#METABOLOMICS WORKBENCH scarlettcanny@gmail.com_20160308_9003251_mwtab.txt DATATRACK_ID:548 efahy_20160310_072404 STUDY_ID:ST000355 ANALYSIS_ID:AN000580 PROJECT_ID:PR000284 VERSION 1 CREATED_ON March 10, 2016, 8:10 am #PROJECT PR:PROJECT_TITLE Breast Cancer GC/MS and LC/MS plasma data from City of Hope Hospital PR:PROJECT_TYPE GC/MS and LC/MS metabolomics profiling PR:PROJECT_SUMMARY Breast cancer diagnosis profiling PR:INSTITUTE UNIVERSITY OF HAWAII CANCER CENTER PR:DEPARTMENT Metabolomics Shared Resource, Cancer Center PR:LAST_NAME Xie PR:FIRST_NAME Guoxiang PR:ADDRESS 701 ILALO STREET HONOLULU, HI 96813 PR:EMAIL gxie@cc.hawaii.edu PR:PHONE (808) 564-5938 #STUDY ST:STUDY_TITLE GC/MS and LC/MS metabolomics profiling for breast cancer plasma data and control ST:STUDY_TITLE plasma data ST:STUDY_TYPE metabolomics profiling ST:STUDY_SUMMARY Use GC/MS and LC/MS technique to profile breast cancer samples and normal ST:STUDY_SUMMARY control samples ST:INSTITUTE UNIVERSITY OF HAWAII CANCER CENTER ST:DEPARTMENT Metabolomics Shared Resource ST:LAST_NAME Xie ST:FIRST_NAME Guoxiang ST:ADDRESS 701 ILALO STREET HONOLULU, HI 96813 ST:EMAIL gxie@cc.hawaii.edu ST:PHONE (808) 564-5938 #SUBJECT SU:SUBJECT_TYPE Human breast cancer and normal controls plasma metabolomics profiling SU:SUBJECT_SPECIES Homo sapiens #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - PN00506 Diagnosis:Breast cancer | Stage:2 Sub-group=1; Clinical_Parameters=89; ER=-; PR=-; HER-2 neu=-; YOB=1977; Age (now)=37; Age (BOD-OD)=31; Race=Other; Stage OB=2; BMI=21.8; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN00032 Diagnosis:Breast cancer | Stage:2 Sub-group=2; Clinical_Parameters=218; ER=-; PR=-; HER-2 neu=1; YOB=1974; Age (now)=40; Age (BOD-OD)=32; Race=Other; Stage OB=2b; BMI=22.9; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN01613 Diagnosis:Breast cancer | Stage:3 Sub-group=2; Clinical_Parameters=182; ER=-; PR=-; HER-2 neu=1; YOB=1977; Age (now)=37; Age (BOD-OD)=32; Race=White; Stage OB=3; BMI=23.1; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN01461 Diagnosis:Breast cancer | Stage:3 Sub-group=1; Clinical_Parameters=178; ER=NA; PR=NA; HER-2 neu=NA; YOB=1978; Age (now)=36; Age (BOD-OD)=32; Race=white; Stage OB=3a; BMI=NA; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN00516 Diagnosis:Breast cancer | Stage:3 Sub-group=2; Clinical_Parameters=93; ER=-; PR=-; HER-2 neu=-; YOB=1975; Age (now)=39; Age (BOD-OD)=33; Race=White; Stage OB=3; BMI=24.4; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN00528 Diagnosis:Breast cancer | Stage:3 Sub-group=1; Clinical_Parameters=100; ER=-; PR=-; HER-2 neu=-; YOB=1975; Age (now)=39; Age (BOD-OD)=33; Race=White; Stage OB=3; BMI=30; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN00746 Diagnosis:Breast cancer | Stage:2 Sub-group=1; Clinical_Parameters=126; ER=-; PR=-; HER-2 neu=-; YOB=1975; Age (now)=39; Age (BOD-OD)=34; Race=White; Stage OB=2; BMI=34.4; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN00529 Diagnosis:Breast cancer | Stage:2 Sub-group=1; Clinical_Parameters=103; ER=1; PR=-; HER-2 neu=-; YOB=1972; Age (now)=42; Age (BOD-OD)=36; Race=Black; Stage OB=2; BMI=45.5; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN03439 Diagnosis:Breast cancer | Stage:4 Sub-group=NA; Clinical_Parameters=190; ER=-; PR=-; HER-2 neu=EQUIVOCAL FOR EXPRESSION; YOB=1973; Age (now)=41; Age (BOD-OD)=37; Race=White; Stage OB=4; BMI=25.7; Year of Sample Collection=2010; Prog/Relapse by 9/7/11=40473 