	434069.5	0	0	1708904.1	13431210	7709338.8	0	0	1330202.8	485984.5	1100954.1	1525937.8	804347.2	0	0	0	4200253	0	922186.1	0	2490011.5	0	846399.3	0	1347085.4	2078741.5	2418201.9	4501421	0	10214986.8	2448516.3	382385.7	4684417.7	0	2463593.4	886217.2	3395049.4	3262719	1992771.1	0	0	0	1778147.2	1729188.5	1190859.6	0	263389.2	0	1583956.2	0	0	1894844.2	2918983	0	4779424.4	0	0	1175739.2	1481288.6	2507119.4	0	0	1760283.4	560347.1	1824278.2	3167603.4	0	0	1291650.2	0	0	845027.4	382475.6	959843.9	197011	1910016.2	13165620.5	1664383.9	381784.2	0	3278131.3	903850	2980486.6	4906042.9	6451999.1	4072754.2	2483379.5	0	521203.1	0	3774310.4	0	0	12206371.7	5045665.7	739669.3	0	1179041.3	3944356.9	0	138929	2932045.9	2693680.8	10827513.9	3892330.5	0	0	2979427.3	1532192.4	1155999.7	2042943.6	0	3150947.9	0	864982.5	2176707.5	0	989316.1	3659360.2	1454174	6737276.9	323664.7	6461621.6	1958035.1	0	6228102.9	0	1242307.2	2298894.5	2265665.6	2134308.4	0	224151.4	3879940.3	0	1563525.4	2405086.8	382768.5	0	2268370	2480016.5	0	0	4361207.1	988132.2	2379884.3	0	3411085	0	0	1350840.5	138531.2	2073288.2	0	0	4615463.2	997037.3	0	703857.9	3389998.9	4709774.6	447331.6	17859857.8	2945855.7	108798.2	11527036.4	1849885.8	3385747.2	12250430.9	55781.5	0	0	0	2919204.7	0	0	3862777.9	4196701.8	3022885.3	1319196.9	637512.3	1280523.5	496685.7	1521273.5	4475824.9	3815655.1	2593007.8	1457427.6	213862.8	4671106.2	29738.1	0	4297997.5	73854.9	933797.3	102381	0	1486505.7	2372685.6	0	0	3609838.3	6320584.6	1113526.9	1335055.9	2376052.9	0	74793.3	0	3018053	2183964.9	0	0	0	0	828125.1	4150574.8	0	1302237.5	848377.4	4187609.4	3165482.4	0	2750084.9	0	0	3057913.1	0	2663691.1	1895582.3	130350.2	706347.4	1144500.5	0	0	823382.2	2691801.4	2763114.2	484864.6	3405428.3	2500972.2	5831854.9	0	330335.6	434391	0	0	4008855	0	1062415.1	0	0	0	595249.9	1038292.7	3170895.9	12621292.3	396494.7	1204058.3	664897.9	3706689	462767	3295637.9	911856.7	3180985.4	3909714.9	1539808.8	22928750.5	0	2067540.6	1010413.9	410721.3	504994	619344.8	610429.7	2240957.8	716338.5	299465.1	2011222.4	2092839.1	1295248.5	2237768.9	5904753.5	341157.2	974086.3	0	0	1008718.3	2072728.5	0	1658492	893506.9	0	0	37561.4	2435625.7	2009679.4	701076.4	0	1584372.6	1535968.4	2003349.7	985597.2	0	1386875.9	2715387.2	0	1658574.3	0	3083594	4992699	1094650.3	3338902.2	1730276.3	4164970	0	0	1204612.1	0	2892854	990354.8	2131182.9	1777807.8	1105211.3	2220458.1	0	0	1194022.2	2095090	3247597.8	0	1344002	1417550.8	1639191.6	963064.2	0	1024040	0	883458.8	1349819.6	2522805.8	3136985	1544028.6	24961665.1	1276077.3	1110531.3	0	2685043.5	1462822.3	2589593.5	2436106	1499844.1	1011260.1	1973227.8	957847.9	2593722.5	1728950.4	2359848.6	1395578.1	925590	2296606.8	0	3126523.8	1420920.4	0	1051366.9	1373113.5	1799646.3	1788967.3	1532970.3	1051338.5	1243668.6	1467488.2	8101769.6	1235443.6	1737544.1	0	2814420.1	948650.9	1653080	2046301	1156556.1	1277869.6	1233619.2	1628041.8	0	0	1279183.4	2549316	0	1616379.4	1613341.5
N-Acetylaspartate	0	3620605.9	1525778.5	0	1571541.2	1396267.9	2228926.5	0	0	1315421.2	0	1162657.9	0	0	0	1110567.1	1151265.2	1142007.3	1302059.1	944601.1	3280596.4	0	2448318	1957093.7	1391989.4	935929.4	3299740.9	3001414.7	1655570.3	0	2930422.9	1247573.1	821778	3077276	1194133.7	885123.8	1431178.6	1072825.5	1772176.3	767203.9	1643547.9	2228508.7	0	2153328.6	0	757897.5	1501806	0	1475975.9	501955.6	0	0	736812.2	889504.2	636633.8	746862.2	1031892.7	1517877.1	1028160.9	1293880.4	0	1204751.1	1134591.1	1173055.4	1622113.1	1824686.9	1222836.2	1356369.8	1911596.3	871391.4	1629584.8	1061588.3	2463196	0	817993.6	1573504.7	1441375.1	871624.1	996422.6	0	724228.4	2812162.4	0	795557.8	3386000.8	578493.2	1091323.5	3494084.6	0	0	1527195.4	1723684.7	2127244.5	4343914.2	1119633	1026961.1	1328902	1543891	1087244.9	1070740.3	756006.6	1203073.4	2062075.1	2485599.4	1741722.2	2023564.2	1338551.2	1469157.2	1165466.9	1035132.3	999290	958657.6	4028262.4	1521566.7	1444960.5	1310042.5	4082661.9	4504203.6	1096701.2	1270018.7	956941.1	0	1031867.8	1020674.9	1547684.5	1947656.8	1675599.6	1355945.4	817310.4	2141142.1	1156816.4	1193639.4	1444540.7	1000618.5	1053369.4	743453.4	965850.2	1636330.7	1556447.3	3453241.2	1594083.5	1444011.6	905156.1	2106010.1	1131877.6	1092574.7	1120191.7	1046033.6	1162068.8	1957564.6	1563302.8	1283197.4	1106694.9	1238694.1	1442524.1	1404287.8	1543315.3	1166872.8	941788.2	1449929.8	2191523.3	379251.3	1187149.7	1355063.3	2632732.4	2643063.3	422755.9	1881537.4	1318776.7	2345668.7	1150396.7	1239242.2	1193504.8	1863509.1	1563873.2	2125430.5	1295056.1	1226586.2	1166411.5	1429037.9	1162336	1147414.3	1066750.6	1094330.5	3366175.5	2184834.1	1489734.9	1604906.5	1455522.4	1824662.9	0	1437866.8	1766625.8	1064315.7	6207735	1356853.7	1612002.3	1242290.4	1435554.1	1394513.1	1472750.2	1562680	1491621.1	1288524	1236651.6	1334218.8	2112261.4	2239324.7	1583194.1	5308273.6	1351902.8	1490566.4	1352609.3	1507428.9	1484785.5	1356278	1142167.6	1124611.4	1383808.3	1354232.5	1232125.8	1182961.3	1401124.2	1428928.8	1921303.2	2492105.2	1355095.4	1315974.7	1616670.3	1181555.5	425010.6	1143657.2	1327563.6	1270740.4	1342788.6	1610047.8	1287951.1	1645303.6	1660801.5	1574214.9	1262311.3	1237187.5	1436172.5	689141.3	1398912.4	1393024.9	1407594.6	1404825.6	1582092.5	1471830.5	1387361.9	1098324.9	1377737.4	1604708.9	1394597	1453337.7	1376935.7	1372681.3	927246.9	1112208	1555980.8	1339507.9	1625093.7	1223193.5	1348674.7	1594558.5	1314729.5	1229591.4	1314719.6	888365	1292290.8	1427585.6	1345071.4	1199759.8	0	1015587.5	0	1522550.1	1317660.9	1156075.2	1367173.3	1461328.2	1359758.2	1243352.3	1302053.9	1741914.3	1224167.5	1292143.7	1699089.4	1586908.7	1430761.7	1313117.4	1294348.6	1623384.3	1395139.5	1479736.9	1323198.9	1328930.9	1295404	1414495.5	1912634.2	1422852.8	1384602.3	1283831.9	1431559.9	1391585.9	1290351.8	1514521.3	1349995.7	8656707.8	1264064.3	1392610.4	1487593.6	1836718.9	1393167.5	1294639.6	1409743.9	1371187.7	1345687.3	1296160.2	1345086.9	1330426.5	1277867	2655091.5	1340162.6	1434865	1382798.7	1391660.1	1351911.7	1317089.8	1383010.3	1352872.3	1358464.7	1765468.5	1304678.5	1294520.5	1556059.3	1380860.6	1364905.9	1406304.3	1396664.5	1724712.5	1352693	1525856.7	1371536.1	2322163.3	1474825.1	1271458.1	1348334.7	1479684.7	1428652.4	1387032.1	2214307.2	1379131.2	1356966.8	1387661.9	1341553.9	1525242.2	1353583.8	1342307.2	1412605.9	1476572.1	1366072.3	1399684.5	1343437.6	1287077.5	1580863.6	1198004.9	1699638.2	1401725.5	1090487.3	1045359.1	1621260.5	1520393.8	1445272.4	1481212.3	1448526.4	1306864.2	1657817.1	1517107	8467068	1496749.4	1419864.9	1475833.7	1358976	1508114.2	1411877.2	1431576.4	1330094.2	1443888.8	1358038.5	1424712.6	1490187.1	1527640.5	1430372.4	1479181.5	1995034.4	1453351.5	1524702.8	1531951.7	1506544.2	1411327.2	2360729.1	1381069.6	1469452.2	1482053.8	1278476	1645785.9	1503817.6	1506303.6	1434606.8	1472018.4	1493803.7	1450850.9	2144332.9	909797.2	1439177.8	1618532.8	1438722.6	1420135.9	1373589.1	1413084.6	1282023.7	1362202.9	1437004.6	1536418.8	1402639.2	1415202.4	1359155.6	1505579.6	964146.4	1316097.7	1369437.2	1462180.7	1361921.6	943944.6	1327258	540847.3	1486632.7	1671090.7	1504681.7	1388605.5	940644.3	1360094.2	1309843.8	1221280.5	1409602.4	1385923	1419046	1401396.8	1431564	1344722	1470125.4	0	1474356.4	1418448.5	1462867.4	1372037.2	1366910.5	1852278.8	1227032.6	0	0	2075064.7	1412729.2	1023130.5	1018465.9	1341360.3	1613304.2	1135805.6	2065235.8	1116578.6	2253536.4	1221756.6	1046427.3	1217019	1164381.5	1085888	1462671.8	1114303.2	179098.4	1486062.6	1332686.3	1155602.2	1327284.1	4447269.3	1383989.4	1291665.9	1166808.2	1607914.5	1112267.7	1485479.4	1090488.9	2174104.9	1244531.8	1180747.7	1149627.2	1545208.2	1221263.1	1930288.3	1188583.9	1384840.8	2118814.3	1360931.5	1138953.2	1207916.2	1402633.2	2198218.7	1257943.4	1353576.3	1018741.3	1709853.1	1435215.4	1314620.6	1601264.5	1306966.9	1728496.8	5628035.2	1673650.6	1172941.8	1448446.5	3488572.5	1516844	1446597.7	1466778.2	1134032	1466281.6
Fumaric acid	0	0	0	0	732930464.1	697849542	173479678.2	123979245.5	0	0	639413309.2	1068582722	0	376748734.7	455483222.1	556595002.9	670494317.3	670793979.5	0	675457586.2	468494073.3	316412032.9	897182539.4	0	0	0	0	141230769.8	156963966.1	122607955.8	283093188.9	903188201.5	285929690.1	0	0	0	987280722.9	511613286.5	396805521.1	435140451.8	42808085.5	770426201.5	704128728.5	552503868.4	0	0	0	0	0	675613647	0	0	371613262.6	0	461694282	124267960.8	757029777.4	135920146.1	494308433.5	866485959.5	31295750.9	856871953.7	629056102.9	938522627.1	323077348.4	0	83661478.6	388739500.7	0	0	881501636.1	114393674.6	263650365.3	503533827.5	1018114166	146504613.9	324551338.9	0	30961363.9	0	484653075.3	0	0	0	0	786375305.7	0	487854215.9	110559130.1	27919291.7	0	0	55764006.5	43050558.1	0	0	47043035.3	1163296767	327464116	41082856.3	517640680.3	39825012.8	1059440262	338587935.1	44616637.9	424781193	99726473.5	563003113.5	568214950.5	41224826.9	39820895.5	776983629.6	39519315.9	38446089.9	41757897.3	787493000.4	40337464.7	0	46644041	40782358.8	452031317.6	333051536.9	42647370.1	39085545.8	39292405.1	1064929856	50973825.7	117455741.6	336794490.2	40102578.4	372960937.8	119283298.7	1389393115	82664772.4	405267969.8	235340172.8	290388857.3	663855862.4	0	0	42442525.8	877444703.5	833845298.2	859533790.3	41521161.1	550841856.3	872527082.7	537120289.1	588101002.6	706358726.5	88074607.2	44477651.8	1157827391	259709014.8	355812089.8	390778543.6	181569425	40132237.9	420331745.7	41250136.8	38745924.8	0	241048908	0	43672188.3	355708011.3	86970220.4	545822206.9	568987112	40359639.9	41152383	790011694.2	40771152.7	38421313.7	40502993.9	666552327.4	440369742.1	50062468	342357875.8	0	158013046.8	928827778.3	39232666.8	0	40677455.9	39683153.9	38542800.3	0	285698508.2	1013709612	178199297.4	37783434.7	217499632.7	594521433.5	44974872.1	664493659.7	799449039.1	759977707.1	742836625.9	511266507.2	105887745.1	443807762.7	653158381.7	38639627.5	362128634.9	1125800315	439872842.6	210531164.2	38381689.2	38590787.8	143367666.4	1369459190	38688427.7	757081362.1	38354395.9	40733784.4	46050450.9	490537955.6	38791398.6	370425570.9	818851094.9	38887293.6	724248975.8	38320034.8	39071698.1	125479674.9	697545220.4	73473714.9	41470083.4	505512972.7	38362584.1	39248132.9	397727321.7	86852057	321859826.3	110299208.1	105010701.3	833531956.3	499748085	889576277.8	40291211.9	142183670.5	268031079.8	38992688.5	42112764.7	40615113.3	202668920.3	59977791.8	280055161.1	621130426.5	632190873.5	643289290.9	41314061.3	0	842373762.5	40846808.9	1201384893	39548736.9	40883131.4	161851161.4	37986425.1	37957706.7	43581575.2	415447659.7	449236663.1	713634841.1	900930155.7	1038822653	42114953.9	39758915.4	712812877.8	40094108.2	65952659.6	355481056.7	37391741.4	0	0	0	0	0	229016215.4	354057632.7	0	353320868.4	126233727.6	0	608895226.5	570873980.8	0	530860051.9	0	626066685.1	44202736	0	0	714336219.8	0	454744010.5	1180293188	231908939.6	0	0	370505859.1	709209901.2	0	581973304	89150667.5	0	344179721.4	0	1001680661	952288226.1	398106064.2	0	500682285.6	0	77511356.2	337683641	632599097	226143210.2	639272864.2	0	0	0	1199744109	566453049.1	394916583.9	257996829.4	306992193.6	0	0	98084619.9	687757781.5	1106286454	129128898	733546282.1	375364659.6	0	0	461596636.2	884177849.5	228888835.7	638308033.7	311072172.1	0	0	0	999803720.8	0	38456202.9	0	20450598.9	593220925.4	925057390.7	123394308	729412009.7	407203147.5	641130626.1	114313560.3	347336588.2	125269312	0	665427505.6	610928731.2	459805981	407681094.5	0	0	0	0	0	0	398088440.6	131879865.4	319379839.7	261475349.3	1013518481	197829336.3	38654862.7	833555350.3	0	56371355.6	426476379.8	851409477.5	282220643.2	108788651.4	740686200.1	841143093.2	618521834.5	0	248980190.8	0	0	0	511593560.5	176844161.8	0	388519720.3	399942711.3	700996044.5	112756904.8	194655423.6	632077878.8	644330779	0	0	0	0	0	776448519.6	727508629.5	687320638.7	834789491.9	428865205.9	0	0	713891406.4	238441400.7	777560729.2	745661340	761231592	788413143.1	0	673110652.4	80338942.2	214056767.4	838408938	393556058.2	538963340.4	519904516.9	206016307	164509515.3	894535642.3	0	328573255	380938146.7	0	0	546633563.6	441866716.7	0	17828699.3	596050972.3	601387523.5	0	333577824.8	0	676682145	230367452.4	276988806.6	1075723602	435223855.7	0	175090302.7	648935730.9	647007985.1	336524850.7	1134364438	0	0	31753614.9	31274682.1	0	35389222	296526857.7	906575739.1	1179043101	290436324	33218786	623587295.4	34621265.6	706459432.2	404673826.4	31045037.7	123920199.8	617923335.1	544580004.8	31045801.1	32366668	125737436.4	651933305.1	67193318.2	201004270.4	912272021.8	33769746.4	34811258.5	834915961	702270665.6	806933385	151462983.2	33292150	739987577.2	32862565.5	194109993.5	220524655.3	417126985.7	248447742.9	1204777915	551504146.1	209728967.3	964310632.7	350400351.4	129908293.8	1175747480	31885082.9	44262639.4	0	33927219.2	33057694.1	446669011.3	859763587.6	453169959.3	31901323.1	375843248.6	32086919.5	432326429.8	840787916.7	522939005.2	355475156.1	32048744.3	33250791.6	31937014.8	256171125.9	32975320.5	95735693.8	35014376.2	31186254.6
Caffeic acid	4107353.4	0	4731217	0	4875772.4	2861455.3	2405979.1	4099468.4	5385665.4	4911432.9	3943006.4	2204900.6	6055508	3588724.9	0	3029441.9	2006977.1	2451227.5	0	2705115.9	2675216.4	2285568.6	1967875.4	4761007.3	0	0	2396608	2292084.9	5234034.7	2241052.5	2663312.4	2448436.8	3007734	2908684.7	15049194.4	2043146.9	4573584.5	0	2905098.6	2158275.5	1949719.9	4681436.9	2271670.2	2822496.7	0	4002002.9	0	0	3587286.8	1492193.3	3652164.3	2230420.3	3229043.3	2520885.6	4207778.5	2425574.4	2506301.1	23405502.8	2319504	0	2322166.7	2165669.1	3415750.6	5849290.7	2768558	4760088.3	5432641.5	1553837.5	1902797.1	1890990	24497984.6	2627190.6	2549468.9	2279925.9	2377579.8	9978645.9	2179222.6	5108222.3	8667206.4	2555830.6	9258989.4	2185670.5	4276327.4	5289436.2	2173499.9	5202148.7	1905539.8	4710651.2	2656624.5	3340919.1	0	1891743.6	3206416.1	0	0	0	0	0	2405772.8	4183652.3	0	3739004.4	1733363.1	6285207.6	0	15172752.6	0	0	7064443	0	0	83688.5	0	0	0	0	0	0	0	2887078.3	1489823.8	0	521985.5	3256467.4	0	7315363.6	6024470.4	0	9295790.2	0	2797131.1	4907710.8	6499977.9	6840775.2	1628476.1	4931262.1	7412188.3	1220302.8	0	0	0	0	0	5437379.1	957765.7	7852741.1	1155344.1	613524.4	0	863689.8	4866936.5	0	14135576.7	7987805.6	305385.4	4570820.9	7609457.9	0	0	0	0	0	2332317.4	0	0	5415255.5	0	0	8081426.7	3689886.5	199660.7	852212.1	0	0	0	0	0	10413404.2	1145666.2	1441036.3	2749627.6	0	0	0	0	0	0	0	0	4291995.6	26694042.2	6684945.1	0	5580114.7	0	4186229.2	2678442.3	4322826.5	0	3468212.3	0	4671998.3	0	4420363.1	5495476.9	2231678.6	3604656.7	0	0	0	0	7317383.4	0	0	3028991.7	3578380.3	0	0	0	0	0	0	4915480.4	4491037.2	0	0	2013274.2	1250248.2	0	0	0	0	3846328.2	4863025.2	3442540.6	3390482.8	2868882.6	3841937.4	1677438.1	14128243.9	0	1675821.9	5266947.2	0	3977552.6	0	0	1600609.2	4431887.4	2622901	4314720.9	2993040.2	4457622	0	0	0	2286518.3	2170855.8	0	0	1398966.6	0	4966516.6	1978153.2	4696008.4	4028973.6	0	5427429.7	0	0	0	0	1463123.3	1634353.8	0	0	5009132.8	4474357.4	0	0	0	5776545.8	0	2878818.8	418024.6	3249045.2	0	409355.1	2162938.6	1078641.9	1143431	4974250.9	5056982.9	6238467.9	1933474.8	301615.3	3785938.5	5623288.5	0	0	0	0	0	6667069.7	5231796.7	7263127.8	4798100.7	0	24558.9	16391534.1	0	0	0	3710296	472676	0	16949093.6	5653211	801757.1	5396552.6	0	2277872	0	0	0	515159.2	7355755.3	6300529.1	2763502.3	0	5498959.1	0	1587246.3	7847200	5981755.8	3239344.3	0	0	0	0	0	1771964.8	5443555.2	6999686.4	0	0	0	0	595750.2	0	1359791.6	445744.9	7070876.9	5129872.9	7189339.7	2753376.9	5250016.9	4834977.9	0	11113662.2	0	4356881.5	0	0	2642497	5242564.3	0	0	0	4030186.6	0	0	3568925.8	4228928.5	1253255.8	1208513.5	3046353.9	3754718.1	3203835.5	0	2673738	2248130.3	1144780.2	3468989.5	0	2266758.1	4123574.1	6459426.1	2620159.6	1312253.4	1291726.1	24162963.5	4721151.7	0	2225367.7	1273577.3	0	3546010.6	5615888.9	711088.6	5419825.8	2002432	3961062.5	618491.1	6797609.5	8965613.3	0	4623910.8	1029448.5	859025.6	3249781.8	777829.5	1647812.4	4392557.8	0	5674386.2	1731166.9	3487042.5	0	1624069.3	7726336.8	6471249.7	2106946.6	5548354.4	6390102.1	4733683.8	3791361.1	794183	1904249.7	6734880.4	8000636.8	914322.5	1470601.9	6307719.8	5744318.1	2099650.4	0	6010307.1	0	0	3915995	5138441.4	1245762.1	5717279.9	0	3430139.5	2137186.4	2086843.9	7134838.4	5401765.7	2054198.5	4075715.4	8162429.3	21066213.4	0	3088620.8	0	1734180.5	0	0	5154836.2	2845503.8	4095337.7	5280327.9	2821611.6	0	4642099.7	1563585.7	0	3697403.3	708860.9	0	5136236.1	5879256.5	3816383	0	315062.2	45974	14625489.5	2213415.8	6054313.3	208131	0	0	0	2608689.9	7770928.4	0	5334056.9	1111509.7	0	486453.7	7293427.1	4037762.5	0	1221215.3	0	5034927.2	0	0	9087385.3	0	0	0	6840472.6	1971878.3	0	4978037.2	10404789.6	0	0	0	0	5197778.5	56075.6	10392848.6	10399340.3	1668441.2	6056710.1	0	0	0	14078322.7	0	3292993.1	0	4220218.8
Phosphoglycerate	0	0	7050088.3	8913501.4	9905976.2	173230	0	40689056.6	13542071.6	6925530.6	0	6356374.8	2180135.7	5262763.3	15712264.1	0	6986936.3	8270360.1	7310726.4	0	6511338.5	0	529896.8	18820534.2	11393474.8	16571307.6	1372868.2	7887841	10808223.1	11090896.5	641823.3	0	10091797.2	8296450	0	35657242.7	5714393.6	4759167	9929860.6	3760562.7	8553005.7	6348910.9	3362838.6	11456175.4	4976720.4	9850232.7	9386026.6	20911039.4	4010612.7	6196877.3	6377099.4	0	33139439	3480744.2	1634060.6	15984139.5	0	28033651.5	0	0	3102505.5	0	0	2515325.5	0	22289680.1	16799009.5	8476296	9271340.2	6756989.3	17742951.3	921752.6	10532483.1	0	14846497.1	13500800.4	0	5569024.1	7050250.7	14772325.5	2259700.3	15257774.9	0	8785522.5	3050052.4	11917415.7	272228.4	12376426.7	0	10966326.8	10791818.4	2377269.4	0	0	20301320.9	21025643.6	69268770.9	2416970	2516620.9	2841951.9	0	3066434.9	0	60520966.3	4376575.5	69559821.2	9738582.5	48950244	1591379.4	423210.5	1349260.3	3353864.6	1969879.6	5426890.7	5798628.5	5495100.4	2856675.4	22822582.7	4197162.6	1401289.5	2212281.5	0	467580.2	5086321.9	1312834	2507962.8	42212266.3	35365744.4	1363206.8	87334969.5	857781.9	956618.6	160137.5	2465654.9	1184077.8	4320896.7	986813.8	3284442.5	6438118.7	24429037.2	6224796.8	0	951829.1	8522516.9	1609102.7	0	2198102.3	0	1189029.8	2480873.3	3004010.3	29441947.5	6736998.2	0	121915.1	16859583	3096680.8	5709947.4	0	3279469.9	2248031.4	2701082.4	7593356.1	63862055.5	4064144.7	73267493.5	12514055.9	48439034.7	189360.1	1278458.5	3224231.2	4609457.4	0	3672640	6986460	6210046.2	3904168.2	130433	713558	36245459.8	863131.5	0	1633418	0	0	0	2061922	13962887.7	9631613.9	20933661	5009417.2	38988299.4	2003672.4	12412672.6	0	26408624.5	0	4170428.2	4078518.5	25148312.4	12184247	0	7198061.4	11928359.1	16005504.5	2531079.2	3179662.4	17725806	8143701.8	11698663.2	5735485.9	0	4330760.3	0	7974515.7	23297778.7	27840151.2	6198796.5	4761546.4	903505.5	6768945.2	14681129.8	93294	1544968.2	5802753.9	21626248.9	7540744.7	17713380.5	11153724.1	10243940.5	3767082	1831830.2	0	13995326.2	6656566.7	13696793.4	0	0	13575818.7	0	17527887.5	10492528.6	7951394.5	6297681	10716415.2	4379334	17821059.3	9734406.2	0	16794160.2	0	10506123.4	1762201.2	1443094.9	0	24937411.7	0	26063.4	15549490.1	11758862.9	9497507.6	11660299.7	21004549	4473007	2247837.2	11332246	588176.3	0	19283537.7	26403368.1	0	3203317.9	3133214.4	0	656277.3	579613.7	0	0	39336425.8	2842086.9	882768.3	0	0	8161250.7	1963755.3	7573334	4548687.4	5149204.6	33155774.7	1568188	106883978.2	5716905.4	1137971	409250.1	9142959.6	54450.4	1756492.8	5384941.8	19520485.8	0	50738117.2	0	25481749.9	3166672	1996191.4	0	3321413.5	4510835.8	13947370.7	480085.4	14808263.6	8055836.3	53646685.8	2598067.1	640637.5	0	2492752.9	0	0	2086960.3	8187638.2	0	4036443.1	3114830.7	41636258.3	3133634.7	0	2184942.6	0	4157473.1	1112585.5	0	882227.4	4522369.3	11282356.2	20356798.3	6556559.9	2272515.2	2888803	3975604.1	5508803.7	3446644.1	0	0	22110	27685611	3484871.4	48675496.5	92867954.3	0	233800.8	0	5176120.4	0	2474800.6	1784999.4	9845610.8	31540851.7	7520115	36694354.3	0	1372843.9	0	4746097	0	0	20097614.8	0	0	0	1937909.6	3596460.2	0	0	16154363.7	8938189.6	7317156	10246922.7	12424687.9	2186720.9	823354.6	25111195.5	11408566.2	35925744.4	0	11816487.4	17203874.2	0	0	0	19943255.9	9715865.7	1406323.1	13267875.9	0	15656240.6	10732851.9	12609282	0	0	15426932.2	6384328.5	42886484.9	0	26026608.8	4942991.5	28120881.2	6302010.5	12601377.4	1768690.4	4868391.9	4674892.2	10631684.4	4614720.4	17523467.2	1269611.7	4839255.3	12150148.3	31997774.8	0	88974	0	10569469.1	0	22095536.9	14101058	0	266412.1	9201614.8	0	1689797.3	8186969.8	14047132.1	7545434.3	9873883.6	12249148.3	15311531.5	2981749.1	1128056.6	9511355	17926267.6	7024470.1	15745152	9138522.6	5985064.8	0	0	0	103335.5	0	0	398151.6	4430068.4	0	16392722.4	0	19780770.8	4637077.5	11483298.2	9058492	0	0	1040695.1	25799149.5	291534.1	2527760.2	6181981.8	0	11659671.8	2868602.3	0	0	33829895.8	2023945.3	2953886.9	23829127.3	7716203	8443047.8	1898893.3	0	5053989.4	0	432961.7	3729482.7	32976957.6	2415037.2	0	20541775.7	1315774.8	4613616.3	3585730.3	3294751.7	16314760.9	0	2121731.1	7351252.2	43789780.8	0	1448399.3	53461726.2	2681547	0	699279.4	4305346.3	7048744.4	2474326.8	2794674.7	2659083.4	0	0	0	70727424.5	4300642.6	0	1896428.6	7123594.7	6192869	0	1126418	0	98192940.9	7166997.7	2410118.8	70884459.4	14389021.8	3980067.6	2607330.6