SUBJECT_SAMPLE_FACTORS - PN00867 Diagnosis:Breast cancer | Stage:3 Sub-group=2; Clinical_Parameters=137; ER=-; PR=-; HER-2 neu=-; YOB=1973; Age (now)=41; Age (BOD-OD)=37; Race=White; Stage OB=3; BMI=42.9; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN00515 Diagnosis:Breast cancer | Stage:2 Sub-group=2; Clinical_Parameters=91; ER=-; PR=-; HER-2 neu=1; YOB=1970; Age (now)=44; Age (BOD-OD)=38; Race=Asian; Stage OB=2; BMI=22.9; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN00418 Diagnosis:Breast cancer | Stage:3 Sub-group=2; Clinical_Parameters=51; ER=-; PR=-; HER-2 neu=-; YOB=1970; Age (now)=44; Age (BOD-OD)=38; Race=White; Stage OB=3; BMI=36.8; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN00031 Diagnosis:Breast cancer | Stage:2 Sub-group=2; Clinical_Parameters=17; ER=-; PR=-; HER-2 neu=1; YOB=1968; Age (now)=46; Age (BOD-OD)=38; Race=Black; Stage OB=2; BMI=28.5; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN01144 Diagnosis:Breast cancer | Stage:2 Sub-group=2; Clinical_Parameters=159; ER=-; PR=-; HER-2 neu=-; YOB=1970; Age (now)=44; Age (BOD-OD)=39; Race=White; Stage OB=2; BMI=25.4; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN00027 Diagnosis:Breast cancer | Stage:3 Sub-group=2; Clinical_Parameters=8; ER=-; PR=-; HER-2 neu=1; YOB=1967; Age (now)=47; Age (BOD-OD)=39; Race=Asian; Stage OB=3; BMI=25.4; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN00527 Diagnosis:Breast cancer | Stage:2 Sub-group=2; Clinical_Parameters=97; ER=1; PR=1; HER-2 neu=-; YOB=1968; Age (now)=46; Age (BOD-OD)=40; Race=Other; Stage OB=2; BMI=26.5; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN00862 Diagnosis:Breast cancer | Stage:3 Sub-group=1; Clinical_Parameters=135; ER=1; PR=1; HER-2 neu=1; YOB=1969; Age (now)=45; Age (BOD-OD)=40; Race=White; Stage OB=3; BMI=32.9; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN03126 Diagnosis:Breast cancer | Stage:4 Sub-group=NA; Clinical_Parameters=75; ER=-; PR=-; HER-2 neu=-; YOB=1970; Age (now)=44; Age (BOD-OD)=40; Race=White; Stage OB=4; BMI=30.2; Year of Sample Collection=2010; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN01884 Diagnosis:Breast cancer | Stage:2 Sub-group=1; Clinical_Parameters=192; ER=NA; PR=NA; HER-2 neu=NA; YOB=1970; Age (now)=44; Age (BOD-OD)=40; Race=Asian; Stage OB=2b; BMI=NA; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN00414 Diagnosis:Breast cancer | Stage:2 Sub-group=2; Clinical_Parameters=48; ER=1; PR=1; HER-2 neu=-; YOB=1967; Age (now)=47; Age (BOD-OD)=41; Race=White; Stage OB=2; BMI=22.7; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN00538 Diagnosis:Breast cancer | Stage:2 Sub-group=2; Clinical_Parameters=104; ER=1; PR=-; HER-2 neu=-; YOB=1967; Age (now)=47; Age (BOD-OD)=41; Race=White; Stage OB=2; BMI=29.8; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN02097 Diagnosis:Breast cancer | Stage:3 Sub-group=2; Clinical_Parameters=209; ER=-; PR=-; HER-2 neu=1; YOB=1968; Age (now)=46; Age (BOD-OD)=42; Race=unknown; Stage OB=3a; BMI=28.5; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN00888 Diagnosis:Breast cancer | Stage:2 Sub-group=2; Clinical_Parameters=139; ER=-; PR=-; HER-2 neu=-; YOB=1966; Age (now)=48; Age (BOD-OD)=43; Race=Black; Stage OB=2b; BMI=33.7; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN00614-1 Diagnosis:Breast cancer | Stage:3 Sub-group=2; Clinical_Parameters=112; ER=1; PR=1; HER-2 neu=1; YOB=1965; Age (now)=49; Age (BOD-OD)=43; Race=White; Stage