Azelaic acid	12294240	2855458.1	22896737.8	25809442.5	0	0	3773713.8	2297630.9	2073975.8	0	2234248.2	0	4079952.4	2664969.6	0	378310.5	0	0	0	9494847.1	997847.3	0	2185413.8	6496873.7	27477356.4	26194667.9	0	0	4866825.1	373330.2	3871372.7	0	3031609	2155564.3	1515906.8	0	535586	0	5806167.7	0	2177929	0	0	5147772	5675440.5	9281177.4	25180032.3	28939152.8	11308030.2	11439643.8	11405164.3	2877905	0	1168344.7	0	0	10801583.2	7941022.8	12559852	4869499.2	0	11411898.7	4433758.8	0	3529088.9	56901752.1	0	10140899.9	22654905.4	29560078.4	0	3755761	0	0	0	2374832.6	12318581.9	10927513.3	12440093.9	518709.1	11678057.9	2055931.9	12225111.6	3276959.3	8873394.1	0	1933651.9	12594001.1	893313.2	0	27532323.1	25082651.3	0	0	4736214.2	0	8126651.7	0	0	0	0	11644538.9	12067842.9	9315428.1	0	8584571.8	16662379.7	12748547.4	0	0	0	0	20787675.6	15402450.4	15428995.3	6951688.2	29601866.8	0	0	0	17394774.1	15085839.4	0	3203180.6	0	13662808.4	13645833.5	7722015.6	0	13751632.4	18962513.4	1099527.2	17331347	0	14853863.9	17539038.1	16572614.9	15826997.5	14948103	0	0	6932648.8	16038307.9	0	22987421.6	15353013.5	17828615.1	16607100.4	553753.7	3996471	12197784.4	12876379.6	1053859	16253952.6	4303231.9	13771437.1	983404.1	6553742	0	0	26527110.6	30436256	5052050.5	9053206.2	3570406.3	13750170.9	28089188.5	14413937.8	541344.5	0	4265808.4	0	19163645.2	17113102.2	16565781.3	8576323.3	781129.9	2224773.9	11516613.3	17009332.3	19912868.9	16511207.5	26479820.3	33008202.2	0	0	23032204.8	30879028.7	15880131.6	16839274.7	0	4561957.2	0	0	336491.1	0	0	4496605.2	13793004.8	17163296.6	14316738.7	0	15307406.8	14758999.6	0	0	13628736.5	0	20451442.1	27453512.8	0	14947055.1	14804190	0	0	0	14748487.2	4903040.7	14770683.6	2028326.8	1686357.4	0	0	14600125.8	0	2020754.8	14424360.6	0	0	2112392.3	26162131.5	32433175	13705412.4	0	18690467.5	24532856.3	0	15874491	0	0	0	1562570.4	0	28074809	0	0	0	900302.1	14813061.2	0	14913310.1	14802627.9	20364448.4	30225216.7	15738688.8	15574061.9	15679501.7	424208.1	3539455.7	14755022.9	0	0	2299940.3	0	0	14169880.2	14117081.3	0	0	0	15828229.3	0	9171510.6	14430251.9	22665534.8	24445572.4	0	0	3218726	30210395	0	2360619.3	0	0	22202290.7	17612730.8	18670546.1	19086248.1	13657092.4	0	0	1884290.9	0	17509520.3	0	0	5203400.9	2542900.2	15179551.9	0	5885863.1	26384685.6	14463505.8	16780067.4	12436870.4	0	3226248.4	0	4157481.2	10532703.1	1232564.6	404783.5	13897891.5	21227603.9	0	0	18619759.9	0	18846905.6	0	17110552.2	9182916.8	19743164.9	41739461.5	14656794.6	0	521678.9	19211823.2	17508336.8	0	0	0	17611237.2	15228772.4	18348335.8	0	16513818	0	0	17653990.3	0	4513382.8	16169732.7	0	16002484.3	14764765.8	15245208.6	15221831.2	12559882.8	17902893	1481479.6	16225660.1	1095382.8	17966668.6	0	15311090.6	2537086.3	14532852.3	3917920.3	0	0	0	15585371.5	16824271.8	14676806.2	13351573.7	11536163.9	26615015.7	0	0	11074426.4	13920179.4	9597935.2	9157075.8	9395662.8	5256372.6	0	9592107.8	5705189.8	0	102398127.2	6088511.3	9526367.6	10606959	6383086.7	4971781.5	9687225.8	9237759.6	9669649	10216745.9	7399648.5	5770736.4	11905382	15206130.2	9647256.6	6923760.2	9731852.1	0	10341518.3	5727995.9	9951799.1	9331296.3	9626214.2	0	5657179.3	9556881.1	0	4960740.3	10087765.2	9660716.2	9600820.8	10291438.1	9527102.6	9312388	10811855.8	16217496.2	9536983.3	0	0	9460347.1	9382719.3	9342120.1	5836326.2	9499170.8	9686796.2	9877019.9	9412814.1	5991582.2	9262632.8	9508790.8	5499351.9	9256993.5	10339913.7	9274555.4	4954208.8	5694956.8	11723041.4	14771223.8	9216925.9	5146415.1	0	11313616.6	6481832.6	9364262.2	5355000	9165379.7	9020993.9	9167722.9	9473648	5354739.4	5117953.7	9443700.1	0	5232473	0	9119418.8	4503438.4	9218486.1	11245818	15957870.4	0	0	11127510.7	2843052.9	8843059.2	8316654.7	8919396.7	0	10403823.9	0	16486581.2	9668971.1	7374887.6	0	10433625.2	8023302	11125071.6	1243585.5	124641.9	11559980.7	0	0	0	8935106.4	8738475	24191205.6	0	9440433.5	11028763.1	9750487	12691562	11105967.3	66089025	0	13197495.5	10085323.1	943931.8	10597537	10724748.9	4815381.6	10474914.9	11452920.4	4995270.9	1196740.3	9446265.7	11318536.3	13728796	22402208.1	8370292	10217435.3	0	5781150.4	15845123.1	14727146.8	3487365.6	14746618	16304641.8	15880170.9	18534343.6	0	12544392.3	18077990.2	18000849.6	12695277.5	5929667.5	10291529	26088931.9
OH-FA10:0	0	0	66600216.3	65155145.4	37069836.5	22001883.6	0	46847505.9	152497773.7	25638330.2	80545272	118284675	88051970.1	12590161.4	100256661	0	21495153.3	149919063.4	12120849.8	34718568	153920750.4	6516688.2	4365351.2	73851950	77579534.1	63026323	139310630.1	167827834.7	169165663.2	63450141.6	16319676.4	15460018.5	126097828	206734499.5	69431361.1	61903945.7	156626994.8	78760993.1	120286819	4989730.4	42297109.5	19237327.2	0	76045851.5	238836033.9	133223338.9	76253957	72304767.5	19264995.8	7894805	24654143.1	99925839.8	73505902.7	235996904.9	0	209174042.5	0	156595775.5	0	0	2822115.1	0	0	66140866.3	13352558.9	144793945.6	117848738.8	0	73459727.4	72983022.4	89276214.7	247082130.5	81860434.4	6273306.4	26684854.9	80052234.1	126116472.5	158101148.1	23891558.7	132343520.5	2648633.6	141664791.5	11272063.7	119823454.3	532992102.5	40136021.1	124870627.6	0	71286374	0	87421768.2	79585190.5	0	0	84185296	131028084.3	113491832.8	273991616.9	116203423.5	163303869.4	14820086	158943864.6	18058491	32110497.9	64206461.6	6261250.3	6616603.7	46036486.1	8488961.3	139961666.1	230813271.7	118545433.6	109111072.2	0	79075564.5	9064269.6	72428143.7	160783874.3	152668655.3	74480754.3	15934647.7	26752354.8	172080269	83955324.1	14927850.2	0	83931303.6	75709625.8	437750687.1	114588345.6	6451573.8	62146283.9	0	37198160.9	0	234766055.2	35573751.2	4861483.3	67706144.6	149439311.1	140256336.9	20538394.5	2076994.7	44192783.3	3804604.9	0	0	100058960.7	14164222.8	0	29436588.5	241690332.5	177394503.2	7720256.4	9512461.7	87073237.9	34908375.3	62958420.2	64283575	308578657.6	62088021.3	67734703	39437090.3	19601552.4	73742240.8	31337741.2	5374311.2	48675300	10197904.8	144830635.5	254238066.6	125582733.6	115867959.6	0	78476619.1	6743592.4	79093429.2	101805562.1	154431342.8	39872543.5	11006516.2	0	83642366.7	73369764.7	0	0	79312739.9	76008654.6	42702862.7	106297367.4	162739131	384127314.5	54130793.4	1813436.7	457777424.4	41269397	13614729.2	0	14620916	172907343.5	27343889.9	0	46034609.8	99157621.5	1688733.2	0	40529209	110922115	78163492.5	76758423.6	166761195.6	0	60665407.3	0	105433261	151030974.9	11728639.2	59552542.6	60957187.7	93065982	204293984.3	156401403.5	3295740.3	71262013.8	47951886.9	74928683.5	10300631.6	265165990.6	5269623.6	76681404	86035420.5	76568070.4	0	61305034.3	162051863.8	294236582.2	102604183.5	53080330.5	0	56157542.4	73822089.5	68857073.7	50660307.5	77436018.5	13490265.7	103616893.6	211398285.1	113278872.3	0	86971369.7	30103236	15820711.4	83633882	83417042.2	7881753.7	103887743	15017001.6	136005752.1	135024387.9	0	42271474.6	74520560.4	166519601.8	70590812.1	71224170.9	1420960.3	100452862.3	112567133.7	121866429.3	9271664.7	5683989.9	37453929.8	1337912.6	0	77271328.1	55319390	0	0	104578686.8	59641618.4	66709522.2	50172393.6	132132979.4	45479407	61194523.5	65619714.3	0	57648442.1	145727410.5	68260466.3	169801361.8	76067334.4	58376656.8	79914876.6	96784094.8	46419239.3	143684500.5	78124765.5	60250652.4	220289774.5	175930558.6	54545825.1	1119601.7	12758958.2	102470496.9	18513922.6	34961005.2	51378488.5	95156119.4	487602608.8	0	0	215225130.4	26044294.2	11790687.6	140521097.1	15010036.3	100534004.6	70357706.1	65973972.9	25805703.3	25660250.2	61842274.2	63374747.5	83137652.6	203760485.3	19270974.5	16264105.7	10883275.8	198929596.5	49026081.2	67362261	0	0	101727822.4	101772050.9	122457538.5	67724290.9	79193783.8	78957251.9	0	366559721.7	0	13378797.5	58889964.7	67415756.2	0	120813766.3	264320812.7	2490954.3	98438664.6	10431675.7	201042473.7	0	83576171.1	38308442.5	2516278.5	64070459.2	53450923.2	108638249.9	239132883.6	36590767.7	0	147129031	0	16567206.6	86649964.3	58930980	34958836.1	35006275.8	76828856.8	76934890.6	46087169.9	75156231.5	36642270	49815910.8	43049005.7	100450499	76195163.3	36962927.8	278775633.5	71149209.6	62795270.7	36986246.8	35719554.3	50780048.1	142344870.6	40059502.4	37074416.1	37920823.8	42660575.6	240816236.4	75473876.3	70037488.6	37816518.3	40953635.1	42401079.4	113828093.9	70996328.2	37801996.2	112004704.6	55921148.3	42862190.5	35284483.4	125780181	52110825.6	212755689.5	44938035.1	129838389	41578810.5	36289688.8	52858211.2	38586285.8	62479503.4	80060980.8	78965006.3	52926104.8	101176411.2	42227642.2	36348039	38707078.4	35856721	72228741.3	51979201.7	66202183.4	76316407.8	51176220.1	36858966	47652256.2	47737808.1	95772839.4	43758901.6	41546999.2	83039680.6	65110917.7	36589506.1	78551473.7	80360943.3	56568688.8	69034720.4	122123014	63336284	38590047.8	41734518.8	175215357.5	52779401.8	51522850.6	35028509.3	65897233.9	70596669.2	35866442.8	43794851.7	59084679.6	757675621.3	38211848.6	40475257.5	60785291.2	43531653.2	81800852.5	79196231.4	0	0	71301120.6	166230310.3	2812853.6	1027974.6	64602362.7	24495227.9	86609732.9	0	467247918.4	39635916.7	198665313.4	157900383.9	46064716	274740041.3	2047879.5	114049311.5	62139654.4	75874448.1	15709272.6	174257515.1	76599546.7	65926493.1	188549954	76783756.7	124440226.2	3498844.8	7629971.2	29050551	161540438	0	62418003.2	121433769.8	85051371.7	101905516.4	23124935	0	14019404.6	7515185.1	90810955.6	24204215.3	31368860.4	31319816.9	28988974.2	87322600.9	71428054.8	77893327.1	0	0	147495144.9	0	137359131.2	98573265	256939376.8	68487028.8	81792020.8	9764471.3	65778934.4	24503432.7	187847274.5	14100176.2	49097468.9	65026252	70327882	70028065.2	70530548.6
Acetylglutamate	0	0	0	0	0	0	0	0	0	0	13242698.7	0	0	0	0	53759301.5	21609225.6	0	0	0	0	39447589.8	0	4930539.7	4648650.5	0	0	0	0	0	0	0	0	0	0	4817309.6	0	22358529.3	0	10447555.2	5254064.6	23484085.6	18481153.3	0	0	32145309.5	5486648.3	4705557.9	0	24825422	10251193.5	31220743.3	0	0	26271996.8	0	24630362.3	0	26684543.2	22772544.9	21326580.6	23827593.5	20341477	10353478.7	20965719.3	31974030	0	23274690.1	5955533.9	0	39223599.1	18321982.7	0	31455647.6	21837960.5	0	25470644	24035144.7	28694469.9	25738447.5	22831705	52358321.4	29409384.9	26670812.3	0	19165800.5	44830608.8	32223740.9	16520340.9	23854865.7	4894915.4	97187885.8	17427617.8	11676568.1	8608389.4	18570491.2	7995829	18196796.2	0	0	17034330.9	12665906.5	14165463.9	0	0	31549740.6	25215546	0	19905254.9	21372159.7	0	8821616.2	0	29926593.6	21039117.7	74705474.1	22952715.9	34351150.5	13960456.1	20203086.4	20696783.3	19251687.6	7968927.5	20132170.3	22338537.3	30058813.8	0	0	41211469.2	32064754.7	31795177.1	20434385.4	32348098.2	20552448.1	28873005.7	8396136.6	24412752.3	23450769.8	12449699.2	0	29148560.9	0	26292401.1	0	23354194	23989877.8	27274427.5	18589095.1	25841391.2	0	26250841.2	0	31626658	0	25057016.5	0	27578062.7	21169217.4	19244185.8	0	23688992.8	11314387.4	0	98683411.3	30975550.7	90539979.4	0	0	0	0	9766175	11567430.8	0	26789179.3	22171240	93427549.4	35788522.1	33526663.2	19527885.2	0	0	0	33529932.4	16497040.6	0	0	12101419.3	12269099.7	38989395.5	13521049.6	47999571.4	0	41744798.5	35982829.2	0	35231315	22109608.7	52273932.3	7570672	3275797.8	26042226.5	42679275.7	7124506.6	78759783.2	22112406.1	45206823.4	32485516.4	0	17811462.4	16262238.7	5910840.2	0	22777188.2	40536438.4	7257269.3	55453069.7	6824515.4	13600361.1	0	630436.1	4737381.1	28250592	35072149.4	729783.3	33777022.3	18587887.9	7628601.2	0	21334826	57254278.7	0	0	0	6673198.2	29898705	13680584	24906361.7	0	29652867.8	42569974.9	29352627.2	8271094.3	7543676.7	19436284.3	18500014.7	41902410.5	56694807.5	23940979.3	0	269461.3	21243244	19208700.9	16651827.5	0	0	5919394.3	44932601.8	4326277	6890506.1	32502437.2	34824729.8	9588678.2	1663959.7	37682594.9	40009163	0	37914248.3	0	40032969.4	27659665.5	0	30589190.3	9510187.3	40738288.4	12749723.4	13614260.8	0	0	31447578.9	3184006.2	1387520.7	27958736.6	0	0	30968795.6	22496591	35099591.6	15708111.7	28340427.1	42785250.7	0	38338380.4	36585039.5	0	35980986.1	22448600.7	0	0	26711557.7	25874770.7	57744984.2	30567084.6	0	76808279.9	27166578	33547248	13719097.8	38673224.2	21411486.6	14320159.6	7240285.6	35332371.4	18095400.1	26546478	39823505.9	38034748.9	3708821.2	10652978.2	28795165.3	16674827.9	25077246.8	17536763.3	22771698.8	0	38897524.7	6215363.5	25209804.9	27655776.8	0	11506832.8	33050499.9	0	32942854.2	0	81879762.9	0	37887761	237333.1	0	589626.7	0	504478.1	31402641.5	27613360.8	10550412.7	33961824.3	46026301.1	36802331.2	7722236.7	50449005.3	29854119.6	34463925.8	6015839.6	28894019.6	4216659.6	24252620.5	41005323.8	0	40452597.2	41113436.7	17643725.2	26133187.1	30459158.3	5800397.6	27906011	33892926.8	11812869.3	11815849	94690398.3	103877854.8	49139823.1	9898671.2	34740174.7	17742402.3	35859612.5	23577483.9	32806411.1	15049327.4	46218635	33769568	0	7635299.1	23819189.7	31100458.5	0	40785915.8	0	28325527.1	29391457.7	30740922.9	26545668.8	0	0	19418773.5	0	30591479.1	14164492.7	6892963.6	16677114.3	12671172.4	3651024.5	27891207.6	0	0	51355343.3	26607745	0	14568381.3	60329786.3	18261984.6	0	0	4494064.4	6080779.4	15678648.5	0	27411092.1	8483486.6	24685039	32935764.2	26304709.1	0	4733613.7	31331101.3	7000741.9	26098583.1	27524151.4	20370894.6	29107219.2	24089308.7	0	4037113.7	29061596	9928377.8	22817058.9	27010564.9	14921137	9226059	23554988.8	19698530.2	18199005.8	19860082.6	26364021.5	4745930.6	68874.1	26432049.9	24677195.8	32809773.9	19188676.7	42367795	5254110.9	27887338.4	20535018.8	0	3764692.4	0	23760867	27450870.6	10896245.2	25017988.5	0	55739633.8	8361586.6	17885166.8	20758800.8	23958031.3	14380333.7	16264111.6	9750550.9	5534715	14014089.4	22532865.4	0	21420970	23880607.8	25332416.7	29553672.7	5087659.4	8768924	22632230.4	26709474.2	17931647.1	12124994	21556633.1	0	9261372.2	16271267.4	95229205	0	27340105.9	17892315.2	0	12501895.7	22973593	20883092.4	27416619.9	0	98686087.7	0	0	37106643.3	0	33414653.1	0	26692427.4	15753391.9	17615303.9	13735879.8	51360927.4	0	15698177.8	0	31372469.7	33857338.1	7632035.3	0	27544453.5	40187865.3	23595800	21050180	0	32930306.2	39860589.2	0	24391481	24139702.4	18765556.7
Citric acid; Isocitric acid	74089140.7	61842288.5	1443132321	1737455528	1609419876	3008495259	2694912032	2140182849	1851684193	2877972949	1915334981	2686995889	3306756712	2655664129	2257722455	2919454088	2409584160	2241889807	3270039200	2016284781	1539311868	2759340922	2967118502	2176184808	2284598861	1725364446	2363879106	2190533928	1731097520	2088432284	3288728341	2421541756	2865229883	2367686676	1724231940	3012466004	3212479711	2440654618	2443588769	3311298478	2433540394	4142291326	3846582502	2989160335	2439910543	3236635283	2865846032	2630165858	4272992099	3398350010	5790346043	2578873000	3940023287	3703612597	3012106699	3238593037	2763328250	3248078202	5087520599	2601414290	3351895161	3802157721	2690242473	4622985086	2622503045	2717308443	2766041057	4520843114	2508353105	2634318512	3480059467	3563485707	2829443164	3486926561	3728058583	6125785625	1201123040	5021190976	6095005938	4384682132	4297186938	2791636293	3693631736	4167413370	2360101444	3366053225	2616205151	5286184519	3942339843	5645381455	3996965918	3894097122	0	0	8357787227	10993826177	11142642794	3887339929	1118500340	998265705.6	587406895.1	3677902231	5529419013	9934719068	1010006244	10634043632	2247566717	9980427980	254584276.2	535093391.2	698113732	753436271.1	801188983.5	4094033810	6552163490	11227804150	625840660.7	11502640271	634862789.6	1402398300	951187939.9	828863599.2	1069058884	1050765606	1416247222	2837239407	7676842384	9440907450	0	10861200419	1366312732	600355675.9	668232173	318248395.9	1323716849	365465902.9	1288617363	3144506599	4380419266	11855184070	744004267.4	1070958720	1516237895	3740448495	391709283.6	755810492	802160638.4	886762201.8	1094698353	2546671472	6022170933	11832981161	794272236.9	791293428.3	1240537789	4725697110	742141783.3	982243209	810659693.3	537139761.7	1465410659	2363664237	4958944813	11770383141	1252785034	11926517382	2407138989	10520038474	319626427.5	620503611	845195864.7	866056721	906741110.8	4152013013	6955226074	11480846300	1095397340	575377206.3	343663399.8	7480968586	873716233.8	513570882	1505977955	650861051	0	0	2222669796	2739560615	2698703200	3920498063	0	3540408572	1713222732	1521854353	791591198.3	3476622083	699239418.2	3593161956	3173333389	4421666075	3035058160	3590920307	4370967234	4225871503	2490087507	2401833228	5151307911	2552926014	2094084278	2545819918	1216018422	2296648295	3699753890	3925395351	2855738639	2895339685	6030652885	4812786412	4049842035	1703039695	3085605112	5577752885	3107308587	4636506590	0	2340629393	2825347004	4704864070	4654557400	3462765499	3124776595	2198774427	1487396722	2588217598	4123722888	2585046868	4752893031	6988570461	3659544252	0	2552179550	4257427460	5739897074	4984656580	3684707105	3981061187	4389638214	1466582608	5685997651	3994768105	4343120746	2207214316	2324479617	3034124737	5265280290	4158739106	4166277771	1771967405	2833613423	2637611908	3412885749	4594115269	2153066861	5581227117	3301059838	6050479976	2590318687	2723350147	3370441554	3354817752	3582934471	2394282118	1522548294	1539007923	2372388603	2107393921	88361766.5	0	13406263803	993586076.7	1095650745	985822304.7	901131891.1	1907257941	1605882790	2770061725	3067217997	1946317428	14781377959	1052666507	14229564745	1229880542	1274204440	1305156038	1202611924	1211522614	1581544132	1710028726	6031777717	1714981032	15103295761	1089024508	14120925822	1479581182	1184483990	847945203.7	1596217559	1062188928	2540141197	1231585119	5590304195	2162731790	15001797812	1317426216	1230656873	1593666766	1580673362	1101178756	1146526262	1136686356	3236906591	1854640070	3146430580	1832803105	11867976264	1044095595	1281492707	1401218882	1057428255	1294615162	1632449535	391386965.1	2604124394	5920369112	4135726058	2940081239	5388123412	1545060933	1272494387	1268923044	1274169173	1098711914	1340327200	1378215327	1967184565	8762260427	4378434757	5630459388	12079629001	1217805216	1084020032	1474875041	963509782.7	913842418.2	1284773449	1251267960	2681694256	13165290713	4027651794	8838637608	1322243777	1034792989	1592194035	1269040704	1392029542	1165243650	7992807869	1388588153	0	0	2001907783	1867849365	1256927724	1214341996	3748070578	2927944324	3130697717	4174692983	3953014098	2094028441	941782242.7	4408071265	1980013308	351519769	3722931680	2402662026	1532136732	4797339475	4276917209	3177265397	5904295926	1580053369	1994355579	2175848485	1570395457	3525646799	0	885305339.6	2759264486	1693511870	2498738934	5494156809	4421170728	713574193.3	2091465754	4607329391	2944931771	718367330.1	3882516553	3159354163	3709405222	3408969617	4282970149	3814879094	2921574181	2353004926	1562111699	2956636107	3471697901	995017978.9	5671765034	3686563408	3562097523	3485376863	4767792552	3330770266	2144696322	4290246130	6933078991	2307459493	3076752759	5182444679	4949452170	3118793808	1891667375	4158937951	3800096125	3734461805	4150076777	2208033539	2993346105	4547011033	3554844328	2200318176	2039596564	2559984469	3789435124	4559947742	4903752692	3396084210	2021838943	3872829936	3643823213	937307024.2	3380896073	4688362300	5894337020	5777774642	3406259178	3196603629	0	0	251987684.4	11477114809	1836100359	3041836631	2966768638	706753716.6	3016836306	373635061.4	0	3212653118	12048449525	655074106	919874642.5	10240634787	2142303905	2199885851	2805789599	476291011.5	3120583050	610159382.2	981745620.3	3019358778	12913768498	658708437.1	463582464.1	11501174224	1852620538	1837606484	1389714661	2875762094	2591493924	517831048.9	1183058929	2876410289	13935548868	647891158.5	578717753	10103031940	2093641249	1591211469	2167329776	1610153819	2698202398	404252982.4	904704917.7	2955449829	3671182610	1002262384	352724562.7	12415347574	1736624693	1667780189	1233317214	2618272445	2312901910	759941903.3	1408412098	2836312119	12585908847	879033961.2	711705806.2	12739366332	4623708492	1682438754	2167446055
Ferulic acid	1919541.5	0	0	0	299613.9	0	0	112087.4	2049009.6	3400208.3	0	0	2312430.5	713388.9	0	2945660.7	0	0	0	3537416.6	0	0	104270.6	2000498.5	0	0	3337243.9	0	0	5023833.7	0	0	1749711.6	6330687.2	0	0	0	1080280.4	4232799.9	425304.2	286297.5	2729349.5	6264194	0	5682556.4	0	0	0	0	1007213.4	4535445.7	0	1346114.2	2806208.3	3763081.8	0	0	0	0	3481447.3	0	0	0	63428.3	4745184.9	0	0	903269.1	1195380.6	2153251.6	0	2163742.5	3281478.3	565346.7	2164640.8	0	378198	0	3175695.6	3077571.3	4133711.1	0	0	0	4037625.4	391016.5	0	2211538.1	5183177.9	4018539.6	0	0	955572.1	0	634463	0	0	2944805.5	0	3014864	1375303.8	0	2110464.6	0	0	6578914.1	1816152.4	0	0	790899.8	790093	0	775004.2	2287841.3	676598	0	0	0	2218787.7	3567857.8	0	775559.1	1629043.4	677049.1	2055016.9	3993766.2	2082925.9	7877611.6	0	0	4460004.9	0	0	0	698217.2	0	0	2187662.2	2562539.7	0	3304247	4234417.6	644052.2	0	915704.7	0	0	2018794.9	2245003.9	0	0	8270592	3858694	3395003.8	0	3063729.1	0	0	3643046.7	2480292.9	1621748.2	0	0	0	0	9272887.9	6391665.1	3477216.2	1945920.4	0	1394380.4	3876194.6	0	2658051.8	0	0	0	5002182.9	1956710.8	0	2095007	0	0	0	1340973.7	0	3802265.9	0	0	2497082.1	0	8093999.4	446595.6	483250.6	0	516015.2	2589090.9	0	543810.7	2877920.2	5007876.9	493649.5	1212399.3	4470140.5	610240.9	0	4881072.2	3593549.2	0	0	583505.1	1381413.5	3745211.5	3500258.5	1978937.5	469623.9	4480771.1	3637963.4	438424.5	0	2762987.4	1424361.5	2469961.5	0	1356761.8	2507074.5	374385.9	0	4020407.2	3091797	385467.8	3634822.3	2774717	131278.6	0	569973.3	486959.5	409271.2	2811830	1839282.6	3171725.3	0	4433699.6	1736793.6	0	1208998.1	675665.7	3421388.6	7790556.9	2025086.2	1607116.2	2313851.8	1599052.1	0	0	1946892.5	0	0	0	5705668.9	2085078.5	0	592738.7	4077528.1	3922658.3	0	703237.6	4341357.4	6397065	408493.4	6896239.8	480127.2	0	443950.5	0	316475.1	2474865.3	0	597971.8	361228.1	3596804.3	798483.8	2077811.3	2694332.7	1952932.8	6030537.3	2475267.1	2693619.8	9801876.9	1392920.6	4107611.3	436170.6	0	4533314	0	0	485981.2	1714086.4	0	0	0	0	3242408	0	0	2757299.8	0	0	0	1186155.4	2570478.1	3374427.9	6014202.9	3501807.1	0	1714561.2	1291602.4	0	87813.7	3126694.3	5026335.3	6116077.9	0	424653.5	622782.4	0	0	2613222.8	5522.6	279127.7	2847042.1	357557.6	1830957	3968929.9	0	1523417.5	4553494.2	0	0	818760	3235773.4	3575139.5	1632901	496607.5	0	599157	403498	743116.2	4154771.4	418273.6	3599330.7	1048778.3	0	0	2557256.3	0	2025634.3	0	0	5377265.9	635146.8	0	0	0	2950780.5	4524121.1	0	0	0	0	0	0	4426820.8	4663538.4	0	0	2639718.6	1628436.5	1341339.3	0	5879998.2	0	0	0	255284.3	1917787.8	0	2495609	3254445.2	5452206	1009355.3	4028320.4	5261610.5	0	3506759.8	673896.1	0	1438572.8	4898404.1	3821486.9	0	3257227	2447821.2	2081582.3	1891767.1	0	0	1636583.8	3023513.6	0	0	835262.6	3065234.5	0	2389399.4	0	5722295	0	1343724.9	1504486.8	2932496.7	0	3499944.8	0	0	0	253923.7	0	0	4530919.9	0	396110.7	4041327.7	4000876.4	547368.9	887235.3	0	3322055.4	3608517.7	1567473.5	2592608	0	0	3328282	0	3201429.3	7150788	3346460.8	0	2957668.3	3114176.7	0	1327549.6	83136.3	0	849216	2145992.2	2387203.9	3618181.2	0	0	0	0	3083361.9	1866387.2	0	0	0	0	931307.4	0	2078378.6	0	0	0	745689.8	3686130	0	1282382.3	2468893	1659020.4	551684.1	0	1218177.1	2605651.2	0	697971.2	6489466.9	2379932.6	2589485.3	1533599.6	0	0	1977830.6	1442720.9	0	11924997.2	4253996.9	3152722.4	5773061.6	3184680.3	2755763.6	1181202.5	1502549.9	0	1055847	2903093.1	2936485.6	0	889004.8	583486.9	2301674.2	2771099.8	0	1129464.3	0	0	1006174.5	4541077.6	0	756227.9	2439582	3444347.5	0	435457.5	3190997.4	2414847.7
Gluconic acid	0	0	3545620.1	8310354.2	0	3845989.5	0	5339130.5	6403300.9	19232730.7	87814914	0	2007263.8	182242685	3022414.9	0	9804800.1	215494499.6	34840108.4	253908.3	0	0	11303328.3	641633.7	3415847.8	2963727.2	23060759.4	0	0	0	0	0	63592.3	32043344.1	0	19728948.1	23594663.5	1378479.2	0	0	4514795.3	12249795.2	0	0	3067196.5	0	10001099.1	6731929.5	0	24929032.9	2500287.7	0	6939077.4	0	0	25167551	2280925	104018986.2	0	19948544.4	10436495.8	5121925.2	0	50633904.8	39836083.4	1114556052	0	2458804.8	6668438.1	7258929.3	576285288.5	3720729.2	39642988.6	0	1439884.8	0	209350318.7	6641455.6	7041451.1	0	0	302220806.2	0	920247.3	24168195.8	46105093.8	1508174.5	0	660304265.8	5986316.7	12260368.6	12960019	13464502.2	12633071.6	35415686	35514606.9	17306163.5	60442758.2	16978539.6	27042353.4	18574290.3	17805910.7	44706657.9	26056139.2	25957767.3	17587862.3	20395168.7	20274826.8	15728472.7	19547894.2	17631651.9	16985429	17482226	25934023.8	18816142.1	28998425.4	23107064.7	39228305.9	38714604.6	18258633.9	17978082.3	26942369.8	74992531.6	18096071	21737189.8	39460823.3	20475035.7	18979509.7	19985848.4	19967162.2	17509111.2	23117544.1	90789709.2	16005872.6	20081970.7	20703755	17703345.1	17567937.7	35451412.6	36779035.8	26335838.5	18182511.3	23059362.9	17019747.6	15445998.2	15052930.4	19047417.7	21551200.2	22809900.3	16843548.5	1488653383	21323003.6	449564910.5	22358808.4	26542597.2	19681881.3	18078242.1	19227411.6	20112967.9	16170507.1	28506611.3	30964924.2	29513483.3	24619519.7	25705640.3	19842732.8	21648029.8	21116711.1	15793825.5	22928275.2	16559358.8	17381835	19479046	30343532.2	19772471.7	23277513.2	15024804.5	31355694.3	19571416	18507240.8	17838519.7	32217771.9	26179387.2	21183676.6	0	0	16324081.3	18598885.1	25281622.9	9689703.2	10500110.8	1360755247	7888980	8428734	17652051.8	6345261.3	2932533.8	7883375.9	4910760.9	7484225.2	35177249.6	35248980.6	3406421.8	5640083.6	10135400.7	10623040.8	11607886.7	7616724.2	19110392.7	17164041	13798047.3	63498705.7	5740123.8	10180999.1	14481838.8	5687423.2	5984108.5	10256550.5	29611019.2	9287822.6	37709331.1	11752532.1	6740612.9	7989921.5	7363649.8	19803510.1	1967619.6	5217195.4	4328116.9	5941698.9	20312619.3	16645361.8	6095639	6562676.7	12633614.8	6346387.7	9544448.6	186773512.3	8795044.2	48442622.2	37981108.9	19654269.5	9333976.4	30785212	5170327.2	11053575.5	8054231.1	390614852.8	28007852.6	103931347.1	13490843.5	63806610.3	16426930.8	19640318.1	4510979.8	6113685.1	189454176	465163852.4	23323466.3	15900604.1	9265220.5	8494335.8	35143090	10114887.9	13873504.6	11427892.5	32072198.3	8283844.5	13005407	6495052.8	23078149.1	7562592.6	3341364.3	5696774.9	16321987.5	20600342.6	0	0	33601888.1	7829323.9	0	0	12001022.5	0	0	4117044.5	856561.9	0	518303254.7	0	800647.8	0	748037.5	0	4954136.1	60098350.2	520205.5	3558046	29781096	15854410.7	40770398.2	8443027.8	4092994.6	13462777.3	5014360.1	2098375.8	82869778.2	0	0	107019329.3	1961827.6	27529636.8	39789619.4	0	0	5168240.5	3460923.6	0	0	270380.4	35072022.6	0	19339801.1	9409064.5	122970233.9	152390353.8	0	30188117.2	17042113.3	3376294.4	0	0	0	11172932.5	1909528.9	0	50595183.5	11786184.1	7510413.9	5868225	7127525.9	257997814.9	0	406103388.2	14674090.3	33217370	0	39827627.3	1185007788	0	6925148.7	490799.2	632866915.5	1493953	1283108.7	0	0	10355904.2	110663586.4	3626450.2	870622.3	0	0	0	0	578474.1	33132973.4	10556610.7	0	0	11989488.3	15642731.1	3203536.3	28176924.1	0	0	123215683	0	0	8134198.7	152466000.5	0	5256408.2	0	934579274.7	0	0	0	12843283.3	0	3725103.8	37947788.9	5565167.6	12082144.9	0	57397543.3	72186081.7	22279457.1	3889730.2	19659416.9	39054720.3	0	26806081.1	0	0	0	22169334.7	0	0	61132191	0	195348110.8	0	0	15288430.8	21629240	0	11958579	0	0	2042724.8	0	61715091.4	228112218.8	0	189325784	0	0	0	2629403.3	0	0	226753	104521011.7	0	0	16087929	22254285.3	0	301094.2	0	0	881382880.2	0	287148861.8	12010221.2	0	0	17998449.9	30925330.6	0	31282172.8	39992517.3	123945032.5	126106808.9	51271660.4	59691984.5	18709675.2	20465948.9	18217460.6	0	0	22938864.3	142071750.8	0	430463.5	16676074.9	20394266.4	25899887.5	96347365.8	219271291.4	0	12091615.1	0	3712477.3	319921412	0	13011553.9	49370520.2	0	41514805.8	0	313480735.7	11013041.4	117582352.4	40450808.8	0	214506685.7	14608932.6	53899264.8	6527590.8	40218318.4	32305741.4	48737446.5	0	23185280.8	12029401.5	173179344.2	4292059.1	84141730.2	0	8278564.3	136938110.1	0	16785814.5	0	44652843.6	101907626.2	124615085.4	5659374.5	42132605.7	15062510.9	49210959.6	0	5634206.7	107869617.2	14644470	24129175.7	1984669.9	32432584.9	0	0	0	3037696.8	10077782.5	63761148.2	80315189.4
Vanillylmandelate	1116820	668893.1	5024230.9	579404.4	6994336.4	720435.6	3786931.5	1888213.3	1275032.9	0	2010837.1	4177275	2442120.9	197565	3151416.7	3734058.1	287958.9	0	0	2962987.9	700255.9	2027598.4	405820.2	866067.7	1661299.8	3860455	1830409.3	1678172.8	0	1201154.7	296686.4	2341537.2	1533889.9	0	2092161.9	2072389.3	3619294.8	0	2328532.1	5161894.9	2879257.6	654944.6	3032216.7	0	1320469	0	3330595.1	1672128	0	3448348.6	2517569.1	2214056.4	211127.3	2805577.7	1480714.3	958630.7	0	2352148.7	559137.9	0	584537.4	995793.8	0	0	3040874.6	35180.8	0	742880.4	2223835	2300055.7	0	4139238.2	3207833.4	3645669.1	0	2388425	1421981.4	2236849.3	3887097.3	961138.7	1832594.1	0	2369411.9	3343576.6	2208366.4	3032001.2	2499157.7	0	2557667.2	1636938.2	3854449.7	4652.3	1490107.8	2032481.9	822730.3	0	0	0	0	0	612039.7	508236	8466777.3	0	490114.5	0	3244240.4	0	757324.8	1718369.2	656222.9	0	2844428.1	1784093.7	878476	0	1441462.5	0	3905960.4	657564.2	987161.6	479247.6	746806.2	2205928.1	538976.4	2807062.1	4023747.6	0	4315092.6	0	0	0	2086339	587556.7	2360940.5	655363.1	0	1970123.1	525550.2	1436304.9	6197205.3	0	828918.5	0	1440824.4	559091.5	609311.3	1512296.5	1055075.5	3707602.1	2554323.5	0	3947067.8	1459853.1	3287872.1	0	709491.8	3583929.2	1927793.5	844388.3	0	3270829.5	818726.4	0	3126525.8	0	3963306.5	0	1265122.1	2154660.3	1038078.7	525450.3	2856647.1	0	2898072.8	0	0	663072.6	3036126.6	785597.6	1409628.3	0	1123148.6	1438218.5	3569910.8	2286320.7	185495.9	0	0	0	1383990.1	289502.3	0	211525.9	3800065.9	0	422854	1158723.7	1249599.5	2108391.2	137183.3	0	3216852.7	1260989.8	0	1374648.6	0	2187685.8	816779.1	240578	0	1704373.9	1943402.8	2174355.5	800014.7	4364873	2405892	512357.1	2007966.7	4249049.1	2997143.7	902096.2	2657051.9	0	245198.8	0	1743069.4	0	1610114.6	130541.5	1336346.1	814486.4	0	2944555.3	3554270	2793137.4	283770.5	0	127977	4365267.3	0	0	1563485.5	4348942.8	836169.9	4423595.1	2556085.2	0	2904542.7	4235582.2	0	2531814.5	0	1951376.8	1028644.3	2881509.4	2184331.4	3534287.8	2082.4	2678181.8	0	2565915.8	3649978.9	3986548.2	1656357	0	327571	5052647.5	29780.8	0	2310389.1	471924.9	2095054.5	2376124.6	0	5496637	1752718.2	1018626.6	5242217.4	2059629.2	189789.3	1548442.8	1346707.2	3452143.2	903054.5	5127689.4	0	0	0	2636066.1	0	0	0	1358203	3259268.6	0	2762524.3	53473.4	1096258.9	4530015.9	4531350.9	4372596	0	0	768304.9	1604856.7	0	1419756.3	2843924.4	2956228.9	3374352.7	2218457.1	3954499	0	0	2314066.8	2608004.6	2094200.4	790382.4	2799811.9	1682445.2	3985094.3	2919064.2	2805223.9	0	278396.5	1541404.9	0	1788483.4	1000462.9	1049495.8	475815.4	2092564.8	3725945.7	3832524.2	1318968.2	3581757	934823	0	79905.4	2110735.8	0	1200446	1513770.5	445018	5498327.2	3018105.9	1403384	1119857.7	2900730.2	0	0	0	0	1185183.7	0	0	0	1046060.2	0	813802.3	2329702.8	4637077.6	811850.2	1614593.9	2406131.5	3410336.9	1068047.7	2733130.6	1634664.3	1771207.6	2076425.9	495010.8	1503650.2	0	1968475.8	1663527.7	1107193.6	295454.9	639234.9	1212703.5	1319455	314025.4	2215820.8	359003.8	1476692.7	1751019.8	0	1442352.1	2380272.6	2994550.7	502771.4	401882.9	3724843.5	0	654254.6	1478390.8	1590979.6	1989541.8	1825889.4	4540762.4	811741.1	1510780.4	1751979.9	1941415.9	4286638.3	3715260.9	1851909.4	0	552962.9	1518817.4	1654459	161205.4	11010440.3	2705753.4	4557832.4	827067.9	662726.7	0	1018110.8	347429.3	1572009.9	1957477.6	2124774.9	2838926.1	2297582	1974882.3	0	1291085.9	151496.9	753780.8	1666921.9	3661608.7	1200880.3	2844805.4	0	475235.5	2581204.2	4827282.3	2257608.8	568577.3	3987948.3	910006.2	1838154.7	2555623.3	1005061.4	3163584.9	1523087.7	348690.4	2967566.5	3240138.2	2525572.5	1942838.6	153227.7	0	1743752.5	1588905.9	3427191.3	1990500.8	1871001.9	1240344.4	736594.7	505184.3	4313202.6	0	1976895.4	0	2366574.1	664334.3	434387.6	5009046.4	3558384.7	6342747.3	509342	1068699.5	0	1041829.4	693383.9	837180.3	0	0	1598685.3	1074204.9	3297538.4	4825493.3	2985506	1376043.4	685647.7	615214.3	0	1027905.1	0	2513887.5	2812125.9	0	1694433.2	6240643.9	2972591.2	749076.8	4870109.9	2074214.5	0	729432.4	0	1964073	984149.4	1927651.1	2269774.2	0	2760839.9	916494.4	0	2932460.5	2078608.5	604329.7	0	2999493.7	497396.1	0	2473168.1	0	682546.6	645782.4	0	735124.9	633871.5	806741.2
FA 12:0 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Tryptophan	0	0	24445285.9	0	1053860.6	49412970.2	12459962.8	0	3391911.9	0	4482429.4	17467262.6	14079046.4	0	13344377.4	0	1758297.2	0	9933718.7	0	0	11153977.5	0	0	26780963	23102590.1	15062372.9	11239127.3	12384946.7	21406669.4	0	19056936.6	13777154.1	38818087.5	0	75197124.7	26287040.3	30048111.4	20718318.5	41477907.2	18777112.5	11765858.8	0	18162081.5	5953861.5	43228320.4	29053980.1	30058670	12156947.6	28251204.8	19326235.8	22841428.1	96626101.9	17315928.6	42110770.7	17922104.1	13670927.6	0	29931363.5	19710900.4	8685830.9	63703694.2	1590348.1	15764540	13974418.3	0	9403007.9	7451273.6	26398075.6	32643200.4	0	94532681.8	30930141.8	2130949.8	535711.5	59017717.7	0	34003050.9	21881613	729033.6	36932554.3	37129464.4	11610845.8	24945039.2	11725499.5	8975535.8	23055783	21814144	19149589.7	18279399.3	28337652.9	31258455.8	0	0	21210839.4	30014155.5	0	20452751.1	5333330	6229287.8	12202988.3	0	8141624.2	27019105.2	59346903.6	28968363.7	12441716.8	19254810	0	9090731.1	8627135.2	3961674.6	3938835.6	1894604.7	0	28727143.1	15213083.6	37913178.4	6143751.6	10775172	5000719	91466.2	17742423.1	31249825.4	17016989	10779625.8	115402.4	25647940.7	230043508.5	40662146.5	13394021.4	1733755.4	0	0	14710078.9	45089586	9311404.6	12767811.3	20919082.8	43853685.2	9371102.5	1813572.8	1489032	32784246.5	23489016.7	14919968.1	176361.8	10779423.7	18128612.5	6249158.2	268722.9	33475793.8	0	9227093.7	16924512.3	28253629.1	22938152.2	1783026.3	17827948.4	9517118	15043861	19891535.5	32693274.9	21965192.2	64251202.7	32377574.8	13542135.6	24039002.3	191937.3	8898878.8	14421348.5	7014069.7	36627683.6	4331527	13249261.9	41502302.5	0	11792837.4	18529504	10979214.4	4758361.5	11249252.7	16018266.5	16199863.2	0	0	17248207.5	18714404.6	0	12837568.8	0	42040940.6	0	1973652.8	16267922.2	0	8078461.9	12381104	16947444.4	11582076.8	10374970.3	17590758.6	0	19360351.6	13515629.4	9298840	6527626.5	9594823.6	15019014.7	17499237.5	6090011.8	60139846.4	8542515.5	5548847.8	23546710.4	6073717.6	10144916.1	29194413	10962494.8	16008.7	23576573	12672585.6	5507430.4	105541981.4	7025269.7	5018685.2	5975535	3730598.3	14614161.7	0	17398770.3	19414466.3	3399945.4	16192161.1	10028225.2	13877612.9	5539093.1	43939432.3	36049884.7	249984799.5	17661671.3	4658004.4	11174019.9	19288617.5	19032562.5	22679239.8	12989999.1	7324115.5	23351609.6	7232528.7	23271709.1	34177066.6	17392051.1	19229165.1	26155886.4	1773985.9	9802241.4	22718507.3	20575769	3000346.8	25663736.7	12595054.9	14904035.8	13056661.7	14563522.2	20036517.4	9363806.8	20710255.8	30164839.2	3168558	10061667.2	5588413.8	18757341.4	13929343.4	18066742.5	14225765	0	0	35487132	12227268.1	14664800.5	0	4618932.2	0	0	181362711.1	0	0	6978584.5	7073298.9	42875000.9	0	5982770.7	116489632.2	2831878.7	20600630.1	9446525.5	43356180.3	34958640.1	0	50300704.9	21316158	10338997.5	7585196.3	5652627	5404689	11648460.7	18559957.5	7797794.2	17928224	0	23894538.4	60348935.5	17728335.1	26625013.5	21367061.8	16125652.4	1820289.7	6127253.5	0	24193425.9	20556048.1	25238426.4	27657943.4	1643214.8	9894304.3	10157812.6	12680157.2	53289323.2	21757641.2	3518325.2	0	13760748.2	51003251.4	42750490.4	0	15904734.3	56559190.6	1368468.4	16006470.1	19184312.2	12267968.9	22006267.8	1523322	20107582.8	27774305.9	31402875.3	10819150.5	19606472.5	0	12655602	23674834.1	8918201.3	15135033.8	37132208.8	0	9719345.5	2602751.5	0	28080214.8	3340646.7	0	5204614.9	13568120.4	0	27251469	25635706.7	21963224.3	6266201.5	6674242.6	9737187.1	9797927.1	12275227.4	9603028.6	9710627.3	8250457.7	13367523.2	7369503.8	7856266.9	13109675.9	14959785.4	8312565.6	9308024.7	8438651.3	10982580.2	8808519.5	6960224.9	7803030.5	10373398.6	10121888.6	10498876.9	20722312.7	10312950.8	10634688.4	7924865.4	11665337.5	9538564.2	11821494.7	8964607.6	10831431.3	8608698.5	9904536.5	254845123.3	6723210	11443852.2	17530130.5	18792343.3	8560494.9	8691011.6	16599973.4	10249626.5	9925869.1	12696274.1	13912604.8	15596960	14515569	13731032.7	18480571.3	14819629.5	10992549	14176151.8	9996593.7	22420935.1	10428766	17594197.9	19038565.7	13363897.2	11603020	13400144	10912552.6	22808239.1	9424753.7	15254104.2	24429840.1	16323867.8	12240088.9	18246255	18614405.1	14220089.5	16661241.4	23035103.5	17703908.5	19055539.4	13340259.9	12665769.1	24024181.6	14092786.7	11452763.4	15870385.3	21696479.7	14324575.1	7038168.1	14239931	169558900.8	10613880.7	13295895	33395153.4	21762023.1	17597453.1	17872413.9	5474317.7	0	7832642.9	16843054.9	6787969.6	8016182.2	9944727.2	15428148.2	8855209.8	6419544.7	95138380.7	7715536.9	18613661.3	7253335	9673926.1	12159317.8	9870057.3	8910454.4	220043594.7	8145153.4	7332103	6830432.1	7166689.5	6657625.1	22190407.7	8566633	13446117.1	9894409.4	9435631	17747350.6	9819482.8	10622043.6	8869801.9	11165621.4	6833505.1	8643312.8	24659385.8	22374013.5	10945561.4	23019511.1	8752334.7	13388625.8	11405998.6	12357931.1	11111673.1	11120223.6	12586184.4	14506189.9	120110862	12764815.7	17701265.7	13325474.4	36402917.8	17580421.3	11378975.5	10244730.6	12900100	10576922.7	10755268.5	14179029.1	18895829.8	16021395.2	11370950.3	15589283	11305698.6	13441886.1	14112525.5