OB=3; BMI=41.5; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN00038 Diagnosis:Breast cancer | Stage:2 Sub-group=2; Clinical_Parameters=26; ER=-; PR=-; HER-2 neu=-; YOB=1962; Age (now)=52; Age (BOD-OD)=44; Race=White; Stage OB=2; BMI=35.5; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN00743 Diagnosis:Breast cancer | Stage:2 Sub-group=2; Clinical_Parameters=123; ER=1; PR=1; HER-2 neu=1; YOB=1965; Age (now)=49; Age (BOD-OD)=44; Race=White; Stage OB=2; BMI=29.2; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN00937 Diagnosis:Breast cancer | Stage:2 Sub-group=1; Clinical_Parameters=149; ER=1; PR=-; HER-2 neu=1; YOB=1965; Age (now)=49; Age (BOD-OD)=44; Race=White; Stage OB=2; BMI=30.5; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN00036 Diagnosis:Breast cancer | Stage:3 Sub-group=2; Clinical_Parameters=23; ER=-; PR=-; HER-2 neu=1; YOB=1962; Age (now)=52; Age (BOD-OD)=44; Race=Asian; Stage OB=3; BMI=23.2; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN00751 Diagnosis:Breast cancer | Stage:3 Sub-group=2; Clinical_Parameters=127; ER=-; PR=-; HER-2 neu=-; YOB=1965; Age (now)=49; Age (BOD-OD)=44; Race=Other; Stage OB=3; BMI=24.2; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN01667 Diagnosis:Breast cancer | Stage:3 Sub-group=1; Clinical_Parameters=184; ER=1; PR=1; HER-2 neu=-; YOB=1965; Age (now)=49; Age (BOD-OD)=44; Race=White; Stage OB=3; BMI=31.1; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN02200 Diagnosis:Breast cancer | Stage:3 Sub-group=1; Clinical_Parameters=225; ER=1; PR=1; HER-2 neu=-; YOB=1966; Age (now)=48; Age (BOD-OD)=44; Race=White; Stage OB=3; BMI=37.9; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN02546 Diagnosis:Breast cancer | Stage:1 Sub-group=-; Clinical_Parameters=9; ER=1; PR=1; HER-2 neu=-; YOB=1964; Age (now)=50; Age (BOD-OD)=45; Race=White; Stage OB=1; BMI=36.5; Year of Sample Collection=2009; Prog/Relapse by 9/7/11=N SUBJECT_SAMPLE_FACTORS - PN00023 Diagnosis:Breast cancer | Stage:2 Sub-group=1; Clinical_Parameters=3; ER=1; PR=1; HER-2 neu=-; YOB=1961; Age (now)=53; Age (BOD-OD)=45; Race=White; Stage OB=2; BMI=27.3; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN01001 Diagnosis:Breast cancer | Stage:3 Sub-group=1; Clinical_Parameters=152; ER=-; PR=-; HER-2 neu=-; YOB=1964; Age (now)=50; Age (BOD-OD)=45; Race=White; Stage OB=3c; BMI=31.6; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN00614-2 Diagnosis:Breast cancer | Stage:3 Sub-group=1; Clinical_Parameters=113; ER=NA; PR=NA; HER-2 neu=NA; YOB=1965; Age (now)=49; Age (BOD-OD)=45; Race=White; Stage OB=3; BMI=41.5; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN03929 Diagnosis:Control | Stage:- Sub-group=4; Clinical_Parameters=10; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=40; Race=L; Stage OB=NA; BMI=NA; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN03958 Diagnosis:Control | Stage:- Sub-group=3; Clinical_Parameters=90; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=40; Race=C; Stage OB=NA; BMI=NA; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN03979 Diagnosis:Control | Stage:- Sub-group=4; Clinical_Parameters=145; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=40; Race=C; Stage OB=NA; BMI=NA; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN03980 Diagnosis:Control | Stage:- Sub-group=1; Clinical_Parameters=148; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=40; Race=C; Stage OB=NA; BMI=NA; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN04004 Diagnosis:Control | Stage:- Sub-group=3; Clinical_Parameters=217; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=40; Race=B; Stage OB=NA; BMI=NA; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN04005 Diagnosis:Control | Stage:- Sub-group=4; Clinical_Parameters=220; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=40; Race=B; Stage OB=NA; BMI=NA; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN03927 Diagnosis:Control | Stage:- Sub-group=2; Clinical_Parameters=4; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=39; Race=L; Stage OB=NA; BMI=NA; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN03937 Diagnosis:Control | Stage:- Sub-group=4; Clinical_Parameters=33; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=39; Race=L; Stage OB=NA; BMI=NA; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN03939 Diagnosis:Control | Stage:- Sub-group=2; Clinical_Parameters=39; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=39; Race=L; Stage OB=NA; BMI=NA; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN03953 Diagnosis:Control | Stage:- Sub-group=3; Clinical_Parameters=76; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=39; Race=C; Stage OB=NA; BMI=NA; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN03959 Diagnosis:Control | Stage:- Sub-group=4; Clinical_Parameters=92; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=39; Race=C; Stage OB=NA; BMI=NA; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN03961 Diagnosis:Control | Stage:- Sub-group=2; Clinical_Parameters=96; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=39; Race=C; Stage OB=NA; BMI=NA; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN03967 Diagnosis:Control | Stage:- Sub-group=4; Clinical_Parameters=114; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=39; Race=C; Stage OB=NA; BMI=NA; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN03973 Diagnosis:Control | Stage:- Sub-group=2; Clinical_Parameters=131; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=39; Race=C; Stage OB=NA; BMI=NA; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN03978 Diagnosis:Control | Stage:- Sub-group=3; Clinical_Parameters=142; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=39; Race=C; Stage OB=NA; BMI=NA; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN04002 Diagnosis:Control | Stage:- Sub-group=1; Clinical_Parameters=211; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=39; Race=B; Stage OB=NA; BMI=NA; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN03932 Diagnosis:Control | Stage:- Sub-group=3; Clinical_Parameters=19; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=38; Race=L; Stage OB=NA; BMI=NA; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN03942 Diagnosis:Control | Stage:- Sub-group=1; Clinical_Parameters=47; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=38; Race=L; Stage OB=NA; BMI=NA; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN03944 Diagnosis:Control | Stage:- Sub-group=3; Clinical_Parameters=53; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=38; Race=L; Stage OB=NA; BMI=NA; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN03945 Diagnosis:Control | Stage:- Sub-group=4; Clinical_Parameters=56; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=38; Race=L; Stage OB=NA; BMI=NA; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN03969 Diagnosis:Control | Stage:- Sub-group=2; Clinical_Parameters=119; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=38; Race=C; Stage OB=NA; BMI=NA; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN03974 Diagnosis:Control | Stage:- Sub-group=3; Clinical_Parameters=134; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=38; Race=C; Stage OB=NA; BMI=NA; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN04003 Diagnosis:Control | Stage:- Sub-group=2; Clinical_Parameters=214; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=38; Race=B; Stage OB=NA; BMI=NA; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN03931 Diagnosis:Control | Stage:- Sub-group=2; Clinical_Parameters=16; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=37; Race=L; Stage OB=NA; BMI=NA; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN03960 Diagnosis:Control | Stage:- Sub-group=1; Clinical_Parameters=94; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=37; Race=C; Stage OB=NA; BMI=NA; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN03962 Diagnosis:Control | Stage:- Sub-group=3; Clinical_Parameters=99; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=37; Race=C; Stage OB=NA; BMI=NA; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN04000 Diagnosis:Control | Stage:- Sub-group=3; Clinical_Parameters=206; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=37; Race=B; Stage OB=NA; BMI=NA; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN04001 Diagnosis:Control | Stage:- Sub-group=4; Clinical_Parameters=208; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=37; Race=B; Stage OB=NA; BMI=NA; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN04006 Diagnosis:Control | Stage:- Sub-group=2; Clinical_Parameters=223; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=37; Race=B; Stage OB=NA; BMI=NA; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN04007 Diagnosis:Control | Stage:- Sub-group=3; Clinical_Parameters=226; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=37; Race=B; Stage OB=NA; BMI=NA; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN03957 Diagnosis:Control | Stage:- Sub-group=2; Clinical_Parameters=88; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=36; Race=C; Stage OB=NA; BMI=NA; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN03963 Diagnosis:Control | Stage:- Sub-group=4; Clinical_Parameters=102; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=36; Race=C; Stage OB=NA; BMI=NA; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN03971 Diagnosis:Control | Stage:- Sub-group=4; Clinical_Parameters=125; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=36; Race=C; Stage OB=NA; BMI=NA; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN03977 Diagnosis:Control | Stage:- Sub-group=2; Clinical_Parameters=140; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=36; Race=C; Stage OB=NA; BMI=NA; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN03930 Diagnosis:Control | Stage:- Sub-group=1; Clinical_Parameters=13; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=35; Race=L; Stage OB=NA; BMI=NA; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN00465 Diagnosis:Breast cancer | Stage:2 Sub-group=2; Clinical_Parameters=71; ER=1; PR=1; HER-2 neu=1; YOB=1962; Age (now)=52; Age (BOD-OD)=46; Race=White; Stage OB=2; BMI=24.4; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN00936 Diagnosis:Breast cancer | Stage:2 Sub-group=2; Clinical_Parameters=146; ER=-; PR=-; HER-2 neu=-; YOB=1963; Age (now)=51; Age (BOD-OD)=46; Race=White; Stage OB=2; BMI=30.1; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN01512 Diagnosis:Breast