OH-FA12:0	3821111.4	3423722.5	74164552	80726178.4	13248819.2	53180010.6	20621851.8	69655474	153284280.6	52666992.7	96302738.8	195649217.1	98352301	32673629	106768121.3	23093534.3	40494307.6	205552731.1	33544587.5	62480524.5	171994702.3	25400349.5	47806413.2	90005082.3	29166964.8	83188634.5	152018341.8	144404852.9	156613753.9	79676487.4	52021561.9	38311014.1	105237817.2	197922889.3	24139164.2	63899866.4	223615411.6	110155165.6	145051530.6	31319914	31354069.5	67257044.5	24104297.2	93684838.2	272610200.1	150348462.8	105459544	95521298.2	11121295	38032027.5	57459340.3	114123796.2	112830102.9	280163881.6	35804249.1	229968661.3	28844901	155167987.4	2558172.8	32226504.5	16757871.7	24173578.5	11501881	82541015.7	12088968	126158583.1	122064955.5	16270160.2	61140503.8	106415557.7	19443684.1	325662498.4	80579822.6	29492662.5	38281825.1	106293887.4	46958945.4	152017815.2	56464174	166951009.2	20293301.7	183306611.6	29266017.8	119159130	555559442.5	50283369.4	171404250.3	13768414	75340019	17644956.1	33396338.3	116793352.7	1624443.1	3993594	84106994.4	137132827.5	287314105.7	547231041.5	87118349.6	156261420.5	32306892.8	189612654.9	30843707.2	58435503.2	49616154.9	10842757.7	56966618.1	168883110	25663158.2	101914291	207350861.3	135368426.7	114286465.6	28683266.9	156388714.4	16579107.4	46660326.7	133410168.5	239480692.6	31786256.3	44236657.5	41504614.1	176130386	85644522.8	37565813.7	8369438.3	262552907.3	57883942.5	138926879.8	218767228.2	29451653.3	85680722.3	6316162	55697516.5	8279863.5	66203092.2	43021103.2	11227822.4	61480446.8	75959676.1	204027201.3	15566583.7	20973923.8	100665800.7	19172748.5	18009046	18444191.4	116504717.4	39930316.7	11508802.2	86438670.7	151493197	216605825.3	29695944.6	26432420.5	196218889.9	44479857.3	89583496.7	23514358.3	259770730.1	70184942.4	74821478.8	130938100.7	13403814.3	134528448.4	24544333	58164712.2	164646403.9	26129034.8	165846269.2	196609808.1	141257882.6	111643643.9	34462490.7	166057656.4	14884122.6	126473445.6	103480591.2	194172103	135988521.3	29860894.3	6208969.1	86422064.4	36291247.8	6500348.6	5385845.6	72083666.8	107184795.6	67772009.4	135339439.8	126417333.6	272453385.6	61949085.3	24055429.4	546199943.6	72433612.2	40011317.2	18293651.2	50400824.4	181081019.2	55484693.9	18694916.1	74987719.1	117710065.3	27418479.6	26696369.6	58765459	126286823.6	19350107.6	97739633.8	192202291.5	7467345.4	67992081.1	29871384.5	149452609.7	143885949.7	33669086.2	92608975.3	55853391.7	138604605.8	215315553.7	234126046.8	29416134	78755252.2	26015220.7	77936777.1	35332977.7	328870292	25289657.9	107693582.2	27759966.3	76665532	8671723.5	65544481.6	274868449.8	293949454.7	114452360.1	49309269.8	26400101.1	15188910.2	83439117.8	72559022.3	89642207.4	41904337.9	11152744.8	118890362.1	199189786.6	191289442.4	21603955.6	174558702.1	52825501.4	40135631.9	32702780.9	56614589.3	45618093.1	130325169.1	27727989.8	114944339.6	124275742.1	28070388.6	76538065.1	115162677.3	186643964.7	109849536.5	25682327.8	22035862.1	121381180.5	109403611.1	36611055.5	24496771.4	38951376.3	58750324.8	26464908.8	22155647.5	102301533.8	77397636.4	377373.5	177457.1	57401141.9	46402018.2	82967052.2	50228425.1	120614031.1	48338146	82962340	70520575.2	32868067.6	95406887.8	183160570.2	101980989.6	360363824.9	86856375.5	77873885.8	127613834.1	101698072.5	54243398.3	155745223.2	94735444.7	191932570	180243324.1	33676818.3	97155814.7	46461272.6	30048663.9	120023753.7	55801524.7	42423552.6	76527605.5	111981008.7	194989664.9	19413908.9	31180532.9	421771755.7	49665663.3	27060798.3	124063642.3	36324302.6	100222433.7	72172423.1	53239267.1	49151869.2	35529661.8	31284570.9	63584918.5	232640293.4	257357701.6	30854930.9	50159861.1	24046286.8	204123147.3	58160269.6	29980584.6	15272601.5	51223970.1	153645396.3	133116705.8	314854346.3	73044024.5	80872973.5	81354956.4	17778178.3	321507270.5	22894846.5	24689452.6	54158061.8	135836509.3	15936546	231112863.9	244057247.2	25728987.1	92858726.8	27484058.9	34158090.2	13298117.7	76414553	46253113.4	18963204.2	173433598.3	147694070.7	236693689.1	320379978.1	50202856.1	19756263.4	120667690.3	13692555.6	48887033.3	44200997.9	54953106.7	21671039.8	22956954.2	92103881.8	100530761.2	49163287.2	133097512.1	33815815.3	53641392.4	60620619.2	135101512.2	77828287.3	48514280.3	324840784	102160249.8	58921318.6	36525296.4	22734973.7	67066986.8	223050984.6	43178508.8	26563111.9	38933701.1	55402064.7	441549890	56425562.6	106743911.8	32831082.9	33996453.7	48755734.8	222618392.1	100676384.4	65786962.4	179014221.4	81077187.4	25410687.7	23152649	175944176.4	61510340.1	443283216.9	35907952.8	119994379.8	38638542.4	29901369.9	68835379.3	36449522.4	79422062.3	113104760.5	97659646.5	50845926.9	158212223.8	43582673.4	22695374.2	35961365.5	25048190.4	134293802.2	48694210.7	81321628.8	104216336.4	49483131.9	24570334	47332560.6	56005823.2	137178070	37281377	54695714.8	172247165.5	78002012	34758701.7	107090127.4	124177551.9	64976597.9	59757048.4	220000946.4	81235501.6	36265586.1	33743294.8	277830934	51939198.4	53422521.4	21045169.5	108687869.9	79970525.2	35174606.8	41150896.9	78223208.8	394344297.2	29431375.2	27886918.2	74874394.8	53909660.6	107547717.8	110243714.6	0	0	54528783.8	193274214.4	12732548.5	2428024.4	118917894.5	15841465.7	180512399	0	93896275.4	75366811.8	10991063.7	300095877.9	63331527.4	184248374.2	16464406	220169778.3	53214491.4	63351708.3	51587157	194624060.8	99215413.8	93935191.2	44943724.2	201801966.9	219063619.1	0	35082863.2	44413630.2	181273975.3	110325.3	123221473.6	131952268.7	88563177.7	119160818.1	0	0	31702941.2	0	175197038.7	63260148.9	96001247.2	68539942.9	57754941.7	112113132.4	71828389	100269211.1	0	0	230641773.2	11568618.3	302433002.1	162513908.8	368440836.7	144549212.6	96305478.3	7541755.8	54737237.6	50163293.9	89714086.9	49673379.1	69274742.6	90214481.1	202357215.5	107774947.7	67696975
N-Acetylglucosamine	0	1176211	8280654.9	9515305.2	5570563	3491443.8	5666643.6	6750545.6	4424014.7	9588682.9	2203015.7	559754.4	10599459.4	2134123.9	6768216.8	4574638.5	4876273.9	2241915.9	7362815.2	6704763.6	7975903.2	2603962.3	2695140.4	3833769.5	5904643.1	6097562.6	4780301.2	6293840.6	3718788.5	3219752.6	2998800.3	2414437.6	2609357.4	2862398.6	4427973.7	3915987.7	6803980.3	3277044.8	1237570.1	3812389.1	3574707.1	3683271.6	1385756.7	0	5703224.9	3439038.9	4332859.6	4535465.5	2750299.4	2053688.7	1346054	2877449.9	5375771	2336156	4065102.5	3707438	3584247.1	6748503.8	3059635.5	5364020.6	3113234.5	4076025	2121092	869730.6	3018799.5	3540616.1	2582523.1	5441950.2	3583714.9	4096566.6	0	4139211.2	0	0	2126089.7	5037112.9	2513743.2	3719260.6	3846723.5	3394041.4	2529648	3979922.6	0	2559304.7	4138771.6	0	4175129.3	2135020.2	4132249	3184196.1	3634503	5172722.4	0	894775.1	10363013	4111165.5	1971181.5	5769186.2	0	5549365.1	5325080.8	3207142.5	4518889	3168927.6	2681408.7	2661762.5	2058844.2	3994728.2	1688527.4	5319740.6	5029445.9	1809509.8	4702595.2	1525063.1	2029118.5	2799233.9	3148692.7	4139038.9	0	0	2633204.3	0	3163830.2	3416887.2	3835849.4	0	9211950.9	3432540.6	2652654.1	2091089.7	4443115.6	2101861.1	5884907.4	0	4843318.9	1323475.9	0	2318756.7	8327438.5	5390242.6	5876602.2	0	0	6320028.8	0	5281752.3	0	0	5644763.4	0	1668640.5	2768885.1	0	2637526.8	0	6080156.9	0	2046412.7	2671077.3	3584605.2	4422314.2	6683083.4	7330150.7	2307065.7	5272984.8	3159402.4	0	2395542.7	2124665.5	3064749.7	4609080.6	4170235.5	0	0	5139385.8	2867328.3	2867433.5	1905764.9	2823294.7	5590102	0	4825535.1	1203393.8	6012217.4	137258	0	0	1025082.2	2805124.2	0	1971558.7	4876598.9	0	0	4203840.1	4162731.5	4865089.5	1148727.8	0	0	4807319.1	6082596.1	3975934.1	4348313.7	5715801.7	4357194.9	0	0	3820092.4	283906.1	0	0	5082006.6	0	3918157.7	4034437.8	5543797.9	0	5841773.5	1250885	4778829.5	216034.9	4976206.7	0	4794066.4	4490974.1	3447085.1	4456353.5	300242.2	4043579.3	4536298	6141986.2	5885861.4	5255411.5	6390662.2	0	0	1758965.5	0	0	3565102.4	2977627.8	4830703.9	6537241.9	4413647.5	0	0	3580540.1	0	5809558.1	5651815.4	4055259.8	5950720.7	6390900.2	4065149.5	6263763.7	4424707.7	3995088.8	4860210.8	4477007.5	3312892.4	4014014.4	5223154.4	4705825.2	0	4551414.4	3802379	3597225.7	5093654.4	4236162.6	1415738.8	0	4385053.8	4952338.5	6286184.6	6297539.4	763663.5	0	1048025.8	1519940.8	5427225.4	0	0	4487836.1	4281096.5	1328840.4	174991.1	4590948.2	2361747.1	1370349	1132287.4	4286479.5	4337736.7	3859889.9	5317647.8	4613760.3	2948678.7	1928143.2	1035947.8	4765583.4	6353311.6	3765404	3538526	3237887.9	1469736.5	4653123.2	307605.6	5745021.1	4092946	4369343.8	6223208.9	5312349.1	1429850.1	1891171.3	2004797.3	2732082.1	4963545.2	4898451.1	4340840.6	4651706.4	5157194	5745804.8	5801344.2	5329430.3	3139625.1	0	5123616.9	4778461	4869537.3	4496535.3	3826034.4	0	5871082.1	10694583.4	4132189.1	5866639	4964497.7	1568160.2	3666234.3	1184540.4	3998008.4	1940472.1	4344529.7	4719496	6005345	4512300	5107361.6	1542441.5	2627186	4870516	1916741.7	4294855.8	861407.3	4856064.2	4788924.8	5037155.9	3911903.3	939183.9	7230181.3	6475880.9	1628279.6	4918337.3	0	3788318.8	4307244.1	4791757.2	8972924.3	5479208	0	1298728.7	5001086.4	5343083.2	4517430.3	0	5832422.4	0	3604928	3866863	202134.9	4239616.7	4331745.3	4399275	3813468.5	0	4307714.4	4592190.9	938084.3	2187269.5	0	3892394.3	0	5545271.6	6062445.6	5331518.2	4130252.7	3786075.4	3085917.5	5477028.7	4904357	8298587.6	792278.7	5252142.7	6129543	3731303.4	1088892.9	5364711.1	0	5330451.7	0	4755503.3	5993150.4	4614773.4	0	2093602.6	5739628	6955057	4553138.2	616383.7	0	4376036.2	2236703.9	3641991.2	6838096.1	3700915.8	3296223.5	5940426.3	4384756.5	0	3003443.3	3759958.7	2553390.3	3846476.8	5501864.3	2712720.4	4647551.3	2318894.2	6271782.8	141457.4	4713869.3	2659362.2	5248559.6	3024626.3	1476886.2	4408880.4	5508604.4	1363151.8	3827360.6	2120072.7	3797700.3	4555430.7	6552785	3283913.8	5749365.9	5764122.7	0	2911291	4882481.4	5723616.9	7315636.8	3177564.9	0	0	4476139.6	6958944.5	5011771.7	3606747.8	2739186.6	4013872.7	5725191.8	2242707.4	680145.6	0	1322600.9	2643370.9	3446294.2	4988858	4755476.9	2618847.8	2277650.5	2271233.7	4823390.5	4729254.3	3412626.3	4350273.7	2951475.6	4560491.2	6084652.1	3947333.1	5122432.6	0	4907390	3876169.5	6488224.7	5237129.9	3994264.6	6300448.8	1241386.1	0	2153188.6	1026941.1	2507536	3234776.1	5673924	4811407.7	5276993.6	4779769.1	5306661.8	5287192.5	11905729.2	0	2991169.4	3268030.9	1401761.9	0	2929336.1	0	1138337.2	5145235.2	5469604.6	6928435.5	2438661.7	0	0	3130900.8	1374008.7	3745411.8	2520674
FA 14:0 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FA 16:1 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FA 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FA 18:3 n-3 or n-6 (Linolenic 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FA 18:2 (Linoleic acid)	0	0	2.62E+11	3.05E+11	1.58E+11	87934802691	1.21E+11	2.27E+11	2.17E+11	1.49E+11	1.33E+11	1.81E+11	2.92E+11	1.14E+11	1.39E+11	89862832437	1.07E+11	1.54E+11	1.27E+11	2.35E+11	2.33E+11	1.18E+11	1.11E+11	2.59E+11	3.25E+11	3.12E+11	2.18E+11	2.14E+11	2.46E+11	2.13E+11	1.36E+11	88446429468	2.47E+11	2.68E+11	2.33E+11	2.01E+11	1.85E+11	1.46E+11	1.88E+11	1.10E+11	2.63E+11	63966960680	74636301116	2.56E+11	3.22E+11	1.72E+11	3.50E+11	3.30E+11	1.63E+11	1.05E+11	1.05E+11	1.80E+11	2.19E+11	2.33E+11	78228800394	2.17E+11	68889141851	3.15E+11	51673881722	93632744891	69900181346	48649717960	60752059556	1.18E+11	62477701286	2.46E+11	2.64E+11	54168851093	3.43E+11	3.53E+11	2.19E+11	1.89E+11	2.53E+11	84908147936	74607013922	2.29E+11	1.20E+11	1.35E+11	1.13E+11	1.97E+11	91086980381	2.37E+11	78141565646	1.27E+11	3.72E+11	58010218486	2.45E+11	85391602553	1.24E+11	53721933530	3.90E+11	3.53E+11	30775615239	30524329969	2.03E+11	1.74E+11	2.41E+11	1.56E+11	2.56E+11	2.64E+11	1.18E+11	1.75E+11	1.31E+11	87818690377	2.07E+11	1.15E+11	1.21E+11	1.11E+11	1.12E+11	2.73E+11	2.64E+11	1.98E+11	3.91E+11	1.48E+11	1.88E+11	47557881908	2.88E+11	1.94E+11	2.16E+11	1.44E+11	1.33E+11	1.60E+11	2.95E+11	2.87E+11	1.74E+11	78618006950	1.58E+11	73168112266	59558470497	1.64E+11	1.34E+11	1.86E+11	49436072448	1.44E+11	83765583949	2.93E+11	1.97E+11	1.22E+11	3.14E+11	1.42E+11	1.77E+11	99860333068	1.00E+11	1.23E+11	1.41E+11	1.30E+11	98922382059	1.72E+11	1.23E+11	86874701188	1.58E+11	1.11E+11	1.66E+11	1.48E+11	1.19E+11	88078433163	2.11E+11	3.57E+11	1.99E+11	5.24E+11	3.03E+11	3.64E+11	99602353750	65094000674	1.77E+11	1.05E+11	1.04E+11	86669105004	1.06E+11	3.18E+11	2.70E+11	1.95E+11	3.94E+11	1.44E+11	1.85E+11	47386312917	1.78E+11	2.01E+11	1.82E+11	1.32E+11	98766301606	56117876414	3.61E+11	3.65E+11	0	0	3.59E+11	3.19E+11	1.13E+11	2.29E+11	3.39E+11	3.99E+11	1.48E+11	1.07E+11	2.84E+11	1.39E+11	76872999418	1.18E+11	94439460455	2.67E+11	89133570373	1.07E+11	1.54E+11	2.75E+11	1.05E+11	94289520452	1.25E+11	2.54E+11	2.82E+11	3.09E+11	2.04E+11	22601023037	1.26E+11	1.14E+11	1.92E+11	2.66E+11	1.14E+11	1.24E+11	1.57E+11	2.79E+11	1.64E+11	1.77E+11	74065776971	77842902682	1.75E+11	1.88E+11	1.23E+11	2.24E+11	1.67E+11	1.72E+11	3.23E+11	2.94E+11	35798654993	1.87E+11	1.78E+11	3.03E+11	2.35E+11	1.38E+11	75613211866	62084916761	1.31E+11	1.92E+11	1.66E+11	2.87E+11	66757107081	1.75E+11	2.41E+11	1.63E+11	67839521536	2.23E+11	1.17E+11	1.46E+11	3.54E+11	3.15E+11	99947943567	2.13E+11	39277403855	2.67E+11	1.95E+11	1.28E+11	2.20E+11	2.35E+11	2.50E+11	1.52E+11	1.41E+11	63306749029	88000479586	2.18E+11	3.26E+11	2.54E+11	32534968274	1.87E+11	1.02E+11	41852152632	3.53E+11	2.86E+11	0	0	1.80E+11	3.64E+11	2.56E+11	1.17E+11	2.87E+11	2.53E+11	2.67E+11	1.54E+11	62545344534	2.24E+11	1.77E+11	1.70E+11	75978343283	1.57E+11	1.36E+11	1.45E+11	2.19E+11	1.43E+11	3.06E+11	2.25E+11	97143837423	1.76E+11	2.21E+11	3.12E+11	43754533697	1.28E+11	1.91E+11	1.13E+11	1.98E+11	3.21E+11	2.39E+11	3.61E+11	78631620442	1.15E+11	1.66E+11	3.26E+11	1.12E+11	2.63E+11	1.03E+11	2.83E+11	1.88E+11	1.56E+11	98000873241	1.56E+11	3.26E+11	3.61E+11	1.37E+11	2.54E+11	2.55E+11	98148924358	1.07E+11	2.71E+11	2.37E+11	0	93802619697	38017180358	2.98E+11	2.53E+11	1.19E+11	2.16E+11	1.79E+11	2.14E+11	76360630978	3.35E+11	90524060276	1.18E+11	3.26E+11	1.38E+11	56258462410	1.45E+11	73479942813	1.42E+11	2.09E+11	1.21E+11	3.04E+11	98051949860	2.15E+11	1.37E+11	92647157135	60285103470	1.10E+11	97931634760	3.35E+11	1.79E+11	72449938868	2.22E+11	99982430759	1.12E+11	2.39E+11	2.77E+11	19648295384	20496695865	3.72E+11	3.67E+11	1.11E+11	1.81E+11	1.21E+11	2.26E+11	1.27E+11	2.95E+11	2.44E+11	1.32E+11	3.07E+11	1.72E+11	1.61E+11	1.01E+11	59207424037	2.02E+11	1.99E+11	1.04E+11	1.23E+11	1.43E+11	1.27E+11	3.49E+11	3.34E+11	3.37E+11	81708752330	1.29E+11	1.21E+11	1.95E+11	1.73E+11	1.01E+11	2.12E+11	1.25E+11	53989622003	53171628375	3.44E+11	1.49E+11	2.29E+11	1.99E+11	3.14E+11	1.25E+11	70442620290	1.36E+11	1.24E+11	1.24E+11	3.32E+11	3.45E+11	1.27E+11	1.53E+11	1.02E+11	74388088849	1.21E+11	97904236732	2.40E+11	1.26E+11	1.49E+11	2.80E+11	94121029629	1.53E+11	91175286100	1.06E+11	2.31E+11	1.29E+11	1.23E+11	1.67E+11	1.87E+11	1.06E+11	3.46E+11	3.10E+11	2.08E+11	1.51E+11	3.00E+11	1.27E+11	1.22E+11	1.04E+11	3.42E+11	1.43E+11	1.43E+11	73768768562	1.73E+11	2.09E+11	91432021941	1.31E+11	1.73E+11	4.02E+11	1.10E+11	61703557418	1.25E+11	73879541565	3.59E+11	3.39E+11	3692540544	3338917936	3.28E+11	2.51E+11	1.25E+11	1.20E+11	1.91E+11	1.18E+11	2.78E+11	69387936709	2.85E+11	1.43E+11	67411023153	3.85E+11	1.43E+11	1.83E+11	1.28E+11	2.72E+11	1.10E+11	2.06E+11	1.17E+11	2.72E+11	1.78E+11	1.60E+11	1.45E+11	3.47E+11	2.10E+11	68169190787	96459974317	1.44E+11	3.00E+11	59251056135	2.87E+11	2.98E+11	2.31E+11	1.98E+11	48634331854	43676676996	1.21E+11	83173231122	1.98E+11	1.29E+11	1.18E+11	1.00E+11	1.65E+11	2.94E+11	3.24E+11	3.06E+11	39546030847	58467974363	1.78E+11	41810216932	3.06E+11	1.75E+11	3.36E+11	83763726533	2.26E+11	1.35E+11	1.91E+11	1.92E+11	1.07E+11	1.98E+11	1.75E+11	1.48E+11	1.60E+11	3.10E+11	2.91E+11
FA 18:1 (Oleic acid)	0	0	3.90E+11	4.44E+11	2.69E+11	1.73E+11	2.74E+11	3.70E+11	3.88E+11	2.57E+11	2.48E+11	3.34E+11	3.50E+11	2.00E+11	2.35E+11	1.57E+11	2.29E+11	2.54E+11	1.96E+11	3.58E+11	3.81E+11	2.07E+11	2.10E+11	3.91E+11	4.47E+11	4.40E+11	3.78E+11	3.77E+11	3.55E+11	3.40E+11	1.80E+11	1.34E+11	4.44E+11	4.52E+11	2.82E+11	3.72E+11	2.96E+11	2.89E+11	3.58E+11	1.96E+11	4.05E+11	1.79E+11	1.61E+11	4.21E+11	4.75E+11	3.10E+11	4.85E+11	4.75E+11	2.87E+11	1.77E+11	1.69E+11	3.25E+11	3.54E+11	3.86E+11	1.21E+11	3.63E+11	1.40E+11	4.73E+11	1.08E+11	2.00E+11	1.54E+11	88605027668	1.08E+11	2.01E+11	1.28E+11	3.17E+11	4.18E+11	94297648870	4.81E+11	4.88E+11	3.38E+11	3.26E+11	4.46E+11	1.58E+11	1.68E+11	3.47E+11	2.22E+11	2.41E+11	2.39E+11	3.01E+11	1.36E+11	3.66E+11	1.17E+11	2.66E+11	5.25E+11	1.11E+11	4.16E+11	1.41E+11	2.15E+11	84386978773	5.19E+11	5.06E+11	47470396372	46218730504	3.21E+11	2.82E+11	3.65E+11	2.73E+11	4.27E+11	3.81E+11	1.57E+11	2.80E+11	2.12E+11	1.82E+11	3.64E+11	2.20E+11	1.89E+11	1.89E+11	1.99E+11	4.81E+11	4.34E+11	3.50E+11	5.09E+11	2.45E+11	3.05E+11	90091001768	4.07E+11	3.08E+11	3.68E+11	2.47E+11	2.30E+11	2.73E+11	4.64E+11	5.50E+11	3.15E+11	1.41E+11	2.40E+11	1.31E+11	1.37E+11	2.75E+11	1.96E+11	2.72E+11	86369076662	2.65E+11	1.39E+11	4.42E+11	2.68E+11	2.06E+11	4.55E+11	2.35E+11	3.06E+11	1.85E+11	1.82E+11	2.05E+11	2.92E+11	2.18E+11	1.50E+11	3.19E+11	1.62E+11	1.61E+11	2.74E+11	2.03E+11	2.83E+11	1.90E+11	1.87E+11	1.67E+11	3.68E+11	5.48E+11	3.60E+11	6.12E+11	4.08E+11	5.16E+11	1.83E+11	1.29E+11	3.42E+11	1.98E+11	1.64E+11	1.64E+11	1.94E+11	5.77E+11	4.60E+11	3.71E+11	5.18E+11	2.49E+11	3.15E+11	81720449039	2.91E+11	3.37E+11	3.13E+11	2.43E+11	1.77E+11	1.10E+11	5.23E+11	5.14E+11	0	0	4.69E+11	3.87E+11	1.58E+11	3.73E+11	4.40E+11	5.89E+11	2.47E+11	1.97E+11	3.45E+11	1.93E+11	87789524273	1.30E+11	1.85E+11	3.91E+11	1.30E+11	1.28E+11	2.52E+11	3.82E+11	2.14E+11	2.40E+11	1.97E+11	3.59E+11	4.11E+11	4.06E+11	3.82E+11	69618989936	1.93E+11	1.63E+11	3.42E+11	4.51E+11	2.07E+11	1.74E+11	2.51E+11	4.17E+11	3.24E+11	3.06E+11	2.07E+11	2.02E+11	3.38E+11	3.00E+11	1.55E+11	3.94E+11	2.90E+11	3.54E+11	4.62E+11	4.56E+11	71025863848	3.98E+11	3.24E+11	4.56E+11	3.58E+11	2.97E+11	1.03E+11	1.27E+11	3.14E+11	3.83E+11	2.68E+11	4.34E+11	1.47E+11	3.66E+11	3.13E+11	2.40E+11	1.33E+11	2.64E+11	1.92E+11	3.23E+11	4.90E+11	4.31E+11	1.82E+11	4.27E+11	93053816812	3.87E+11	3.39E+11	2.40E+11	3.80E+11	3.48E+11	4.16E+11	2.60E+11	2.77E+11	1.13E+11	1.49E+11	3.73E+11	5.25E+11	3.79E+11	58265415120	3.01E+11	2.92E+11	89785095816	4.91E+11	4.19E+11	5566607344	0	2.72E+11	4.57E+11	4.37E+11	2.39E+11	4.35E+11	3.75E+11	4.23E+11	3.05E+11	1.17E+11	3.46E+11	3.47E+11	2.66E+11	1.76E+11	3.24E+11	2.14E+11	3.13E+11	2.74E+11	2.42E+11	3.72E+11	3.84E+11	2.16E+11	3.08E+11	3.20E+11	4.34E+11	88877548162	1.71E+11	2.92E+11	1.75E+11	3.14E+11	5.06E+11	4.16E+11	4.62E+11	1.17E+11	1.73E+11	2.67E+11	5.15E+11	2.19E+11	4.71E+11	2.20E+11	4.09E+11	3.01E+11	2.88E+11	1.70E+11	3.02E+11	4.37E+11	4.63E+11	2.35E+11	4.25E+11	3.94E+11	1.71E+11	1.44E+11	4.00E+11	4.36E+11	6135350855	1.74E+11	91939916745	4.87E+11	4.57E+11	1.83E+11	3.18E+11	3.36E+11	3.56E+11	1.38E+11	5.04E+11	1.64E+11	2.28E+11	4.31E+11	2.29E+11	92062383836	2.33E+11	1.39E+11	1.84E+11	2.85E+11	1.88E+11	4.59E+11	1.96E+11	4.25E+11	2.85E+11	1.10E+11	1.74E+11	1.56E+11	2.37E+11	5.55E+11	3.44E+11	2.24E+11	3.91E+11	1.46E+11	1.58E+11	3.65E+11	4.09E+11	40832498559	41568852516	4.85E+11	4.88E+11	2.05E+11	2.86E+11	1.80E+11	4.26E+11	2.15E+11	4.67E+11	4.46E+11	2.01E+11	4.64E+11	2.80E+11	2.12E+11	2.03E+11	93886803305	3.09E+11	3.68E+11	2.69E+11	2.13E+11	2.28E+11	2.14E+11	5.08E+11	4.72E+11	4.60E+11	1.54E+11	2.36E+11	1.79E+11	2.86E+11	3.55E+11	1.94E+11	3.61E+11	1.95E+11	96792133068	1.19E+11	5.45E+11	2.40E+11	4.48E+11	3.41E+11	4.55E+11	2.04E+11	94575143557	1.67E+11	1.77E+11	2.36E+11	4.48E+11	4.72E+11	2.27E+11	2.59E+11	1.85E+11	1.50E+11	2.01E+11	1.54E+11	4.03E+11	1.99E+11	2.89E+11	4.31E+11	1.82E+11	3.10E+11	1.75E+11	1.80E+11	3.91E+11	2.24E+11	1.92E+11	3.00E+11	3.70E+11	1.95E+11	4.76E+11	4.71E+11	3.44E+11	3.28E+11	4.69E+11	2.30E+11	1.91E+11	2.09E+11	5.37E+11	2.29E+11	2.14E+11	1.36E+11	2.60E+11	3.69E+11	1.93E+11	1.66E+11	2.98E+11	6.06E+11	1.88E+11	1.22E+11	2.28E+11	1.65E+11	4.92E+11	4.81E+11	1388745107	672765688.1	4.50E+11	3.64E+11	1.91E+11	2.25E+11	3.24E+11	2.27E+11	4.28E+11	1.27E+11	4.55E+11	2.03E+11	1.87E+11	4.48E+11	2.31E+11	3.67E+11	2.08E+11	4.32E+11	1.69E+11	3.61E+11	2.16E+11	3.96E+11	2.91E+11	3.30E+11	2.40E+11	4.78E+11	3.94E+11	1.48E+11	1.60E+11	2.57E+11	5.02E+11	1.12E+11	4.34E+11	4.18E+11	3.11E+11	3.33E+11	1.37E+11	94922444991	1.77E+11	1.42E+11	3.76E+11	1.75E+11	2.05E+11	1.70E+11	2.28E+11	4.81E+11	4.56E+11	4.40E+11	95331186497	1.02E+11	3.14E+11	1.18E+11	5.00E+11	3.25E+11	4.43E+11	1.31E+11	3.81E+11	1.78E+11	3.42E+11	3.65E+11	2.22E+11	3.81E+11	3.08E+11	2.81E+11	2.78E+11	4.57E+11	4.36E+11