cancer | Stage:3 Sub-group=2; Clinical_Parameters=181; ER=1; PR=-; HER-2 neu=1; YOB=1963; Age (now)=51; Age (BOD-OD)=46; Race=White; Stage OB=3c; BMI=30.1; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN01939 Diagnosis:Breast cancer | Stage:3 Sub-group=1; Clinical_Parameters=196; ER=1; PR=1; HER-2 neu=-; YOB=1964; Age (now)=50; Age (BOD-OD)=46; Race=White; Stage OB=3a; BMI=27.5; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN02018 Diagnosis:Breast cancer | Stage:2 Sub-group=2; Clinical_Parameters=205; ER=1; PR=1; HER-2 neu=-; YOB=1963; Age (now)=51; Age (BOD-OD)=47; Race=White; Stage OB=2a; BMI=31.6; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN00502 Diagnosis:Breast cancer | Stage:3 Sub-group=1; Clinical_Parameters=81; ER=-; PR=-; HER-2 neu=-; YOB=1961; Age (now)=53; Age (BOD-OD)=47; Race=White; Stage OB=3; BMI=30; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN00035 Diagnosis:Breast cancer | Stage:3 Sub-group=1; Clinical_Parameters=21; ER=1; PR=1; HER-2 neu=-; YOB=1959; Age (now)=55; Age (BOD-OD)=47; Race=White; Stage OB=3; BMI=45.3; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN00037 Diagnosis:Breast cancer | Stage:3 Sub-group=1; Clinical_Parameters=25; ER=1; PR=-; HER-2 neu=-; YOB=1959; Age (now)=55; Age (BOD-OD)=47; Race=White; Stage OB=3; BMI=NA; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN00525 Diagnosis:Breast cancer | Stage:2 Sub-group=1; Clinical_Parameters=95; ER=-; PR=-; HER-2 neu=1; YOB=1960; Age (now)=54; Age (BOD-OD)=48; Race=Asian; Stage OB=2; BMI=18.9; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN02008 Diagnosis:Breast cancer | Stage:2 Sub-group=2; Clinical_Parameters=204; ER=1; PR=1; HER-2 neu=-; YOB=1962; Age (now)=52; Age (BOD-OD)=48; Race=White; Stage OB=2b; BMI=23.6; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN00416 Diagnosis:Breast cancer | Stage:3 Sub-group=1; Clinical_Parameters=49; ER=-; PR=-; HER-2 neu=-; YOB=1960; Age (now)=54; Age (BOD-OD)=48; Race=White; Stage OB=3; BMI=35; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN01679 Diagnosis:Breast cancer | Stage:3 Sub-group=2; Clinical_Parameters=186; ER=1; PR=-; HER-2 neu=-; YOB=1961; Age (now)=53; Age (BOD-OD)=48; Race=White; Stage OB=3b; BMI=29.2; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN01342 Diagnosis:Breast cancer | Stage:2 Sub-group=1; Clinical_Parameters=172; ER=1; PR=1; HER-2 neu=1; YOB=1960; Age (now)=54; Age (BOD-OD)=49; Race=Black; Stage OB=2; BMI=36; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN00502 Diagnosis:Breast cancer | Stage:4 Sub-group=-; Clinical_Parameters=213; ER=-; PR=-; HER-2 neu=-; YOB=1961; Age (now)=53; Age (BOD-OD)=49; Race=White; Stage OB=4; BMI=23.5; Year of Sample Collection=2010; Prog/Relapse by 9/7/11=40550 SUBJECT_SAMPLE_FACTORS - PN00358 Diagnosis:Breast cancer | Stage:2 Sub-group=2; Clinical_Parameters=43; ER=1; PR=1; HER-2 neu=-; YOB=1958; Age (now)=56; Age (BOD-OD)=49; Race=White; Stage OB=2; BMI=31.9; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN00443 Diagnosis:Breast cancer | Stage:2 Sub-group=1; Clinical_Parameters=66; ER=1; PR=1; HER-2 neu=-; YOB=1959; Age (now)=55; Age (BOD-OD)=49; Race=White; Stage OB=2; BMI=16.1; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN00468 Diagnosis:Breast cancer | Stage:2 Sub-group=1; Clinical_Parameters=72; ER=1; PR=-; HER-2 neu=-; YOB=1959; Age (now)=55; Age (BOD-OD)=49; Race=White; Stage OB=2; BMI=30.2; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN02021 