FA 18:0 (Stearic acid)	0	0	39119524550	39682563859	24140763675	19645298217	16264626046	36836733333	57511608637	21514713688	25441748365	40548110823	35038748214	17593614921	21059237705	10059349430	17241830496	18277086866	16617406483	28585597530	38648516776	11095319136	10760954575	43004076455	37280467808	39005742591	35045009321	37651546045	35857535135	23893983337	8818936826	2524714016	49786748811	42046264070	39939746191	37628538149	18510245876	23266043341	46962787735	10565847811	33985350004	11360243703	12776604361	49128963991	45213922531	35644945466	44475476294	42195082921	23842218035	10466164743	12110946820	28447773599	22226884597	42595140864	2066788524	27684128943	3408726089	52075712630	11512758833	9460133653	4826887310	0	0	15576166281	371131486.1	41340573103	32735244894	0	46162654684	41872280963	39693379120	30025356797	42200554487	12112979989	17442511574	34408358760	43776523387	17574825872	14247418194	25688639441	2738578579	24842770759	0	21631189729	78653225881	9435311031	69504117015	0	21282972217	0	44435195005	41999420254	4522339519	4727953726	28748734277	21915846437	42202517989	26137937715	51856960257	37074875538	10994028010	21192313792	13895300587	23667671407	38221715732	30565247973	11097220011	19188033882	14406598348	51103376067	50727232230	30129500188	57001138439	8469821810	16709542569	14754892765	35203731168	22413776457	39890182332	23274107602	12477312970	12895626955	48310984402	70470007198	31946261958	9170958108	26547374640	43798269918	11530030774	22569753973	7355970710	16990080588	4742742080	22875045526	5383705204	59226787864	20118183811	6394692958	40165632543	18292177066	26683988373	7008763790	12422052507	15855886135	29798659793	7006337305	4943297463	27708061378	6822812900	7807313022	16228598656	18399384998	35127273087	7415098900	7163001524	15220524673	23738519532	54201555966	31223207738	90976720941	33012757953	43204977875	9290112743	15942206607	33315206328	22735360219	7374451576	15509303614	14495700553	75837259551	56155399916	32503096031	54304814732	8393482245	16527338575	13401238890	23332976058	27535011034	32832298330	17966251544	4914732793	5802000629	42389193875	41866964274	0	0	25663150842	38265158238	17553950900	37311498355	45888163505	74199994129	17091743215	17440148961	45528477935	33884882634	7386750024	6118584621	11371663505	34938610620	9580084140	2421453908	15881638454	40476179396	11109967312	13885861281	9814283591	49043770081	34193216819	40515703255	44273548276	1033468511	8289048599	11643947526	40505177143	58338517320	7846412483	13140807841	19144093206	72330885385	34692831306	28799962950	11523502260	10176581495	32076681116	16956483975	9440352720	36280133122	15321444077	26536326445	42487264835	40907813325	0	24940945725	32767874889	54649991394	29703628521	16271043747	42539285.8	14367406822	35893030564	34796023647	25630823491	39377511689	13009189684	33040433673	59947138802	18474767694	0	30899259025	13628387694	18276585319	43663854009	42365854701	6997481415	40298019852	1089331837	53919573488	37552308655	17817670270	39542104762	22328666579	34555796865	16277609450	17148418299	5291826069	15249702291	31370705872	69068988969	26625677955	522483011.9	25221905821	17966547548	0	43595480563	30396908966	0	0	24828161848	42483417255	48104294532	19168083823	45331469564	42250724307	53031395097	28940622381	621834354	37792254614	37071033907	16863017039	34184568030	29182199489	16683360111	20776902259	23496644119	16988467283	49318147797	36772302502	15790849398	31619235945	22125689362	40290315281	12593694422	12177951968	27808204915	5532650026	31305457253	60144272140	37682768744	60211931731	3327922223	17583213106	18964973483	76193728812	12036840084	51285097955	13702561500	35705737515	18083786164	16138706785	13286003429	17555062931	41142849998	41881416098	23561199852	35038702924	32751499683	1295211281	151521.7	46571963375	33588487963	1457475185	2833523226	18594706200	65439848604	43772129437	19111571577	36421547037	28792442591	24431186495	2085917432	54113320333	2007019894	16261510810	43439566486	15276411482	0	30625705822	8669907187	12772126546	18142144134	1732248102	53027902991	8738785324	37367966467	14980939181	1546205370	26055231190	4620024228	25055452044	57967614111	19093861077	9640576277	28111963046	1122961729	11958341481	30396226472	36074637733	7171067932	7061427427	42317006815	40459361824	13543515304	20900332565	11525173237	38988259394	22925975772	52635398255	40307970356	19192078050	51166325259	23719627365	14944123012	18788565230	15830596825	23584539386	31900023706	16088981733	10661199665	14310157040	12632246383	77129405525	41679603933	39264544557	11855636774	19372802892	16804457638	17915707934	25522108548	14199052779	43116034163	13354067656	19670308720	12426724015	66403187539	12835680935	48258137119	30197038702	48853882621	11392457011	14113936231	19770228926	11030161892	18607831051	40442378059	40538886072	16692320412	17222603821	16442632114	11566569291	16396401762	7215255797	39473100539	19770217743	15418306029	37644055234	12934489897	22132134135	22293787980	8956260839	32850293373	10307561830	11656207475	20900820850	3263150009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Retinoic acid	6098127.9	6010934.2	8407088.5	13528884.4	6605386.2	4333259.8	8582963.5	6614060.6	5517132.3	9164120.2	7041608.9	10072194.4	4836300.8	6980516.8	8518778.8	6844028.2	6084379.4	7477002.8	9076827.5	12426706.3	8977832.9	7912600.6	7933400.9	10354527.3	16223418	9742081.3	10604719.9	15636032.4	19626531.6	12030970.4	6042243	6741703.1	5646788.4	13912495.2	8002997.5	11251249	10847250.2	8444519.5	5944048.9	4932582.2	19341719.3	6600295.5	6140564.1	15146162.5	22840226.4	14547227.3	19700632.7	12557357.1	6098300.6	6851188.7	7311941.9	16263392.4	7485108.5	7666180	4685002.9	9266609.2	6283626.3	16836245.4	4622368.9	5453980.1	8121682.4	7130276.6	4827027.7	6308158.8	5928442.1	10463420.9	26301144.3	4608308.9	21173545.5	19525271.1	8851725.5	9259189.6	24723501.8	7522677.3	4733411	14520858.8	6754098	6901593.8	7188931	28844841	5069483.3	9574273.2	7177935.5	7821034.3	9002077.2	5382717.4	8708199.5	6411498.8	6897130	5824761.4	25568129.9	19629882.3	7388190	8465344.6	6571977.5	10855279.4	9509187.7	6716075.1	7516077	12866334.7	6590416.3	9109502.5	8061848.3	3977130.5	9691636.9	5135735.9	7699995.1	5408461.8	5059175.2	21984818.3	12581919.8	12858703.9	15226895.9	9594480.5	13052039	5719315.7	9717868.3	11174120.9	13993343.5	9790922.6	8156991.6	9781794.3	19270991.1	25600912.4	6750368.6	7228082.2	7680107.7	4674378.7	6971100.3	5488753.8	8207050.4	6083045.8	7024218.2	8991564	7286304.3	4680451.1	6557685.4	7403229.9	17814679.9	13258775.7	8829707.3	8345156.4	9009921.8	6661101.7	10278012.8	4811244.9	6272689	8068443.7	7164843.3	6665919.4	9208236.5	11129165.2	8630260.4	6142156.2	5010107	7134041.4	11679856.5	15546850.5	11544194.9	41594797.9	10630169.9	12406103.3	4469973.6	6189065.3	11642151.3	4826968.6	5162166.5	6309982	6301861.3	24562335.4	8536461.3	13133107.4	20331540	9119507.5	12369052.1	5839880.9	6711279.8	7782462.1	13978497.5	9234868.4	7137372.1	7223498.9	12482579.9	16026139.5	3103629.7	4086720.4	18649233.7	12414295.1	5549324.2	14618489.5	21142419.2	21075390.1	8839068.3	6644313.1	11428128.6	3014379.2	3122029.3	8224660.7	6805102.9	2338605.1	4586907.6	4146122.1	7487710.7	10260202.2	3605811.8	4817841.1	2001058.5	9110830.9	14508292.8	10873028.6	7460057.5	2691162	8030857.3	5598668.4	8833804.5	8399084.1	2495968.1	8275041.9	13976412.4	21346721.4	10575928.7	7107776.4	5629767.4	9970789.9	11088210.9	5540106.9	4591550.7	8454015.6	2510369	9625518.1	15026058.2	9337231.7	6166684.7	12112509.3	8269009.5	16119962.6	10492419.8	6725700.5	3097076.9	2349789.8	1500442.5	5592103.1	12635996.2	8319304.2	9414433.6	25737295	24010464.5	11393454.8	10004184.7	13113812.8	5870409.8	6006814	20277294.2	21690038.4	10747825.4	17671795.5	9970181.7	14514949.7	9830002.1	15620024.9	11466967.7	6366476.7	12689912.2	3353752.8	10133484.3	9483112.8	11514604.2	17227289.7	12484994.3	14662343	10393900.5	11341792.1	6897754	10604222.7	20136112.7	14634392.6	5960687.3	6040833.2	8890886.7	14117736.9	10384086.4	5537178.5	14088031.8	9770125.7	23928698.8	7298414	5766882.4	11061314.7	5874605.9	6783617.6	8465262.9	9535148.2	11730653.6	11226022.6	4266413	10786739.7	27582676.7	25742643.1	10839097.6	7530306.1	9954288.8	10636656.9	3768462.9	4304721.9	7099830.5	7321009.5	9205387.1	6829917.6	13358601.2	14358137.9	7179758	11835878	8803179.6	29788491.6	6973571	6029313	6843853.3	10941837.8	7670507	7678466	6345469.9	12690610.1	13673061.6	13283350.6	4043173.9	18848850.4	10235445.2	2265191.4	7033584.9	8920392.9	12338706.2	6162759.9	7159981.6	6383448.5	15932183.2	15663428.3	10395300.2	6404687.1	7979927	14653375.2	7827521.1	24993074.9	6228428.1	2702503.4	12431534.8	7452777	6330266.4	3755873.9	5412693.2	6405903.4	12459229.1	7871048.8	6640208.8	8646833.1	30372481.9	8788941	9991987.3	9947579.3	9058549.8	10290989.2	13893720.5	10903072.7	8972931.4	11551683	9244540.8	9394610	11328124.9	12998241	6897420.6	7350361.8	13509181.1	13912886.2	8364284.5	12510216	7971999.8	8845503.7	7790552.5	9537293.8	19347567.9	7851607.9	11986163.9	8557496.9	8741926.7	8459911.7	8757614.9	7184784.5	10072115.3	8452673.7	7875243	8523636.9	8176736.8	26952573.9	14678150.7	13973940.9	8351709.2	9398721.5	8718323.5	8811107.1	4929052.9	8530069.7	16509262.4	8401976.4	8045797.1	7826505.1	15500241.9	8725400.7	53678070.2	8559788.6	12474388.6	9105957.4	8558016	9265315.5	5463155.4	7974335	11473563.3	12135198.6	7909533.8	9329690.9	9247653.4	4753034.1	8575544.8	7925301.7	14181392.5	8565720.4	8873796.8	13003301.5	8431920.5	8829055.9	8055906.8	8767760.8	9190206.9	8843994.7	7552684	9572057.5	11509434.1	9475047.3	13652578.1	11328899.2	10891150.1	10594474.5	10109259.8	10432939	6423567.7	8529688.8	12436767	9010102.8	9201943	8118623.3	10666570.9	11904791.1	10092273.3	8884028.3	9340669.6	21891220.9	9883263.5	8787795	9620103.9	9358122.4	12753747.6	10993501.2	7205729.7	7272467.6	11374419.2	10506013.9	7030213.6	7541187.2	10975027.9	6603467.9	8147691.9	8686773.6	35381515	7902205.6	7718138.5	28923526.8	9409752.4	8880508.4	8001832.4	10169553	7819257.2	9403168.6	7979104.4	10550805.3	9710719.3	9750984.4	8892718.4	15991993.7	12068680.7	7904521.2	7562252	8773483.7	10404433.3	8128220.2	11938150.2	12049486.5	10934860.5	10093031.7	8013077.6	8596991.8	6927844.2	6645670	9755044	7886658.4	7672985.3	9093911.3	8316407.1	10295562.1	12487694.4	15387271.5	9103603.1	6752059.1	9115807.1	7642438.5	35286829.4	9539670.3	12979452.1	7374375	9454156.7	6489810	7608778.9	10059474.6	7371072.9	8606015.4	7088065.3	6875496.9	7198009.8	12192617.9	13619638
FA 20:5 (Eicosapentaenoic acid)	0	0	3747370720	4824244451	919947521.3	0	3072064893	1970314703	4614069344	2576471946	428604225.6	1887752301	3746518999	0	914900732.5	0	295012183.5	359937344.1	1640063053	4721099753	3265465452	625505188.8	0	2196636950	6815519270	5452439052	4319369725	5280841983	2613379810	3775921476	0	0	5550182806	7120562012	1549122680	5796359039	2334303422	2339449254	1984295713	230131571.1	8567404052	0	0	5325449291	12352793417	4596205850	7842744471	6211615352	1101745938	0	0	5054155820	2062989716	4129085766	0	2757792231	0	7252064388	0	592881750.7	304595640.1	0	0	1033126112	234219364.6	3762953038	6460862225	0	7035272741	6806137159	3521882282	2963292504	10605797510	415696681.8	0	5197876891	206408630.1	1221017480	1421417997	7795600682	0	1674433889	0	547378425	9520238964	1764587.1	5062852054	0	265696321.9	0	9039208636	7330239170	187099548.6	0	1950158113	1458115313	3334964890	1562308154	5450427513	5017035919	383318381.8	1450367230	1071996302	414255777.1	5358508308	682214743.9	619428380.5	699674848	671031868	8540832543	5203615963	3545773624	10476929771	1251635147	2826432151	233835800.3	3889046581	1727758394	3486198754	1298257844	1188087624	1151766992	11130850825	11708306087	705439906.2	353680182.7	982017935.8	281835176.7	327503794	3241652366	744250921.5	2097714691	288251108.3	1922282726	276530241.3	4350442623	809439588.6	1269758642	4971578218	957370221.2	2329972454	1621549221	2041872779	959227103.1	1994988541	479837754.5	607310970.5	2370997172	394911159.6	307329837.5	3976889044	1144416184	995141475	466673271.1	492234187.6	1034754494	3354201928	7825930032	2782839573	14233894797	4952742036	6445460324	573713180.6	281325684.8	3513566968	610148637.8	521475389.8	530764170	569153880	10449976638	5177828242	3576212891	9562840847	1159345735	2633039039	229348185.7	1737419255	1655988421	5094793205	768588874.4	459480998.3	368147441.6	6511732996	6243843927	0	0	6461661992	5366824336	618031868.7	6784838555	7528122483	10562557586	955664556.8	228311937.5	5082899597	332784138.9	88717774.8	192882589.3	72355037.3	7747193047	0	0	1084088564	7283519992	459046863.7	36956897.7	1275092699	2869256534	4018598008	5014650924	6569163035	0	470665374.9	386121590	1463895923	5278404201	157745872.6	1023128631	1574973159	7625879542	4395693996	1411384859	696340014.1	1908540077	4641703360	2336554383	0	4947463903	332548490.5	4451511207	6273759937	4560625326	0	3235966393	1944025677	7035276652	3219016244	1305482138	0	0	823378825.9	3006370435	1735644680	3565695667	312897696.4	17666646334	5824440818	2261754537	0	2311200367	0	1921643861	6494140102	5903669001	776092553.9	3886121319	0	2418994885	2158808118	2860200465	1251976522	4326499533	3331455326	1334124914	1663127232	0	0	6608700769	3930937875	4084610036	0	1598463018	626875694.4	0	6687239528	3552576238	0	0	1635562869	5671945038	5867442962	1682657497	4728875602	3105875777	11777727347	758326492.1	0	4313104965	1204065316	1030878215	1303451189	3364376650	3101441931	6573692994	1665580718	1758494777	8633718098	7268127502	1658369051	1504024608	1826408688	4102257354	0	348630502.5	1126717966	621309591.5	2955905072	6695642460	5765645437	4129003268	69941235	0	614816325.5	12701687299	1656999317	4119893712	1363524568	2625550465	2297477775	1086313827	1716075137	1773598188	4647637806	5316083083	381743093.7	7218011458	1853737560	680578932.4	217185997.7	2415698131	7909839024	0	877465454.6	0	6382389083	4670543407	677328569.9	9673580595	3972687325	4593404365	45406116.7	12911981283	0	767295681.7	4155069167	826445930.3	0	1437277551	0	0	1156105368	589147606.1	3402945942	1575847526	6836056980	1871683764	487169006.3	120500813.5	0	1026451540	7417699303	1197054968	346662276.9	4376269058	0	672216245.7	2254718008	2920174965	673281204.5	671876823.9	5409658091	5779948998	1150846472	1624855499	986818001.9	2236580913	1038926011	6635770061	14459610491	802340111.5	7004083295	1606193805	2296446280	976800697.8	876756166	2118337980	4199351457	1210858814	933491132.8	1171194675	1691166379	11730412171	5436567343	4665587629	768728889.3	1678246511	966399717.3	3042811936	2642554021	773333568.6	5455446856	1363926450	829629743.7	730079938	6368782692	1260470194	22128540884	2892712934	5114497276	1300923421	721157210.3	2184895957	819640879.2	1301697354	4490137463	5102093326	1334652486	2396950366	895553123.7	792709617.4	832728055.3	748157697.1	2762142934	2017803516	1118238787	4192502670	1039397195	2336469797	962114790.6	2120783095	3055722675	983531887.2	1528330747	1616930801	2108131598	1344000406	4960693609	4783622328	2359051225	3256605798	5039424314	1555206762	1589407465	923268904.7	5062180264	1125690829	1015458469	781067919.4	1791131461	2333059118	1041397432	787952717.7	2705342999	3337623699	1156694747	762392554.6	1183781031	1773789213	5312930579	4264626451	182077131.3	178755949.1	5533755380	2829303998	775807228	844037755.9	2246561121	598265604.7	5094841295	539745699.5	14918568258	816092131.9	565537567.4	11789994233	2724204094	2431093237	621402326.6	6821757508	591810015.1	2629671821	528992722.7	2781412919	3070619548	1673318118	993561945.2	5637138585	4519157646	36966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MG(14:00:00:0)	15377766.1	15041289.4	375142761.9	346105235.6	360510791.5	354962716.5	326250658.9	403134416.4	593508389.4	432850543.3	362177070.3	445141947.6	396411216.7	292038912.5	338694947.4	217759820.9	258665950.7	257839478.3	400160771.6	447165636.5	480473245.8	241135157.6	195767153.1	480434991.6	379647789.4	392287567.6	376339565.7	439050379.5	381015100.1	474928742.5	186595535.1	134745143.4	511363351.3	519262630.8	443976414.7	682835735	314136200.6	375074383.9	454850286.9	243862060.3	442168504	203041978.4	243380459	478474708.1	560201700.2	475634812.3	447013085	398455389.4	493402961.1	211744804.4	227815828.7	459819503.6	392205030	474147199.6	182664502.3	453503586.2	195697823.2	704604614.2	252918782.3	216472973.5	148563401.3	120544890.8	110895515.3	275128963.9	143905557.3	743152913.6	427044753.1	61572545.9	425420381.4	383523485.6	505108501	459363302	440445693.3	216229419	255715690.7	436223574.3	502668313.7	337634927.3	254672777.6	498099952.7	193808188.2	421134952.6	100540402.8	358904784.9	640781080.9	259082952.2	680953630.7	83077146.6	390534511.9	133343376.2	424510669	404118476.6	48961824.9	47778589.7	335613396.7	267178581.6	489608243.7	378269840.4	545934556.7	529704686	185809819	375694583.6	224047079.1	387189164.5	692979059.2	416610139.6	220718391.8	294627323.8	288964552.7	489604204.8	549437830.6	368406282.5	661095028.9	195611437.8	357963713.3	187390884.7	388328157.9	248513337.9	503343018.6	356616538.7	220578432.5	243328126.6	511294862.5	860057636.6	553214869.9	193114729.7	379994497.1	377590276.9	183897828.4	396066954	270089478.7	323979333	147337885.2	352537291.4	235344474.9	751692755.4	372991043.3	180645026.5	414832955.1	242801619.7	423308986.5	168086830.5	339558396	290376728.8	451105141.8	168620107	270099408.5	489845930.7	221994976.1	216521806.2	270697881.4	325250675.3	514928594.4	181192491.1	240733403.1	239262584.8	395123523.3	605579231.3	447445458.2	644113384.9	389966646.3	392122547.6	198519730.7	320072531.6	574309839.5	325993862.7	321454921.3	244161416.1	295196696	525682581.9	500081302.3	356832357.9	595483782.3	191438989.4	355522390.2	179874931.4	313780824.6	323807390.3	376385872.9	349037797.2	190035701.2	183509881.8	402665197.6	337073222.9	0	0	416604433.6	247357168.5	342887315.1	319936492.9	605823416.3	689657772.7	160405883.2	651756741.3	407324851.7	279381465.3	228820178.4	174071866.6	201603071.8	458037606.4	211774260.5	461474917	119698324.1	520015957.4	423121440.9	236288424.3	245536915.7	396557460.2	361340351.1	203691017.3	486888786.1	200764590	201498115.9	250107541.2	441434676.5	560714866.4	237383583.8	273370288.8	353837182.4	580580281.8	321178968.7	454695287.4	365997343.7	244772323.9	445011472.7	336382157.1	162974065.9	422174593.9	393732265.6	339998203.3	434768509.4	373425479.5	227722512.6	307460179.6	301125408.2	453806580.1	360746446.8	334638601.7	157523745.3	183217743.5	558802582.5	420271167.9	350436078.9	364725556.5	292326844.3	379036615.4	703709812.6	328280317.7	143747987.1	395052790.6	231660787	382278249	425481237.1	356385933.5	543463930.4	723742128.1	172614535.9	608568534.1	549970476.5	428192033.1	502198578.8	474730260.3	388510899.7	364213684.7	327393265.3	252836983.7	395589865.1	393584556.2	768241860.9	371643994.8	101600677.1	325889309	308206343.3	141571248.5	439759606.5	329073401.5	0	0	291892158.4	372598460.5	576275599.6	314061048.5	550448850.1	517491189	585465017.5	589694151.5	292125594.6	480128551.3	455769314.5	312185802.5	445591060.9	483571984.6	354640416.3	334658310.6	408463105.9	268692255.7	607562397.3	580376017.9	238468195.6	495310074.8	240421446.1	403709902.6	273502038.6	378856305.9	463108766.7	290272593.3	374175764.2	509690807.8	433882859.8	910994881.8	182620675.3	297788812.8	256747280.2	718324295.9	299880060.4	535127424.8	262744334.4	454713583.4	307697723.1	287922296.5	256830640.9	367528269.7	383670016.5	394793920.7	269298700.8	382898805.2	419501061.1	290003826.3	280330783.7	469294910.1	566067707.8	40104924.5	165744670.7	272746346.3	622444024.3	522257402.5	271850033.6	515036625	370229978.1	320326744.4	264968055.4	557927601.4	213355548.5	266290677.6	409419024.2	181511828.1	102937334	401472473.5	202205380.4	345442187.1	276171830.3	294380076.1	339713974.6	377167512.5	333722053.5	267564224.7	144682836.4	346138820	370719050.6	279868176.6	390798521.9	212831109.1	206695710.6	274513557.7	153508877.7	206855467.7	341773909.4	369023825.7	61251508.2	60529060.8	438184707.9	386422814.8	235801749	317729370.8	380811139	448423244	350615017.2	517459327.7	487988370.3	287623579.5	782793938	401329076.5	268258873.7	469007993.1	324690614.6	379237876.3	372397327.2	258678197.6	350265453.5	308417898	392336795.3	1033318987	413768200.9	387641709.4	197347986.6	312337916.5	189235087.3	300431323	455490013.9	181693284.2	408744735.9	306476508	317659931	205423500.8	518229384.8	333555803.1	527960297.3	502020727	595641369.3	227131698.3	234876300.3	405080467.8	235976318.9	280880251.7	419946980.5	373312841.7	388832897.5	358461248.1	251545619.1	236077369.4	254474055	215488742.2	477372537.9	309295556.3	329817061.3	42796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FA 20:4 (Arachidonic 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N-Acetylneuraminate	0	0	19863173.2	19990556	6798910.4	4110136.1	4412560.6	4731546.3	7164517.5	1486113.3	7899678.1	5857035.7	5600440.6	14366951.9	14521915.2	1795430	6373793.2	4229946.7	4810890.9	5933396.2	5927247.5	7297298.7	0	10153321.9	20459541	19314325.7	3199240.4	3282033.6	5747220.1	8737222.5	6469471.9	763524	3365710.7	1382631.9	10100699	4320616.2	3235119.9	6240539.1	2359010.9	4079402.8	7360310.9	3981017.3	14978.3	1766093.5	6225296.1	6046444.9	24732522.4	21533690.6	2683954.9	3431307.6	8658011.6	5960864.7	3212154.3	1878223.2	3130726.1	2786809.8	6798427.5	12859442.8	1808646.3	4580153.6	6297648.2	281623.5	2634957.7	2370549.7	6044144.2	2870732.5	0	9747066.8	19020721.6	25511911.7	11087818.2	7154758.1	4913291.4	5673497.9	5755527.5	8325186.3	1536636	3457424.5	7295795	10158987.7	8861973.8	22183510.1	7592662.2	4622840.1	8435225.8	4093868.9	5376278.1	9517552.5	3029301.4	24291258.2	28659102.9	25521281.7	0	0	29589958.6	24502564.7	17451736.2	2534103.8	5185152.8	5074793.5	2567152.5	8393480.9	10722366.6	26247191.7	4928947.6	4874635	8464529.3	3601127.7	3244255.5	7309309.8	2702811.9	3603273.3	4825279.4	3474307	4749680.1	7107246.7	11441139.9	23444007.9	3509379.3	4165809.7	4898061.8	2152240.5	2495133.8	3010201.9	5014360.4	6644574.7	3445098.6	10358752	8079965.1	20285555.4	5215034.4	4493295.8	3389921.6	3535941.3	4319690.6	13908320.7	5474869.5	4231468.9	26563919.9	27880957.3	2223697.1	3026084	4390298.1	5475432.2	5621583.8	3961478.6	2968351.9	5409749.1	4882642.6	5433546.9	7633522.8	31792162.7	9691634.4	4195795.2	2969818.2	4823043.2	5372782.2	4452412	5942309.4	6482427.3	16211734.4	20380916.3	11973596.4	4673757.9	13034539.1	6402649.4	4439735.6	25245320.2	3594539.1	4500159.4	6465250	2184299.7	4372502.9	4515176.4	3907298.5	3341429.1	2799411.4	6558394.1	5948690.9	3456114.2	4638830.7	3496920.1	14904679.7	12919310	0	0	22503075.9	18690203.5	4189486.6	4027767.5	8077458.5	2158542.3	5909486.8	6510404.8	4366980.2	422180.7	6793772.7	85623.2	4890238.9	7229333.7	7158298.1	3525873.8	5904167.5	558664.6	1440673.6	5840638.8	588907.8	9235818.7	20576717.8	18420205.1	8972606.4	2360355.3	8126825.4	7460115.2	5113532.9	9220916.7	7998731.5	4520998.9	3366714.6	6444275.9	5699431.3	2460493.4	2323416.8	0	892474.7	8506756.1	6467730.1	4748942.1	1844689.8	4062272.7	22008933.2	20186701.1	5745553.4	6379074.9	8763445.9	0	8536087.9	6361753	8873741.5	10845742.2	6809642.7	5114188.2	5761191	28976024.2	6114135.2	5159343.7	8578120.8	16040742.3	9364447.2	0	5705347.7	534720.5	24357752.2	23418724.9	6587563.8	5239807.2	7469939.1	23971899.2	8949643.6	2485956.4	1701278.4	6208275	7560418.6	1831056.6	5275800	3603472	5826278.9	4356230	18712837.1	3815444.1	1105895.6	1011513.1	3950912.3	2381167.7	24461035.4	21790816.9	433945.1	0	17748053.5	12476638.8	6303154.3	6626407.4	5598389.9	7380844.6	7208495.1	3983899.8	22283567.7	890366.2	3145737	4548300.1	5457850.9	4826758.3	5701469.9	975256.5	4361547.2	3177521.6	1520852.8	4750559.1	4835302.3	4969773.8	30068291.5	13394728	3355742.5	6058763.8	7597969.5	7169764.1	6911485.4	7564582.7	6126760.4	2874864.3	3389111.8	3201863	26377480.4	6686569.6	6069705.6	5927955.6	4443528.1	3216605	3939772	7250869.9	11232001.4	11628907.9	24789700	19593095	3553829.4	6500796.3	6707698.2	3021326.6	8593229.3	2721365.1	3485588.6	7656802.4	5007883.1	5853527.9	16332143.4	4679768.8	12641475.8	3700535	3136875.7	4439532.7	3403706.7	4978062.4	1942771.4	1826176.1	21051102.5	36963924.4	7573647.5	5795289.9	7097431.7	6507809.3	1914680.6	2798602.2	16336947.3	9801246.7	3271992.8	6358368.3	4088373	4632633.5	7712848.9	6654271.5	4124647.9	4221872.2	6369818.8	5694279.3	2157760.3	5830505.6	34212001.9	14484672.7	0	0	20781459.1	19255671.5	0	5035280	6730489.9	5000277.6	14481207.3	0	7534701.1	3350459.1	3628358.7	13300985.3	1356669.9	2590769.1	1915200.3	7186119	0	6325961.3	2955205.9	0	10642679.7	5181550.5	24287331.1	21277500.5	7668324.2	6110825.6	0	4162235.2	2551113.2	4431880.1	4986728.6	3951313.5	12904289.5	8451778.7	7144013.8	9083556.4	8098252.5	10189162	9950531.4	6039609.1	6013813.8	2377701	2701741.3	735106	23238813.5	21598802.6	5577693.1	8564263.5	9127941	932795.7	9409655.5	2128574.7	4671468.3	3832161.9	7050405.4	9540939.7	6247376	1069073	1376684.3	0	10776182.1	3226193.6	7654939.9	15133006.4	2766063.3	629801	27324835.7	22385354.1	7236860.6	847172.4	5686452.4	8170922.1	7576636.4	7913730.2	5878977.3	6895682.3	6747685.6	5674302.2	4623680.2	7142077.5	1493201.1	0	9631205.9	7557059.7	7305141	6956756.8	8788541.6	10784582.1	27675275.3	26512333	0	0	12326733.3	36196238.3	4626307.6	7093498.6	4236572.1	3476902.9	4595244.3	1928743.5	4830833.3	5959963.9	4608788.1	947781.6	5700353.2	6317546	1902744.3	6938240.4	8038905.2	6228588.8	9170808.1	3407088.3	12612022.3	5105939.6	27066963.5	14280159.9	3994979.7	3748591.3	6142032.8	8565144.9	8610591.5	3829890.1	9796516.4	5479446.9	5266757.6	7438912.7	2587906.7	3174789.5	4102382.1	6247690.7	8573470.6	6808282.3	6335490	3141568.4	5767820.1	4913668.2	16071288.2	27479402.4	24959983.3	3874400.6	3214784.9	9684867	3755099.1	2921315.6	3656206.6	3371616.8	3886766.6	3121595.8	6564545.7	8232572.4	3347174.6	3109797.3	6124791	2199471.1	4214926.1	24102043.3	24799612.3
FA 20:1 (Gondoic acid)	0	0	18834476100	22625302199	4570318173	4515962143	5605120055	13929115447	14583623657	7351614020	7333093449	10689004520	13150710377	4124657308	5168522919	3213363260	5846848562	8240725694	11997175798	12662078672	14898604277	2793717089	4955437832	14595612453	21067804118	21729599595	13151262836	11779787115	12491492797	10725015995	3675837116	1147121196	25350183699	21443079281	14593508117	20020796725	6171062836	7865137302	12170774729	3929723573	17697632397	6219294922	2868929128	22344620509	26688448510	7884753442	25244364031	24904066731	9256476576	3158423974	5424374126	11333606640	16823431342	11638257135	1315972912	10602482610	1969202373	34523104855	595146433	2035038021	626763908.2	1252714763	364826389.5	2464136811	1626394119	9651181949	16075975024	647102744.1	25732937223	27106160333	11141673243	9606846068	21158014170	2591638164	1809196389	11572319209	5285750375	7117351671	6391839679	10210842731	1001413432	13149235773	1073342197	9019832461	36403128734	471449197.2	20847490638	1417051417	5298511226	1901783618	28043377740	28034650854	1773957941	1769322635	11871133827	10131296623	15023252508	7664060108	22153649947	12472788628	3589241083	6456638290	5712745223	6076254562	17261149882	6082523106	5060783930	5782859158	3868026728	31303016642	14883240236	11490778130	32634965908	7532821569	9035809438	2588732471	17178813082	10987793247	16278308083	7883701691	5759924455	6335645557	22313186008	36012013908	11598650460	3121725520	5187537328	3905497095	3107819350	8004950951	3813654751	6591977212	2206076575	8355717035	3154330072	22662395277	7335965988	4132952728	21267178982	7445465095	8625063157	3242711522	6340337731	4537716367	9347698061	4434518982	3025585820	9228468652	3802159155	3690588768	7654139215	6027288389	7636366602	4322135036	4614499225	3642723358	11766871347	31558408471	9419196809	37603088930	19059929953	25305175529	4984303780	3404857412	13746165798	5260063960	4500853855	4541652022	3673424203	36807854620	14791777385	11939366398	31223226284	7271135366	8917064130	2535324482	5533575806	10578034179	10460982198	7614985563	3792183797	2801707276	23396923689	22850003004	0	0	13751902801	21364134809	4736660419	13513973368	23843883808	49787320397	5713221586	4583399225	11616424187	5640597539	1857359787	997230438.2	4833910124	13221352861	3011901562	1246397382	10552859033	20298408833	3255154511	3823472721	5081548572	10372846182	17317619706	20842612922	17189046218	898659197.9	3585225045	3994487980	14189281872	31052741728	4819238717	4714064744	9564645345	23493657336	9015548168	11007380569	4546510429	14922582806	17762589520	6719308966	1530039271	12372683549	9165808890	10575358247	23545171243	20919007245	0	10213183276	9015425090	20801331539	9690689072	6542279003	1574717598	4002828919	8777988055	14490666110	8475577400	20012075915	1411649039	24297362489	10720027826	6633174500	927900288	9802455642	3105134882	9239634381	25334392662	23746476361	2157298882	18603428479	1170033521	15977016694	12315118813	5499475949	16749690302	10382683794	16201714682	5843508289	6523373438	1527370074	1746161404	7849138746	26615704524	12815042491	0	9281677176	7532668623	0	25212122002	17887332838	0	0	10707910231	23661611920	17400779730	5775349634	17194948279	10703229590	19347751938	12408216592	2045926207	10856331506	16025876652	7796376876	3241804936	12708709101	7986050326	23619047762	6947230762	4682898602	10648169529	17475558892	5502241004	8520294017	11501978991	20563707696	1872314394	3496497963	7984655785	2542576368	9016057908	35872395466	17933614102	35715061286	1485410162	3772951244	5528498652	42941752869	4905075555	25824990016	5353877373	15859646456	6705052602	6724800273	4447616219	8021730619	21173476441	23199829939	5007123305	12642448446	13193605069	2900379830	1516495869	15240866649	23714066343	0	2500783531	1998243502	24211765501	20839350677	4361058960	10508526580	9071578583	10711617895	2283464369	24621986653	2473658668	5553309139	22214852507	7095012305	898350423.5	5059887050	3623160527	4111785581	5900342345	4323919974	17390667803	4413360412	13400252427	6799008045	1544892249	4379151438	1958363444	6159058385	22640449726	10756585579	3674859544	10237722959	3218407237	3478527878	14006315345	17730031088	1939700023	1935653488	22702911616	24223263899	5558601201	6492711873	3799735699	20253081071	5736081817	20174623358	21212869974	5845715727	21642331668	9040353286	3872353319	5188355871	2828400685	8191190465	11255648638	5714877230	4552340836	5888709828	5157283624	40075382085	22046607240	20961157182	4572512439	6384723322	5790070365	5908078061	10984573635	5494667718	8911513753	4310184065	2765795378	2808163571	37120201081	6190199219	19864765812	12696378624	21046266925	4770585832	3627629102	7147152804	4627973453	5583066548	20397708338	23351393484	4341394064	5574300525	4993985718	3449405161	6393600983	3559023075	17774798434	7491714657	8836776351	17511745763	3882827782	7641230641	3695527106	3985350631	15057205164	5807913133	4841067571	8514213154	11586471556	4563129292	22672489252	22494514302	9995090003	8407590920	20070004413	5478857570	5754436797	5034523734	28990412420	6196129860	4630985383	3191793441	6392353637	10359440777	4159388559	3774506169	9753872590	43651128456	4401801937	4023242465	6607377626	4245831401	22661771657	20475061489	0	0	23513691232	15187873378	2635258283	3605171713	7505164848	6537153650	22590574698	1679678571	33121606516	3320693031	3445647445	25007407795	4467893713	15298260102	3879996157	19768325380	6860488160	10610589263	4423334186	17590317623	7075065772	9044562596	6371645577	27644927242	14648610358	4061637860	2098336810	5516640454	23171698724	1031744530	24118714513	16253033230	6756265375	9699852564	1365309685	1919054343	3528438440	2088355036	14066725939	2721492232	4153678324	1846775310	6359641513	22588944138	24246663783	22297891668	4397293934	1450303999	11703385633	1616518868	31315912657	9273629916	15254316981	1169858339	12335419828	2644177866	10405864794	18351827008	5559202198	19462526421	9684087658	11011557721	9536994007	23808186129	21391664156
FA 20:0 (Arachidic acid)	947960.8	1924086.8	97741998.4	115860190.4	31918200.4	23778120.4	52574289.8	45418370	40280228.8	49941977.8	21972838.7	42044401	104496751.2	25688393.7	22163425.8	11254856.3	22235174.1	33743695.3	26339773	90053462	44890833.1	23712383.7	21465688.5	77927287.8	113007937.8	116465084	48107332.5	45849079.7	50839528.9	61688352.1	23772881.9	19858547.8	199651101.6	75836954.9	26069111.7	264235373.2	29603267.6	41326172.3	52889917.4	21082303.6	102894200.8	23992326.8	21847414.5	99734616.3	128164107.8	40239818	126312663.7	123235119	36080238.5	27115429.9	27708645.6	51732865.1	80992422.9	84187969.2	20645555.7	32723172.1	0	199599456.3	18127025.9	20063928.8	21770201	6818136.6	5849848.2	23993555.2	19762333	51000594.5	70768970.9	17294285.2	129692578	142017145.7	35678548.1	13921843.9	68503688.4	16197691.6	18559615.8	36585238.6	27097622.9	22714078	26896794.7	33040051.1	12707955.6	76952777.6	22217979.5	37394979.7	156694502.8	22040054.4	206935855.3	26751033.4	26500525.6	11566939.2	141114731.6	137279902.5	6906561.2	5715329.5	57537745.5	51970778.8	33151743.5	35793718.6	205488590.4	62299743.7	27202675.6	29269575.1	24789787.3	17039370.4	195627382.4	32657781.2	20965200.9	28751085.3	20327911.9	167058536.7	80469201.9	59127802.7	140047783.2	28883245.1	33007179.1	10753645.1	87644134.6	59283502.3	66055767.1	30743506.3	34760779.4	34727068.7	129507973.5	143920366.7	52384264.3	25632786.1	27706770.1	22894089.5	13705883.7	40579573.6	35601140.8	30989928.2	26112007.1	48983940.5	17725747	197417285.2	30467541.9	32957030.3	110466758.6	44143551.9	38685405.6	27391549.7	30501462.4	28161634.1	84162704.4	20572375.6	19077485.3	33111098.2	24427210.5	15221664.6	27539459	46290818.7	31403492.4	23891274.3	27662158.1	23955633.4	74999882.6	92301474.5	47237999.5	213634942	90184296.9	132482590.6	22686210.1	10607077.1	165109753.8	28547480.1	23186551.2	10703405.5	24311177.1	234614572	81005344.5	59012403.1	106736981	35528442.3	29445816.7	8051013.8	33999777.9	46106075.7	34479026.3	40698063.6	26480749.4	15269362.8	109528501.4	117791448.2	0	0	115267795.8	116507328.7	8559993.3	32896028.2	71605471.6	215301319.2	31001727.5	41549356.6	47173697.6	6488615.2	10812082.8	6430131.3	4354109.3	48366031.5	25837973.8	7465514.4	101239768.7	185444104.5	32918256.9	18187524.8	30558477.3	60682154.2	101629862.7	66399911.1	98457310.4	22047898.6	41384398.4	5136475.2	65839255.6	167769255	17724011.4	19654885.9	35499883.5	250153148.1	46112128.2	48310951.5	21224968.3	48803826.4	119513392.2	17606132.1	23905543.3	58662773.3	44001066.9	49305555.5	125523508.2	108077970.7	19306091.7	75530658.2	65535735.3	123381107.2	41447876.5	25723090.2	3221369.1	6208288.1	74593425.8	54154166.6	18733212	108541725.6	21761243.9	127384424.1	68667418.8	3295850.2	15849681.9	26230680.5	7219096.6	53043120.4	94362678.4	123131823.9	7099309.9	68944106.9	0	69626684	12071494.6	40632051.2	83460076.7	50647809.8	70635084.5	29964988.1	44457240.3	12725995.7	18880312.4	42464750.9	155791100.3	128031471.4	0	38666554.5	72998571.5	16344668.9	139618030.5	57342913.3	11350659.5	10835420.8	62802846.6	112547730.4	55051941.2	67205924	145320973.7	52026355	56287472.6	71409604.2	18849414	48766120.1	67199652.9	33468603.3	33706048.2	43445751.6	32691656.5	58564750.8	48945656.8	46521466	80437628.7	81567321	40910023.3	37253745.1	51638986.1	90530707.2	9857346.6	36520864.1	38739859.1	36039382.4	47250384.3	107765277.2	49663582.4	167853749.7	22694491.4	34419898.2	41292186.3	456714288.7	36573717.3	95120048.7	34543378.9	64046654.9	50174480.8	50824960.9	37805784.8	48106069.3	109469380.4	107989150	36004144.6	49819064.7	63008160.8	30343719.2	27514392.4	46769483.6	82025920.9	11958726.3	37689675.7	11959108.5	154670875.9	30608109.8	29807307.2	39620112.7	35383252.8	42370938.1	29624222.5	38126486.2	32695591.2	36156705.8	103958898	44677533.5	27365447.8	35821830.5	37829580	26773891.3	29295141.2	24701767.4	62336655.6	28445777	68817191.1	34539823.6	13336529.2	34531101.3	33106585.4	51219311.1	68675553.9	65537802.3	40140886.2	51135192.7	14859015.8	27360313.2	71209955.8	81593278.2	3254711	5174360	116469611	127671887	14662634.2	25679196.7	23924570.9	148517122.1	22168867.2	87225140.1	126407458.4	18011519.5	96619751.9	49357310.3	20148430.1	32728951.3	15822144.9	51940911.8	54511477.1	33032105.4	43336579.5	50853565.7	36486976.5	183076275.6	101421136.9	81595783.8	12380034.7	36677067.8	26110807.6	41883881.6	52924423	12713470.8	48754054	15234989.2	15837131.4	12888067.1	172365915.4	32213590.1	73116267	296910553.7	151858823.1	15911959.1	15404354.1	20177381.2	19014447.2	39079088.1	106591801.7	149201237.6	38770280.1	33905540.9	19957687.1	8342238.6	30828932	4527067.7	71392598.6	23335666.7	46608952.3	79948150.7	11478956.6	63495036.1	30980071.7	4481713.2	52391955.5	35993975.4	34795638.9	37902826.3	53145724.7	40533492	150682111.5	137001241.6	47809378.6	45131210	79676703	28422631.1	18475863.6	11732822.1	110503137.4	41171853.1	39521067.2	40858629.9	25569170.8	52246948.3	11743070.6	36202282	46264690.6	111838742.4	10271344.9	13130499	41667336.6	21918930.9	155517347.6	132329975.8	0	0	136085399.9	105453151.6	18771774.3	26695001.8	61818919.5	39978685.7	84316129.5	18761224.4	122756667.8	26818126.1	4167055.8	109647441.5	32196700	58698236.4	9391867.7	71851563.8	29361995.4	72714095.9	8257997.2	128158667	41649332.1	48341826.1	45044655.3	112879004.2	59772254.8	67266.8	12552582.4	69043800.4	107318708.9	775131.5	119028792.3	58116183.8	30058103.2	47200220.9	0	9389137	9492732.1	0	62054508.6	13738864	39136357.3	60778099.4	23447585.5	105067263.1	148628750.8	135838250.1	18634133.1	9922123.3	25383601.4	0	174739906.5	65175823.4	58660155.4	16455459.7	56339331.8	34463267.4	27228392.1	63864878.3	34767297.5	267026969.8	60282491.4	59336375.8	50906360.8	108153616	127176812.5