Diagnosis:Breast cancer | Stage:2 Sub-group=2; Clinical_Parameters=207; ER=1; PR=1; HER-2 neu=1; YOB=1960; Age (now)=54; Age (BOD-OD)=50; Race=Asian; Stage OB=2b; BMI=31.6; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN00029 Diagnosis:Breast cancer | Stage:2 Sub-group=1; Clinical_Parameters=12; ER=1; PR=1; HER-2 neu=-; YOB=1956; Age (now)=58; Age (BOD-OD)=50; Race=White; Stage OB=2; BMI=43.4; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN00693 Diagnosis:Breast cancer | Stage:2 Sub-group=1; Clinical_Parameters=117; ER=1; PR=-; HER-2 neu=-; YOB=1958; Age (now)=56; Age (BOD-OD)=50; Race=Other; Stage OB=2; BMI=NA; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN00895 Diagnosis:Breast cancer | Stage:2 Sub-group=2; Clinical_Parameters=141; ER=1; PR=1; HER-2 neu=1; YOB=1959; Age (now)=55; Age (BOD-OD)=50; Race=White; Stage OB=2; BMI=32; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN00375 Diagnosis:Breast cancer | Stage:3 Sub-group=2; Clinical_Parameters=46; ER=-; PR=-; HER-2 neu=1; YOB=1958; Age (now)=56; Age (BOD-OD)=50; Race=Asian; Stage OB=3; BMI=21.4; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN01932 Diagnosis:Breast cancer | Stage:3 Sub-group=2; Clinical_Parameters=195; ER=1; PR=1; HER-2 neu=-; YOB=1959; Age (now)=55; Age (BOD-OD)=50; Race=White; Stage OB=3a; BMI=38.9; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN00033 Diagnosis:Breast cancer | Stage:2 Sub-group=1; Clinical_Parameters=20; ER=1; PR=1; HER-2 neu=-; YOB=1955; Age (now)=59; Age (BOD-OD)=51; Race=White; Stage OB=2; BMI=25.1; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN00505 Diagnosis:Breast cancer | Stage:2 Sub-group=2; Clinical_Parameters=86; ER=-; PR=-; HER-2 neu=-; YOB=1957; Age (now)=57; Age (BOD-OD)=51; Race=White; Stage OB=2; BMI=34.9; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN01196 Diagnosis:Breast cancer | Stage:2 Sub-group=1; Clinical_Parameters=161; ER=1; PR=1; HER-2 neu=-; YOB=1958; Age (now)=56; Age (BOD-OD)=51; Race=Asian; Stage OB=2; BMI=28.7; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN01410 Diagnosis:Breast cancer | Stage:2 Sub-group=2; Clinical_Parameters=173; ER=-; PR=-; HER-2 neu=-; YOB=1958; Age (now)=56; Age (BOD-OD)=51; Race=White; Stage OB=2; BMI=29.4; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN00469 Diagnosis:Breast cancer | Stage:3 Sub-group=2; Clinical_Parameters=74; ER=-; PR=-; HER-2 neu=-; YOB=1957; Age (now)=57; Age (BOD-OD)=51; Race=White; Stage OB=3; BMI=28.3; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN00030 Diagnosis:Breast cancer | Stage:3 Sub-group=2; Clinical_Parameters=14; ER=1; PR=1; HER-2 neu=-; YOB=1954; Age (now)=60; Age (BOD-OD)=52; Race=White; Stage OB=3; BMI=33.8; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN00339 Diagnosis:Breast cancer | Stage:3 Sub-group=1; Clinical_Parameters=40; ER=1; PR=1; HER-2 neu=-; YOB=1955; Age (now)=59; Age (BOD-OD)=52; Race=Asian; Stage OB=3; BMI=20.8; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN00358 Diagnosis:Breast cancer | Stage:4 Sub-group=-; Clinical_Parameters=15; ER=1; PR=1; HER-2 neu=-; YOB=1958; Age (now)=56; Age (BOD-OD)=52; Race=White; Stage OB=4; BMI=30.5; Year of Sample Collection=2010; Prog/Relapse by 9/7/11=40490 SUBJECT_SAMPLE_FACTORS - PN00861 Diagnosis:Breast cancer | Stage:2 Sub-group=1; Clinical_Parameters=132; ER=-; PR=1; HER-2 neu=1; YOB=1956; Age (now)=58; Age (BOD-OD)=53; Race=Asian; Stage OB=2; BMI=27.5; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN00462 