Docosahexaenoic acid (FA 22:6)	0	0	7755752045	9827265120	2295789188	825240647.4	2537480134	2966187543	4336830258	3448712092	967657409.5	3491445736	4656732900	1013425105	2335417207	635999536.6	1705117451	1166876704	4476613193	5281686792	2620621877	828438043.1	1110955355	3664008806	12225099494	11270084216	4513326729	2518640451	4445438461	2325147804	2014640819	926943635.8	4816304827	8497230392	3304896667	9930186522	2161767879	2867582773	4710023258	1148054575	6697596939	516130055.6	1089676844	4976559590	17008836123	4765768895	13431310988	12564595112	2811689024	491997471.8	1344477149	5489521006	2805040996	2936890571	401673825.6	3000825096	376160687.3	9643378253	0	1476481621	675733799.3	954193708	915368360.8	829487780.6	2107723021	3172345486	7872712660	793636825.7	13393851206	13063696515	6650881191	1581125379	11618171850	1467809690	218302046.5	5358356650	101363541.8	3099060027	2543307551	5635469056	667572728.4	2921108008	798206661.5	773053688.7	14347074093	9777379.7	5908224283	330013710.9	1001906443	705714251.1	16520183085	14707345425	577404006.7	575654529.5	3706598995	2907793416	2840920802	1686584621	5429349327	5256305182	1744076089	1826448970	2439314948	909945286.1	8940081383	1226709140	1707363353	1648261577	1126098959	10902027999	7718334659	5304573405	15738324345	2588995070	1933740351	634067425	7346089354	3553106695	7241152313	2527349510	2427069922	2796281057	15694170262	18856442501	1088013273	1442534927	1484937334	679214518.4	682790848.4	4472654176	1634591197	2567119762	776912227.3	2186678106	1082367622	7512758654	1859627984	2216262519	9361815104	1958070338	2351788169	2074936606	4314503285	1142838432	2010175289	1916700562	1450314080	2926864617	1726124169	973493682.5	2954456011	1232173244	2573605548	1281808365	1510143400	1018893557	7027945005	15539096348	2116507455	12524780080	8876854349	11993457252	1451831718	730125611.3	5735207440	1195764485	1347387990	1197696255	996506058.3	11465574372	7846781715	4790143725	14613891310	2435603015	1620667701	635116149	1316222975	1328814634	5156092298	1008716397	954026591.7	857323690.6	11788603599	12151095389	0	0	13705518551	12226468242	2254765998	6181548400	10740265321	15181629565	1697945057	947479973	5687117537	558427743.9	646542234.1	491329346.5	1116399464	3602744872	1433374968	385738980.3	812164838.5	4348460758	1056309733	1153267451	3994197083	3890475350	8787299078	11180935847	7038004083	1095800620	3125640121	2753996409	2920358930	2825090010	1516991617	1927986162	5169451197	4426280131	2865050986	893488436.8	4026548094	4710239123	11985616076	2211323854	696609679.1	1241130878	1163418135	1916771161	13051312852	10443199827	0	2299539554	2459811177	4317552137	1858927745	4447774698	0	253162567.4	1313661614	2629542687	1677957982	9254027154	652836867.8	17871004090	6188413958	4213079965	812000992.2	4601883495	1331871469	1939154289	13403591511	12976029009	499191587.5	6741870443	0	3185895311	4121649945	4078997026	2864473782	1836217388	1942693426	3355746928	780786785.6	550623618	3089097.8	6109413632	9261369119	9784406884	108350486.3	1917729542	1397431131	263666625.9	13704620382	8289682863	0	0	3821240995	14335768439	5913033538	1338998933	5976788968	2186251593	9134833470	2696977979	258982079.7	4659596713	1826436803	2217848469	820895032.8	4307765304	4970477076	11520088987	3879070659	4231033180	10057379946	7950681649	3395656441	300588424.7	4877341761	10360062395	0	455710525.2	720123835.1	2234074957	3272449086	10615708665	4518202890	8916916337	3100965425	899014146.7	0	20508401271	2038586970	7330908925	2104829595	3695201189	1483883127	1942782778	4363851935	2740622842	11207343786	13533356429	0	6539174452	5344015721	3625972779	994533228.3	2623535209	5859168091	0	1366584244	0	5188595433	2440510395	3959215272	10639216443	3542207016	2666468558	1801285031	13799119952	469923419.3	3038494709	10313312254	1977602084	0	769418951.3	0	0	1840794003	3962594389	3168435186	3635458777	8416646538	2589664423	3184594218	0	198778404.6	0	11768504836	2540699895	1672793664	6132099930	225108403.9	3173876554	5918169317	7742647295	534016265.1	535061217	12003333639	12695573728	3123519865	2032918405	1362676895	4887558218	1811166551	8880156846	7724652861	1237505214	5990441607	1421429102	2785771836	1833090972	971533396.6	2617221004	4331500063	2313942992	1117025951	1508592524	5497751974	25936517895	11851882732	10818571264	966399615.1	3731919481	1165570409	2183022373	2144752239	1198182644	4123248657	1675013452	698057365.8	890090834.5	4622911609	2306116489	18897967730	6530142551	6390075392	2514769709	979810957.3	4265191492	1345009990	2633267480	9620907394	11358655537	1209405599	2007335202	1318607364	808309403.8	1697865913	1088497865	4696832907	3686578181	1341088092	5504360033	896767424.4	2621097178	997994691.4	2997133240	3086124269	2077943764	2122435624	1317017008	3897840936	1917823019	10872544891	10868075278	2257375392	3447573753	8625294906	2729394340	2862046912	1649420982	9728009424	2961547331	2604557858	1256531087	1602263329	2125508168	1544015181	1006665231	4255472320	6463742888	2102069609	918459620.3	1353900434	2401758889	11921481876	9570964137	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FA 22:5 n-3 or n-5	0	0	11518192724	13747502533	3552500290	1633637486	4085157594	5022001560	7297858623	4301725832	2369972947	3821985721	7405227169	2050413671	3113415515	1309202881	2021814361	2390481315	3879424239	9912688881	6010322646	2100631530	1706066187	7078262508	15705990506	14195065150	6803395043	7411316290	5372630515	6695706059	1934488134	1521036929	11433881837	11531109601	3344542674	12481069723	4537322525	3811049752	5016420411	2194883730	11927509775	913549474.4	1572879378	6265413100	18684828454	6171938331	17099674004	15953535826	4347231013	892666266.2	1624313723	6532887546	4967046384	6798998023	629662155.9	6332367442	1237354589	13526482120	550506310.9	1745459811	1583967146	583922128.8	897774277.6	2116469318	2117114637	6043749753	8461463452	627045614.1	17137058429	16403140537	5331447649	3952431270	11631303674	1967659061	866333584	7757234908	1274347872	3086910346	3028532795	6191012543	1038583992	6624998056	1258160077	2248600062	16922602352	672268200.5	10940583235	1195123073	1331443486	899543774.6	20014018495	18290676609	881012390.4	880152508.9	6336692355	5049746144	6619027714	3106630432	12178681333	8451003840	1470205874	3263037933	5104832526	1530549151	11996114896	2022908954	2486352381	2013005365	2167386374	13072973666	8370263217	6111660639	18525298486	5196525596	6197378478	1002281401	11906038161	5977349980	6380634855	3976070202	3314863889	3538695198	12724821423	19774503642	2465446164	2023811752	2410218656	1091963593	1098341945	4798605454	2851910278	4176394732	1375934555	3034563594	1719448673	12045887243	2924374028	3071086836	13651637109	3316196017	4058219712	2593501825	3513299921	2017007125	4170263610	2161500155	2330023402	4497463068	1450550124	1546143628	4834841624	2572503277	3411762767	1809642589	1936722288	1713552676	6762784432	21749962192	4256771330	17490584175	13498960260	17304645195	1990680223	1211386219	7789138213	1950440658	1979792664	1442521326	1943919267	14994042833	8523276977	6295985001	18068372722	4910808053	5335913131	998450840.3	3314447867	3377307295	7486486965	2187503048	1842779326	1391136011	16139852040	17025740799	0	0	20615627921	15645694720	1434459914	7902211461	12066574207	19973125062	3322151725	1694285855	9191457494	1865666707	1137044023	1498806477	1220697581	9339003423	1466606191	920081804.1	2865008697	9844604773	1682494433	1529581492	4543810617	6754910528	12102019877	16176470916	3985133288	2773041746	1938486537	2197410117	3320552921	7970557096	2082249651	2326708027	5592048712	10566518188	5258004934	3261984319	2734403711	3714959146	4710341772	4233030113	187555686.6	4732765179	2074324166	5039731606	11633362545	15708262507	45709313.4	6167253857	5291806021	13647707897	6686283015	2219983481	0	718455599.5	3504637466	4773988157	3700999414	12352175134	1611398059	10307917748	10790074183	5250430321	1299408942	8987351070	2056752010	4766365925	18821566587	11360173330	2023582944	7535874232	0	6680345709	6190051849	3256696381	5080343934	6812366307	6199507704	2416276840	3574296110	200229438.3	361732811.2	8315089533	12840657084	9199535175	0	4093295049	2357888392	509650529.4	20295664744	13190266419	0	0	5762843717	17282871002	10265857604	3200804745	10586474504	5945607915	11445473988	4441671890	946154023	6168714991	3595673735	2869022046	1540319252	4530471620	4276396597	9697737608	4748324360	5238860842	9101249753	9828612007	2734935413	3103717518	7724053602	12791993354	362779078.2	1100753521	3858679127	2247123566	5148096424	14592168458	10219810319	16379975852	1877637099	2132384498	1207376935	29969673067	2704429911	9471896473	2518592505	6974690081	4803093582	3589064223	3248138607	6534608943	14833375204	17040132521	1204757656	9787273370	5625209407	3901001561	2392532308	5786511046	8466621047	0	2140634365	54649506.3	11627817964	6356420109	1616380044	12156631046	2658743351	7973922070	1519677587	16528442331	1051708204	2172298542	14193297952	2757772642	652845251.2	3556160389	821033869.4	1206727610	3081375631	4661308454	8062972240	2267754046	9730713713	2788980690	2285269775	583110537.7	1531299815	2006847515	11688713339	4840472367	1587008628	8604006286	1138009053	2149224568	7338325412	9671651962	680555700.8	671986383	18694060054	17992508639	3408926107	4614390362	2146147061	7125403164	2569085099	11788757847	14239094631	1938702297	9645024283	3475899536	3692215281	1870954622	1751301685	4221244511	6586810337	2605452393	2175385776	2591761046	4066856050	20929374049	15009105832	16020391918	1195336349	4248720976	2107683151	5506447066	4810459184	1583193581	7889633736	2394383234	1056765793	1049474791	12660975278	3171640287	12376454432	6206753188	13530048809	3084622507	1278295515	4181489767	2100951473	3487008955	15520114288	17101696953	2052142716	3397733009	2628578527	1287192618	1949246839	1552162622	4935904824	3740047942	2267487129	9080296372	1482248880	5255626993	1456842673	3064341330	5325659930	2884502864	2388908574	3291601351	4586771235	3192105808	16802825068	11228264316	5097958085	6194810951	13311896916	2452670126	2848827355	2177534447	14252871122	3193477882	2874496192	1480678718	3473592374	5122460454	1390831071	1531396926	67894832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FA 22:4 (Docosatetraenoic acid)	0	0	27447883022	33164833122	4568330080	2540104856	4884908145	10844794934	12385201812	4072204351	4959214267	6824939582	13888175815	2112571027	3701001765	1152010274	2089666716	4579933310	1979889201	18020963442	10810514879	2190946023	1341117332	13322753729	36851079479	33786162444	12634577981	11953039622	10296852390	11412084923	1601613464	1463602140	18280817271	20317611098	4784803601	15965204200	7782106936	5520846707	9548421190	2259194014	21219468096	788692668.4	1643399555	12850238189	36991364804	6408934592	39729083190	38426686661	6591663465	1217831716	1740720508	8223706062	9465103805	12679937498	589710402	11104298717	1588776602	32402882653	529002794.1	1351219873	1423139846	251377538.9	635350084.3	2830967809	1370688963	6265220582	16277490995	583661974	40947465116	40438555683	6502689491	8432371177	15149756793	1503418863	994321665.3	11651746271	2225939565	2128139533	2947020276	4772459474	889618734.5	13917992664	991197910.8	3574583292	40120400766	853772272	20571329625	768181976.2	2161456907	1439372004	47948972104	42494554550	1552354428	1552193966	12636228168	10084251442	11385385862	5394279614	18714761684	14483733554	2011926138	4815410451	6304089405	2358563218	16588290606	3364708282	2633165473	2450296799	3285651485	23491379347	14481205666	10541029500	47758593352	6345836688	8302306023	1734721612	26982692828	13180586273	10550509527	5846932972	4000238822	5836804557	21273520087	34250968357	5298095172	2397453874	3312025300	1807599900	1778133172	5042138131	3336094406	5679901815	2209844008	3785411328	2313716870	26279205779	4470747952	3208917296	33657345905	6356730945	6227053925	2998038825	2541245876	2925406067	6203326130	2607932814	2699107705	6492163575	2053015163	2000620676	4522013808	3824206145	5388523640	2320162116	2407325692	2322167991	9934043457	45965446216	8728535977	44521403823	32137931086	43095060435	2868179760	1958042003	12480108439	3196164312	2411421013	2119509275	3071249145	29039177087	14417660891	11102465379	46993267038	6704607672	8890899219	1728657895	5528232470	6134359604	7480252781	3616121964	2587686555	1917641200	42504927121	38826495329	0	0	43857119054	33375634734	1167357113	9213700498	25022416922	37863156209	1100335938	243780474.9	7917242862	764888197.2	1328691125	797757710.5	592649619.5	16120449070	1359070997	0	2265211766	25145578926	715413794.5	1867603319	3495753174	10084459411	32576180142	16605220272	7158334969	2247442634	2949463383	460250946.3	6477303683	22257759559	808051274.3	885641103.3	3954241489	25800138081	10364756096	6151945254	0	404234865.3	5175497599	6547857301	245411683.9	13906429061	2061819335	11931307039	41402226503	36446552007	0	10261199117	10218765975	23979194469	11214329998	4996626364	0	538392251	5038222156	8885931168	5502561998	33889604517	242313770.1	14485086625	18406503182	4567468069	851786705.9	15073947245	2327697401	6892951127	44756905093	35639116353	648732210.8	12482880599	0	17928144000	8410150604	2227853090	11012356869	12253485758	13753330536	3464950566	5858774362	0	64600910.6	11343958149	24850773986	14907808726	0	7153800884	3307900492	169552359.1	44495719186	29841239954	0	0	13391349548	44382691898	16100374781	3035804967	16932670874	11161799410	15773380567	8465868200	148015808.1	9797565329	10262006702	3375301362	292904109.2	4146420419	2529971190	5095767234	8723575254	10571636767	14108074360	14175510389	2310280990	7410535456	18411458335	35144304269	0	860608849.6	7301314701	1591273115	6813429574	33555200931	20855334994	32380025505	329465947.1	1665219141	3216612092	61403074213	2204647434	21181051367	1664793029	16153689127	8933115942	5999730681	2682157466	11948689537	40483307292	43448873835	2081734282	22177373070	11511512384	3761440305	1971696663	13832928335	12830441335	0	964221023.9	0	25824712691	19460917690	1212272118	7964621396	7570060563	14343344976	623352693.4	32469540818	537727879.3	1505172680	32815647179	6678124784	0	4253610328	568534838.6	654659455.4	5566087488	5005662509	15292546741	1199268890	14495321675	2485610868	1325662905	376142480.1	1672934191	3824977241	28970765508	11210155071	920118334.8	16099920132	917469737.4	518693079	19871642247	19722268264	1172929507	1177470974	42086071954	44968017276	4039504357	7006985726	2757899255	10341691224	3213945040	15794535807	15811472518	2695389169	21049443222	5779481810	4544632972	2434831299	2428433183	6332273741	11555798876	3412263451	3332355874	3117827395	3028789671	33114240872	39299555322	36601296646	1742477027	4328494651	2286439431	9210357180	7901384024	2179298615	19291474990	2371980967	1794007987	1462543723	29953093085	3863738083	19857706257	7618955568	28024012134	2998296468	1664423394	2071535441	2634407131	4193606484	34541172571	40162274150	2958578181	5245813273	2163560362	1842288701	2481189692	2284887129	15231162455	3420288266	4421753446	16626967029	2337582921	7309354093	2118814344	2301642869	11552013126	3173086742	2560449896	6747070104	9575048015	4627232218	38687050051	36261942072	8493651236	6329201585	22125056545	2999638317	3171461916	2854903526	29106036532	4147941505	4413082710	2123438813	4652882275	9967744304	1797912615	2111093214	7184391792	31031821328	3274236412	2636674380	2539629406	1899048232	41785524464	36141529939	0	0	40378286303	24412997278	2231763931	1623112618	7245918565	2589738814	12920484658	946356707.1	21682349049	2770969667	600641674.5	39924165276	3132417755	10432717527	1878441927	14884957669	10389721460	9640760960	1479482367	19931722174	8045533421	4742606837	6818492352	44989864016	13298752757	701418873.5	872475884.6	4749218098	23899139685	334381611.4	15596772961	20654314293	7139179376	7340988303	0	3654507612	330324888.1	160828953.5	8278713938	1468951750	3666545167	460606715.7	2080823500	18755853627	39442045485	35463258558	6854128846	105160846.4	7148474453	0	33398941270	12811308843	23174229838	119071123.4	8107243160	4038045094	10116418003	7026462397	973251750.7	11573705315	4114311707	4032653870	4838564926	37444409264	33989690088
MG(18:10:00:0)	0	0	120950274.1	147734114.2	7080065.2	42189585.5	33877103	86302341.4	87241078.8	44839010.6	50813232.7	67993164.9	69807121.2	29286536.1	34695170.8	20632216.1	40166816.9	54222349.2	80414655.6	83321802.3	96126293.4	16921056.3	33669116.6	98728867.7	141398653.2	145116706.8	83234926.8	87722511.4	81353694.5	71362150.1	21556196.8	0	167851939.2	135808742.8	92464950.5	132828816.3	37993914.9	51015599	79137452.8	38891979.5	112645989.2	38051371.8	20340368.8	144016410.5	167264371.8	46981688.6	151044123.4	167817080.3	58658671	22807882.9	38084930.2	39202780.2	109991031.2	74168421.5	8251129	66293972.7	11753975	226354540.2	2137262.4	13269422.8	2427508.7	14635355.1	9237531.1	12677582.2	8443165.9	55432424.7	101177744.9	3140023.2	158643914.8	158506207.1	66919449.1	60914915.9	133013103.4	13605541.1	9232007.9	70453959.6	29473014.2	44590527.8	36432654.4	66705797.3	18049457.6	88941369.2	4865747.4	56892324.4	219264725.8	14037900.8	126431655.3	7051296.9	53183142.5	12133368.6	185517654.8	184345499.2	0	0	79161533.8	67365463	95584907.4	48411568	136493756.6	92424320.3	22260821.5	41366388.5	37936328.4	38687479.9	114937308.9	37285669.2	36459029.1	35840729.7	25260268.1	200201361.5	58235548.4	72504234	213550210.8	54120728	59782982.8	20543693.4	122617679.6	73875854.2	106657007.4	50046215.2	38410332.3	41648209.5	143401433.6	237920380.9	76440629.1	24892274	33990236.8	25687904.3	28556669.2	35114490.8	36069958.4	35347802.5	19364759.1	48706961.6	31411154.4	73366598.4	58514981.5	27164798.4	137200083.2	52135913.9	58563860.6	29731305.8	43555134.5	28899355.1	63436860.3	28156947.6	27593473.4	63246777	27485067.1	24439474.2	53253689.2	40078717.3	47394635.7	16608989.5	29687526.4	23587396.5	79827262.5	230539391.9	69841133.5	128797757.8	129784121.2	176048854	27326343.3	28923869.9	94707501.3	32990850.9	29255121	29934923.4	25150041.1	242391134.9	46428947.4	78416568.8	209315348.1	52407565.1	62825114.4	19638185.8	45194169.4	75878611.4	58931470.4	50243924.2	15910954.6	18427643.8	155134968.4	172908404.5	0	0	96102139.6	146769039.6	23176289.3	82928364.1	147754562.9	303490053.8	44435143.4	47431107.9	67656061.6	31762963.4	23139855.4	6877961.6	31057834.9	88297640.5	17258412.3	26656075.6	50541432.4	137050684.6	14828880.3	24885187.8	33192338.8	64434210.9	115845381.9	148452659.7	108214450.7	0	25220388.6	41077200.3	88384905.9	202989088.2	29790769.2	31406299.3	48691722.9	144253407.9	53550960.2	76305380.2	23931251.1	118572732.7	118084217.3	31056008.3	21124430.2	71555587.2	72729735.7	89931116.4	161820106	146175804.2	1250121.8	73108528.7	70166924.6	139026465.9	60885384.2	56051549.5	9513924.3	0	57843953.1	97239054.2	56704233.1	133561192.2	23368065.1	71456394.9	67717197.4	55931611.6	1804043.7	67521555.4	14101695.8	35849255.6	182711541.4	177167347.9	12773904.6	128739081.7	0	101022701.9	76510134.7	31698228	104292151.3	68921748.5	110019034.2	31768961.7	60533676.8	20969720.8	18998637.6	52416416.9	105246406	52327049.2	0	36616260.6	50650174.8	10023775.5	170333917.8	77135092.3	7447452.2	0	69656010.1	155566178.1	68474466.6	41796602.5	108242777.4	69571678	120416385.1	85151779.6	18913558.3	72040114	103409603.4	53792034	24015296.1	57585980	38865284.2	168250281.1	44999721.6	35147064.3	74252075.6	109830951.3	37838926.5	17637728.6	77343806.7	140276858.7	16742729.7	28532358.3	56160527.3	22253071.3	45307662.3	223891009.2	81337401.1	238496008.1	15623900.7	24666769.3	40454497.8	270083649.3	36747959.1	163740356.4	39434904.6	104037722.4	30273869.3	48530901.6	35523418.4	55297813.1	134833436.2	156059215.1	36061397.2	33038614.3	85894488.5	24487816	18836688.3	109323620.8	169073791.5	4763192.3	23007720	16154234.9	151857480.5	137979066.6	31906031.7	71090006	64342809.7	78216898.4	14392222.5	164206107.8	14802533.9	26771238.3	119296473	52129118.2	11499780.2	38418390.7	27881188.2	22258247.7	20767187.8	35426889.8	119797396.6	45763957.4	64553402.5	49985121.8	24059342.4	32469822.4	17321830.1	34537118.8	148486869.9	77387789.1	18432377.7	71515714.7	12025752.1	28197930.7	98229172.5	124074217.4	0	0	156080440.6	167361569.1	34841469	43568467.1	17925923.8	132948857	35524372.3	117603671	134777569.8	38193322.2	151845635.6	54263967.7	25059120.5	33218408.4	18422150.3	54084300.5	42755029.4	24322294.1	16064835.4	38265370.1	25307776.6	248943637.4	147760886.7	141388164.7	28447845.9	39780814.2	37320517.2	44951709.2	66361271	37279242.9	60432394.1	41273891.1	17838247.4	18321356.5	239464395.2	38268890.4	128210417.5	82424453.8	58048247.1	29891195.6	18625675.4	49177617.2	29949750.4	47491223.2	142939966.9	151422991.6	19198505	36375089.9	31978754.4	41174579.8	42557129.8	49415636	117778887.9	34135930.5	59054615.3	115052979.7	43914228.2	50599396.5	46011965.9	37200780.7	99110793.4	39186236.5	26977924.9	56875912.7	74189909.4	47800542.3	144875468.4	158407053	65896873	50433316.3	126693386	24249494.8	35864848.8	18115185.4	175956590.3	38413053.8	30325843.8	25044440.3	46578704	66387587	35714861.2	24771528.6	64815621.3	265001326	37464996.1	25901905.8	42004019.7	42956809.4	150381912.8	133153915.7	0	0	141839911.7	104544603.8	2639635.9	23825403.7	51137296.7	45087679.5	151334800.2	10078123.7	198381381.5	21742059.6	12698186.3	169411275.1	27796134.9	102574683.7	24834579.4	124977993.8	49813537.4	70150616.8	29693157.8	111894317.4	43952280.2	74914089.8	43159015.8	175025948.1	91679933.6	26465807	12808236.8	36668823.3	150680033.9	6629842.1	162369105.4	91149623.6	30991135.6	27972934.3	20586453.8	12717415.7	22204649.1	12624733.5	88449614	18521041	29400559.9	1742381	43756256.9	136116036.5	152214492.8	114627658.7	31577770.3	12011035.8	89266212.7	15467427	191812039.6	62547204.7	101329714.1	0	82409375.2	17031465	70992214.9	126470298.4	38218633.9	126402232	29518304.1	74572508.6	69516860	164954124.3	139813551.9
Chenodeoxycholate (CDCA); Deoxycholate (CDA)	1450910.9	0	2968099.7	8329288.8	3186047.6	4062473.7	3902724.5	6229599.5	4831089.8	5182000.8	6036042.1	6994061	6366266.4	6120132.4	9246086.8	6712218.5	7478918	7760006.5	8264740.5	7015497.4	10832541.2	8840283.2	8779368.6	7859560.7	9979777.4	9323801.1	11269057.4	11500766	12789125.8	9848687.2	10221451.9	10571079.6	11285209.3	11965811.8	11674932.1	10841567.3	10890493.2	11719671.8	9519558.6	11467547.2	11993252.4	10983025.3	10809736.5	10604144.9	14363116.8	11769142.6	10947132.6	12049173	11706944.5	10919146.2	11284313.1	12517206.4	11751111	12126294.4	9716787.3	11423916.2	8661643.9	11500312.7	10236023	10488884.4	10785051.3	10518210	10509186.4	11352560	11418111.6	14029784.9	12360729.2	10663166.2	12006980.5	7876561.6	11029318.4	12852055.6	11358924.1	10283602.9	10607028.8	10954691.9	9931609.8	11221032.8	11290576.9	11237416	9928788.4	10620623.2	8322582	11202211.3	11670090.5	9443677	10091325.6	9452129.1	10157132.4	9307073.5	10046245.7	9349903.4	9974660.8	10131190.7	10404982.2	11079220.4	11499862.6	10061699.6	10693413.2	11114569.9	9841502.2	10584196.4	11833420.8	13206315	10220800	13365396.8	10773385.7	10971962.2	9961340.2	10092280.8	11450197.1	11359309.1	10041487.9	9168653.6	10267735.1	11962895.1	10062566.6	10824651.3	9715168.9	9644921.3	9356797.6	9600458.2	12454292.9	9005912.4	9324397.6	8672434.2	32586536.8	11283165.7	9891742.5	10186427.8	9424474.7	9715433.3	8600286.7	9214717.9	8776950	9907708.1	9301436.4	9088657.2	9641680.2	10278080.6	9809128.9	8870058.8	8723818.9	9339788.3	9471196.1	8628572.1	8991356.1	9640355.8	9041959.2	8500790.4	9543169.5	10877932.6	8868263.9	8795690	8822803.9	8971743.1	9547266.1	12671586.5	9314159.8	9423685.5	3104574.2	9309644.9	9535907.4	11328909.1	8646436.4	11477068.9	8590851.7	9148266.2	8430118	8820026.2	8925799	8740434.4	8812773.9	8090527.4	8602037.5	9434972.5	8886811.9	7750843.9	8785041.6	8528800.1	7972131.8	7393414.5	7242827.8	8407506.6	9336295.5	8805684.4	11482688.8	11675061.5	9601522.9	6920013.2	11457108.8	11356211.4	10463737.2	8371075.7	11270664.1	9755048.5	9550396.4	8140804.9	9371263.9	13704402.9	10931780.7	10022876.3	9765735.4	10126064.9	9477627.4	8525367.3	9828985	13900180.6	9072589.9	7755399.3	6722678.4	9235018.5	7067674.6	8399037.7	10622261.9	13793017.5	9765468.3	11960665	10988897.3	12246982.4	8669346.5	10292630.8	9806164.9	10059410.3	9194481.5	10064827.7	8973041.4	10655390.9	8884562.9	13285515.5	9926623.6	9437658.1	6431205.7	10290260.6	10456367.9	12682721.6	10740452.8	10425651	9132972.1	9638332.4	10797833.2	8591292.8	9389187.4	10316998	9298578.9	12769876.5	10668066.7	12634638.9	7362169.2	9315660.8	9053252	9234437.3	22946142.7	9898767.4	8601208.7	9025419.4	5919168.1	8634415	7699561	4852488.3	7837430.8	6893558	10907982.9	7985302.2	6677471.5	5379701.1	7546003.5	7653831.7	6841521.1	6556018.4	5923381.1	5980336.5	5936938.8	6962070.4	6256019	0	9416175	8793811.5	10054971.7	9270870.3	8177754.6	9754098.5	21165885.8	10706371.4	7755390.9	10332971.2	7170879.2	11343699.2	9056381.6	11461771.3	10043949.3	9498775.5	9290855.9	9277890.8	9751992.9	7993005.7	11625402	9129674	10905693.4	10016315.1	10503583	9858553.4	9340890.2	7212422.3	8764310.2	10679578.2	9354560.5	9839551.1	5083089.4	11422134.8	9126754.9	8466677	24802162.2	10332440.9	9523562.6	12362949.4	5971206.4	8423675.2	10085725.7	9292378.1	8752767.8	8525104.6	8503327.5	9669363.2	8937923.4	10054074.2	9237358.6	8152469.8	7906013.7	8474643.1	8864988	8145131.8	8119697.6	8158170.6	10999321.5	8540576.9	13107199.8	7561980.9	9704129.5	9946264.4	7840076.5	9642727.8	8519017.7	8292403	8101266.8	8285734.3	7189793.9	9377068.7	8203701.9	8077612.3	9237439.2	7549958	10384826.2	8603565.9	6823199.7	6383800.4	5736174.3	7891806.2	7243888.5	8713857.2	7605562.7	8101630.6	7332423.2	6926568.3	6585888.7	6334150.5	6977041.8	5982922.1	8730103.2	8357242.1	9249925.5	9540694.9	8452331.2	9717643.2	8424925.6	8216180.1	9327568.9	7547594.2	9521681.2	8795910.6	9844535.3	9807949.1	9243256.6	8872876.9	8968925	10227717.5	11381585.9	9230155.3	9021118.4	7374506.1	8449306.9	8911980.4	10164864.4	9510896.8	9567750.5	10127262.6	11216867	9318910.3	8552114.7	9344923.9	10903802.5	9043502.5	7670599.6	7320653.9	9801512.9	9117637.4	8672771	10032788.2	11580462.5	9153453.8	9565800.5	9133237.2	8949707	17813508.8	9024643.9	9362829.2	9069591.7	8683943.1	10175380.3	9152075	8485620.7	9017324.4	8126222.1	8557393.4	8772821.1	10105410	8903531.8	8661803.1	8733572	7181929.6	962031.9	8940702.3	8384329.9	8342519.8	8401386	10026387.9	8789735.4	8612321.8	10004720.6	8079791.6	28912556	8580588.8	7998666.2	7802358.1	10324327.3	7940921.6	7130662.9	7817352.6	9049522.6	11765959.7	8451979.4	7729475.2	8665150.7	8490504.2	7902381.7	7416346.4	8242354.3	7478125.2	8781997.9	8941718	8055620.8	7432007.7	8903771.3	9033466.3	7980635.2	7713648.6	14332535.7	8676898.3	9560652.3	8678726.8	8755770	8600547.5	11675593.4	9238222.5	16053659.7	7759176.8	7829401.1	9599081.3	8052961	8182629.2	7838241	6556418.3	10307692.5	9026974.2	9235331.1	9069376.9	9557385.5	10176895.6	7251362.5	6192877.8	9460036.8	7589341.4	8443757.4	6771306.5	8303401.4	8623924.7	10475801.8	6749762.6	7773019.3	10261462.2	8317875.3	7712539.3	6827876	7105204.3	7966580.5	8193304.8	8483551.6	7818042.8	10556299.6	7488440.7	7920720.8	10727041.9	11702142.4	10438825.9	10407986.2	13953755.8	10890628.9	10365278.7	11321868	20376243.9	9884157.2	10150524.6	10010387.9	10602863.9	10027351	8771709.1	9716299
PFNA	0	4226717.9	1042514.4	4537055.2	1126689.7	2155884	0	1417970.2	0	0	653354.2	0	0	4517983.3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	573903.3	0	0	0	325536.6	2224508.7	2248607.8	0	0	0	611401.5	0	3544350.2	2226733.4	1506716.2	1958684.4	2524645.3	1775148.7	4118897.5	8658142.9	723880.9	1166142.8	129732	0	716548.2	994565.8	424816.2	61843.8	1993604.6	72690.1	127582.9	2835224.8	0	691488.1	0	2721764.2	0	0	984884.8	0	4741368	0	0	815651.2	507193.1	0	0	2317790	247147.7	0	0	0	0	49365.4	244607.6	0	2044176.4	0	1860098.4	1936139.1	1870334.4	8452488.2	0	0	105847.5	107841	5349202.2	0	1845843.6	0	655464.1	62558.7	0	1221881	0	0	0	252478.8	5240408.1	230412.5	0	0	0	0	1779073.5	1030837.8	0	0	0	0	3198768.7	0	888913.4	0	4865908.2	2412258.8	1315252.6	1775189.2	0	1343982.1	0	0	61930.8	7838	0	0	0	0	0	0	0	0	1767347.9	873883.6	0	2330596.9	0	983657.6	0	0	124402.6	94772.8	0	199330.5	0	558135.6	0	0	0	0	0	0	0	0	0	0	0	0	1622577.5	3689131	2188479.7	0	3835049.4	0	7970931.7	0	0	0	0	4731306.7	61463.8	1453637.6	8210067.9	1967702.3	0	208733.2	5467132	429379.1	2434562.9	726924.5	1028630.9	14334173	0	0	278501.5	0	253218.5	2815410.8	571399.3	178649.4	311960.4	222923.2	591740.7	237969.8	2296934.9	210557.9	253098.9	207980.9	0	751527.5	344237.3	3052828.9	517691.8	195587.2	886130.6	185226.8	0	393500.1	281093	911865.2	0	687837.5	1083950.9	568406.5	1004780.2	1008979.8	253068.2	665375.2	0	988824.5	231473.4	324616.1	3331702.3	0	190210	0	0	0	293384.7	780642.3	619541.5	176488.3	0	223908.9	234763.2	1324964.4	396981.1	0	643109.9	299476.9	0	341952.9	318194.8	295449.4	251150.1	240927.6	753461.7	595758.6	0	159573.9	230941.6	341269.3	1760360.4	12245924.5	174889	202261.6	745788.4	235441	3198190	2530602.1	208361.1	384332.7	761193.3	217076.9	210760	254590.9	275702	289276.7	897054	347581	278080.8	0	403780.7	0	0	0	261026	887254.8	443474.8	0	381458.6	0	308523.8	393237.6	622048.7	328684.1	0	0	0	417270.6	0	0	398553.6	477032.9	298275.9	0	0	0	0	0	0	450272.1	298192.4	1233144.3	0	336633.7	0	2416785.2	0	341465.1	849509.7	372741.9	0	309470.8	501493.4	0	16111819.5	3075285.4	346389.5	309891.9	0	0	292710.3	0	295087.8	0	0	318903.9	367543.4	0	0	396851.1	0	434933.7	413756.6	406853.4	0	381183.5	310653.8	327974.1	428845.3	488441.5	2843634.3	0	304920.9	3270469.7	760249.2	334467.7	331040.5	351978.5	0	0	364990.1	338306.6	0	1783801.4	1130323	3063238.8	2046456.4	7063312.4	4052883.1	0	1612424.3	1101150.6	3696372.8	1400201.1	0	5602.1	0	0	0	0	2289913	0	41732.4	276953.1	0	0	0	754328.4	447927.1	331775.5	0	14904311.1	0	0	40317.7	1327659.9	1441262.6	4649208.6	323809.4	0	1123617.2	73481.4	0	0	3052312.9	0	0	155366.1	0	1850617.3	955277.2	435153.6	570362.9	0	30365.2	63221.6	1534901.3	966642.3	638580.3	322808.1	345115	0	0	1261265	0	10284.5	44405.8	4443225.8	0	824111.1	27492.8	0	34443.5	189397.5	721985.3	0	5308108	38515.5	4103964.7	0	0	344890.7	694686.6	0	3104369	792145.5	12270.9	2189356	0	59472.4	192935	589500	0	48646.6	87836.3	28480	0	0	0	86993.1	0	2209925.5	0	2341881	615959.8	5677137.3	0	0	2433688.5	0	196976.6	0	1274593.5	4771852.5	0	830925.5	0	1015561.4	1416762.7	0	0	1503728.5	0	0	2999978.7	0	0	2023838.8	944200.6	0	881557.2	0	0	3014885.2	0	0	0	2393309.1	0	0	0	7078748.6	7301799.2	0	0	0	0	133250.2	0	0	0	0	1358396	0	0	0	0	0	0	0	0	0	0	0	3116495.8	0
PFOS	238359.5	242465.2	1667533.2	1743388.9	579981.5	1121955.9	1372517.7	1192705	1198032.1	594846.5	1125554.1	1251869.8	1029295	911176.6	583945.9	628784.8	682083.4	852449.3	853914.6	476690.7	1341286.1	1107669.6	703728.1	855872.4	2199910.3	1809911	2086233.5	558966.8	710738.8	1657804	1144459.4	514288.9	769229.3	1563841.1	566161.8	736969.9	1486480.3	657778.6	1217433.3	765914.7	941907.6	920469.4	1233769.5	1112290.9	1418967.7	1551397	2685866.6	1784099.9	954852.2	748507.4	825515.9	642806.2	1325725.8	886696.7	457039.9	951502.6	511346.5	563278.9	940406	1106047.9	921305.9	663580.6	731890.1	712962.6	756228.7	589821.5	1290631.2	1014696	1321419.4	1902167	619387	1315710.8	989345.8	758593.6	845159.7	624058.4	495180.6	693462.3	1064583.2	705804.8	766758.2	1314216.2	1085726.2	1474999.9	1780710.6	395524.1	833705	1503830.4	1075221.2	649706.1	2252812.3	2275136	499026.6	505747.7	1675567.8	1323228	1100733.8	1420621.1	985944.7	993023.8	1180064	1173287.2	1310511.2	127847.6	1118320.5	473631.5	766624	670635.4	742152.7	2409666.9	1082211	941161.7	809064.6	843273.7	843753.6	0	1926172.6	1048464.6	949373.3	1061839.8	1000090.6	806092.2	1754638.3	989589.6	632210.9	728651.9	843768.7	0	813026.8	1021361.9	830408.6	920703.7	811622.3	612452.7	755699.8	1112121.7	1104116.1	1480237.6	1558665.9	207350.7	989890.9	782247.1	922142.2	1085203.2	791221.8	1039005.4	1131881.8	1338754.8	1151628.6	702246.2	762743.9	149788.6	1044017.9	866087.4	790125.3	1295685.2	685947.8	1052509	773409.3	1043744.9	1986880.9	1696489.6	201445.7	0	886476.5	448517	831984	777983.6	1164669.5	3103634.7	939757.3	971946.1	1395847.6	1185058.6	789664.3	0	756845.5	710464.4	1388922.4	1133888.9	837000.3	620520.7	2291663.7	2383352.8	451363.1	595061.4	1886796	1936552.7	1014554.5	1011995.3	545021.4	674114.3	548499.2	593323.5	790788.2	780745.4	721953.1	717423.3	785640	903908.7	897211.5	742889.8	571600.4	595208.6	602486.4	437994.6	1096666.7	755828.8	2079960.6	2577372.2	1345035.4	679614.4	976147.1	1148871.2	1253920.4	1131881.6	1063065.4	737586.5	1462255.2	912413.4	826224.9	1311514.7	1276329.6	1475678.4	1243893.5	854701.8	809453	853534.6	814221.4	826690.2	1867849.8	1928894.1	446106.6	607853.3	1271125.7	765698.6	887007.6	1197874.2	893732.7	620448.3	821216.9	918886.9	1464147.2	2093877	946671.9	1110888.3	1449777.5	769129.7	919908	1432965.9	1045925.7	669752.6	1505871.4	1961215.8	1111291.9	665530.1	600177.8	983337.4	817102.7	1700806.8	1744987.8	1643933.4	610301.1	426261.6	793169.4	763936.8	537780.3	791768.5	1305827.6	606312.2	733588.7	1426221	976227.6	566580.5	2860233.1	1771291.3	360014	766382	1647029.1	1681247.1	755707	735746.1	629381.8	744047.2	1276011.5	1956127.7	572402.8	704951.5	603724.4	787584.4	1303435.7	227784.2	1294537.3	1469916	798217.2	1366415.8	1551926.4	1093444.3	713644.5	777983.3	839793.1	1749481.5	1141189.8	568836	814754.6	651309.5	723169.1	1393086.9	803489.4	838451.6	1115669.2	1125955.1	655697.9	751200.5	699045	997227.2	716808.6	1137503.2	1117400.8	932907.4	1407432.3	730352.2	2071756.2	1760690.8	779600.4	792062.9	680224.7	1102179.7	676260.6	820797.1	733709.1	213477.5	1653360.8	714077.9	223147.1	847704.1	1150528.8	1311878.3	962131.6	1188409.1	903005.7	1357063.3	736566.8	1915266.2	2917113.9	2732101.6	638931.7	1432893.4	974628.4	740333.6	791235.9	1572706.3	1007897.8	1380235.1	1310621.5	695487.3	557355.5	494665.5	729439.6	874022	1123554.1	1489516.6	792237.7	687724.9	837001.1	725189.9	2059286.5	1768802.7	439920.5	443013.7	1843644.7	1835921.6	616491.4	1252974.6	808486.3	730323.3	727465.4	1346107.8	978620.6	874281.5	1291047.7	181477.1	723933.1	692736.8	942093.6	868908.7	728839.5	795202.5	793270.2	787719	827330.8	715888.1	1764122.4	2318841.8	651192.6	1215171.6	445482.2	651720.3	968035.3	730470	804697.6	1100615.7	762974	547931.1	1187070.6	292955.6	1537903.3	623666.7	1016780.2	1052853.4	1081329	1070920	555457.9	971823	2393962.1	2222867.5	1350099.2	728410	860301.2	691494.6	705759.9	707279.6	1590032.7	780307.2	853764.3	834403.8	782525.6	796856.3	1029571.1	887158	1086759.9	970535.5	781074.4	762672.2	1099232.1	690097.3	2134659.6	2141699.9	1143250.1	1129431.2	973120	1198395.7	920109.4	1237169.5	1204216	1542439.2	888839.1	937045.8	1165911.8	1005371.8	804896	647155.8	934306.1	1059933.8	653509.1	737690.8	1365939	835610.1	2572985.7	2630894.2	426030.4	345506.2	1867641	1669942.6	616270.6	940934.3	1140889.3	1772735.4	795074.6	861901.3	1014061.5	1035970.5	0	1361706.8	785563.7	754990.3	664267.2	925206.3	602747.7	899788.5	899500.3	692050.9	881220.5	987888.6	112099.7	2143223.6	849914	506531.6	583538.1	1313071.5	772935.6	586367.9	1728492.5	801420.3	1479939.5	1397949.1	0	673609.4	621321.8	580880.9	814177.9	567678.4	1147733	860864	761393.2	829424.9	2148022.8	2054631.5	850870	1060888.2	1250033.7	867997	1644565	1096114.2	851324.9	879085.5	1180653.3	865392	1347462	769827.6	0	1802428.1	707334.1	775610.9	731470.5	2181903.1	2236105.8
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	quantitated m/z	retention time	theoretical.m_z	delta_ppm	Formula	MonoisotopicMass	Adduct	m-z_time
Pyruvate	87.0089	20.2	87.008824	0.87	C3H4O3	88.0161	M-H	87.0089_20.2
FA 4:0 (ButyrateIsobutyrate)	87.0452	23.8	87.045124	0.87	C4H8O2	88.0524	M-H	87.0452_23.8
Lactate	89.0245	21.1	89.024424	0.85	C3H6O3	90.0317	M-H	89.0245_21.1
FA 5:0 (Valerate Isovalerate others)	101.0609	27.4	101.060824	0.75	C5H10O2	102.0681	M-H	101.0609_27.4
OH-butyrate	103.0402	20.8	103.040124	0.74	C4H8O3	104.0474	M-H	103.0402_20.8
FA 6:0 (Caproate Isocaproate others)	115.0766	44.1	115.076424	1.53	C6H12O2	116.0837	M-H	115.0766_44.1
Succinic acid	117.0195	19.5	117.019324	1.5	C4H6O4	118.0266	M-H	117.0195_19.5
Benzoate	121.0296	364	121.029524	0.63	C7H6O2	122.0368	M-H	121.0296_364
2-Methylmaleate	129.0195	21	129.019324	1.36	C5H6O4	130.0266	M-H	129.0195_21
KetoleucineKetoisoleucine	129.0559	28.7	129.055724	1.36	C6H10O3	130.063	M-H	129.0559_28.7
FA 7:0	129.0923	90.4	129.092124	1.36	C7H14O2	130.0994	M-H	129.0923_90.4
Glutaric acid	131.0351	21.8	131.035024	0.58	C5H8O4	132.0423	M-H	131.0351_21.8
Malic acid	133.0144	19.5	133.014224	1.32	C4H6O5	134.0215	M-H	133.0144_19.5
2-Phenylacetate	135.0454	116.7	135.045124	2.04	C8H8O2	136.0524	M-H	135.0454_116.7
Hydroxybenzoate	137.0245	36.2	137.024424	0.55	C7H6O3	138.0317	M-H	137.0245_36.2
FA 8:0 (Octanoate)	143.1078	199	143.107724	0.53	C8H16O2	144.115	M-H	143.1078_199
Ketoglutarate/Oxoglutarate	145.0144	20.6	145.014224	1.21	C5H6O5	146.0215	M-H	145.0144_20.6
Adipate	145.0508	22.2	145.050624	1.21	C6H10O4	146.0579	M-H	145.0508_22.2
Lysine	145.0984	24.9	145.098224	1.21	C6H14N2O2	146.1055	M-H	145.0984_24.9
Glutamate	146.0457	19.8	146.045824	0.85	C5H9NO4	147.0531	M-H	146.0457_19.8
Cinnamic acid	147.0453	27.4	147.045124	1.2	C9H8O2	148.0524	M-H	147.0453_27.4
Mevalonic acid	147.0664	21.4	147.066324	0.52	C6H12O4	148.0736	M-H	147.0664_21.4
Hydrocinnamic acid	149.0609	49.5	149.060824	0.51	C9H10O2	150.0681	M-H	149.0609_49.5
Dihydroxybenzoate	153.0193	63.8	153.019324	0.16	C7H6O4	154.0266	M-H	153.0193_63.8
Histidine	154.0624	22.4	154.062224	1.14	C6H9N3O2	155.0695	M-H	154.0624_22.4
FA 9:0	157.1235	227.1	157.123424	0.48	C9H18O2	158.1307	M-H	157.1235_227.1
Oxoadipic acid	159.03	22.4	159.029924	0.48	C6H8O5	160.0372	M-H	159.03_22.4
Glucose	161.0457	22.4	161.04501	4.28	C6H12O6	180.0634	M-H2O-H	161.0457_22.4
Coumarate	163.0403	44.4	163.040124	1.08	C9H8O3	164.0474	M-H	163.0403_44.4
2-Deoxyglucose	163.0614	22.8	163.061224	1.08	C6H12O5	164.0685	M-H	163.0614_22.8
Hydroxyphenylpropionate	165.0558	33	165.055724	0.46	C9H10O3	166.063	M-H	165.0558_33
Phosphoenolpyruvate	166.9752	18.9	166.975124	0.46	C3H5O6P	167.9824	M-H	166.9752_18.9
Urate	167.0212	20.3	167.021024	1.05	C5H4N4O3	168.0283	M-H	167.0212_20.3
Homogentisate	167.0351	28.6	167.035024	0.45	C8H8O4	168.0423	M-H	167.0351_28.6
Dehydroshikimate	171.0297	23.3	171.029924	1.31	C7H8O5	172.0372	M-H	171.0297_23.3
(CisTrans)-Aconitate	173.0093	21	173.009124	1.02	C6H6O6	174.0164	M-H	173.0093_21
Shikimic acid	173.0457	21.2	173.045524	1.02	C7H10O5	174.0528	M-H	173.0457_21.2
Suberate	173.0821	19.9	173.081924	1.02	C8H14O4	174.0892	M-H	173.0821_19.9
Arginine	173.1045	23.9	173.104424	0.44	C6H14N4O2	174.1117	M-H	173.1045_23.9
N-Acetylaspartate	174.041	14.5	174.040824	1.01	C6H9NO5	175.0481	M-H	174.041_14.5
Fumaric acid	175.0249	21	175.024851	0.28	C4H4O4	116.011	M+Hac-H	175.0249_21
Caffeic acid	179.0352	28.3	179.035024	0.98	C9H8O4	180.0423	M-H	179.0352_28.3
Phosphoglycerate	184.9859	19.1	184.985624	1.49	C3H7O7P	185.9929	M-H	184.9859_19.1
Azelaic acid	187.0978	20.3	187.097624	0.94	C9H16O4	188.1049	M-H	187.0978_20.3
OH-FA10:0	187.1341	204.2	187.134024	0.41	C10H20O3	188.1413	M-H	187.1341_204.2
Acetylglutamate	188.0566	353.5	188.056424	0.94	C7H11NO5	189.0637	M-H	188.0566_353.5
Citric acid; Isocitric acid	191.0199	20.1	191.019724	0.92	C6H8O7	192.027	M-H	191.0199_20.1
Ferulic acid	193.0508	86.8	193.050624	0.91	C10H10O4	194.0579	M-H	193.0508_86.8
Gluconic acid	195.0509	22.9	195.051024	0.64	C6H12O7	196.0583	M-H	195.0509_22.9
Vanillylmandelate	197.0457	30.7	197.045524	0.89	C9H10O5	198.0528	M-H	197.0457_30.7
FA 12:0 (Laurate)	199.1704	286.7	199.170324	0.38	C12H24O2	200.1776	M-H	199.1704_286.7
Tryptophan	203.0828	33.4	203.082624	0.87	C11H12N2O2	204.0899	M-H	203.0828_33.4
OH-FA12:0	215.1654	226.5	215.165324	0.35	C12H24O3	216.1726	M-H	215.1654_226.5
N-Acetylglucosamine	220.0827	22.3	220.082624	0.35	C8H15NO6	221.0899	M-H	220.0827_22.3
FA 14:0 (Myristate)	227.2018	325.2	227.201624	0.77	C14H28O2	228.2089	M-H	227.2018_325.2
FA 16:1 (Palmitoleic)	253.2173	334.5	253.217324	0.09	C16H30O2	254.2246	M-H	253.2173_334.5
FA 16:0 (Palmitate)	255.233	363.6	255.232924	0.3	C16H32O2	256.2402	M-H	255.233_363.6
Inosine	267.0722	21.4	267.073524	4.96	C10H12N4O5	268.0808	M-H	267.0722_21.4
FA 17:0	269.2488	386	269.248624	0.65	C17H34O2	270.2559	M-H	269.2488_386
FA 18:3 n-3 or n-6 (Linolenic acid)	277.2175	323.5	277.217324	0.63	C18H30O2	278.2246	M-H	277.2175_323.5
FA 18:2 (Linoleic acid)	279.2332	345.4	279.232924	0.99	C18H32O2	280.2402	M-H	279.2332_345.4
FA 18:1 (Oleic acid)	281.2488	370.5	281.248624	0.63	C18H34O2	282.2559	M-H	281.2488_370.5
FA 18:0 (Stearic acid)	283.2643	421.8	283.264224	0.27	C18H36O2	284.2715	M-H	283.2643_421.8
Retinoic acid	299.2016	310.8	299.201624	0.08	C20H28O2	300.2089	M-H	299.2016_310.8
FA 20:5 (Eicosapentaenoic acid)	301.2165	319.9	301.217324	2.74	C20H30O2	302.2246	M-H	301.2165_319.9
MG(14:00:00:0)	301.2385	366.1	301.238424	0.25	C17H34O4	302.2457	M-H	301.2385_366.1
FA 20:4 (Arachidonic acid)	303.233	337.7	303.232924	0.25	C20H32O2	304.2402	M-H	303.233_337.7
FA 20:3 (Homolinoleic acid)	305.2487	356.7	305.248624	0.25	C20H34O2	306.2559	M-H	305.2487_356.7
N-Acetylneuraminate	308.0988	20.1	308.098724	0.25	C11H19NO9	309.106	M-H	308.0988_20.1
FA 20:1 (Gondoic acid)	309.28	424.8	309.279924	0.25	C20H38O2	310.2872	M-H	309.28_424.8
FA 20:0 (Arachidic acid)	311.2958	429.4	311.295524	0.89	C20H40O2	312.3028	M-H	311.2958_429.4
Docosahexaenoic acid (FA 22:6)	327.2331	327.8	327.232924	0.54	C22H32O2	328.2402	M-H	327.2331_327.8
FA 22:5 n-3 or n-5	329.2477	344.1	329.248624	2.81	C22H34O2	330.2559	M-H	329.2477_344.1
FA 22:4 (Docosatetraenoic acid)	331.2636	365	331.264224	1.88	C22H36O2	332.2715	M-H	331.2636_365
MG(18:10:00:0)	355.2855	425.7	355.285424	0.21	C21H40O4	356.2927	M-H	355.2855_425.7
Chenodeoxycholate (CDCA); Deoxycholate (CDA)	391.2854	245.5	391.285424	0.06	C24H40O4	392.2927	M-H	391.2854_245.5
PFNA	462.9639	250.4	462.962924	2.11	C9HF17O2	463.9702	M-H	462.9639_250.4
PFOS	498.9308	266.3	498.930224	1.15	C8HF17O3S	499.9375	M-H	498.9308_266.3
METABOLITES_END
#END