Diagnosis:Breast cancer | Stage:3 Sub-group=1; Clinical_Parameters=69; ER=1; PR=-; HER-2 neu=-; YOB=1955; Age (now)=59; Age (BOD-OD)=53; Race=White; Stage OB=3; BMI=24.5; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN02249 Diagnosis:Breast cancer | Stage:3 Sub-group=1; Clinical_Parameters=219; ER=-; PR=1; HER-2 neu=1; YOB=1957; Age (now)=57; Age (BOD-OD)=53; Race=White; Stage OB=3a; BMI=31.8; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN02675 Diagnosis:Breast cancer | Stage:4 Sub-group=-; Clinical_Parameters=52; ER=-; PR=-; HER-2 neu=EQUIVOCAL FOR OVEREXPRESSION (SCORE 2); YOB=1957; Age (now)=57; Age (BOD-OD)=53; Race=Oriental; Stage OB=4; BMI=39.8; Year of Sample Collection=2010; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN00482 Diagnosis:Breast cancer | Stage:2 Sub-group=1; Clinical_Parameters=80; ER=1; PR=1; HER-2 neu=1; YOB=1954; Age (now)=60; Age (BOD-OD)=54; Race=Asian; Stage OB=2; BMI=24.1; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN00271 Diagnosis:Breast cancer | Stage:3 Sub-group=2; Clinical_Parameters=34; ER=1; PR=1; HER-2 neu=1; YOB=1953; Age (now)=61; Age (BOD-OD)=54; Race=Black; Stage OB=3-Feb; BMI=37.4; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN00436 Diagnosis:Breast cancer | Stage:3 Sub-group=2; Clinical_Parameters=60; ER=-; PR=-; HER-2 neu=1; YOB=1954; Age (now)=60; Age (BOD-OD)=54; Race=Asian; Stage OB=3; BMI=36; Year of Sample Collection=NA; Prog/Relapse by 9/7/11=NA SUBJECT_SAMPLE_FACTORS - PN03213 Diagnosis:Breast cancer | Stage:4 Sub-group=-; Clinical_Parameters=29; ER=-; PR=-; HER-2 neu=1; YOB=1956; Age (now)=58; Age (BOD-OD)=54; Race=White; Stage OB=4; BMI=50; Year of Sample Collection=2010; Prog/Relapse by 9/7/11=40581 SUBJECT_SAMPLE_FACTORS - PN03702 Diagnosis:Breast cancer | Stage:4 Sub-group=-; Clinical_Parameters=199; ER=1; PR=1; HER-2 neu=1; YOB=1956; Age (now)=58; Age (BOD-OD)=54; Race=Oriental; Stage OB=4; BMI=22.7; Year of Sample Collection=2010; Prog/Relapse by 9/7/11=40630 SUBJECT_SAMPLE_FACTORS - PN00427 Diagnosis:Breast cancer | Stage:2 Sub-group=1; Clinical_Parameters=57; ER=1; PR=1; HER-2 neu=-; YOB=1953; Age (now)=61; Age (BOD-OD)=55; Race=White; Stage OB=2; BMI=NA; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN01976 Diagnosis:Breast cancer | Stage:3 Sub-group=1; Clinical_Parameters=198; ER=-; PR=-; HER-2 neu=-; YOB=1955; Age (now)=59; Age (BOD-OD)=55; Race=White; Stage OB=3c; BMI=33.6; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN00339 Diagnosis:Breast cancer | Stage:4 Sub-group=-; Clinical_Parameters=107; ER=1; PR=1; HER-2 neu=-; YOB=1955; Age (now)=59; Age (BOD-OD)=55; Race=Oriental; Stage OB=4; BMI=20.8; Year of Sample Collection=2010; Prog/Relapse by 9/7/11=39771 SUBJECT_SAMPLE_FACTORS - PN03568 Diagnosis:Breast cancer | Stage:4 Sub-group=-; Clinical_Parameters=130; ER=1; PR=1; HER-2 neu=unknown; YOB=1955; Age (now)=59; Age (BOD-OD)=55; Race=White; Stage OB=4; BMI=21.4; Year of Sample Collection=2010; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN00737 Diagnosis:Breast cancer | Stage:2 Sub-group=1; Clinical_Parameters=120; ER=1; PR=1; HER-2 neu=-; YOB=1955; Age (now)=59; Age (BOD-OD)=55; Race=Black; Stage OB=2b; BMI=35.4; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN02528 Diagnosis:Breast cancer | Stage:1 Sub-group=-; Clinical_Parameters=110; ER=-; PR=-; HER-2 neu=1; YOB=1953; Age (now)=61; Age (BOD-OD)=56; Race=Other; Stage OB=1; BMI=24.4; Year of Sample Collection=2009; Prog/Relapse by 9/7/11=N SUBJECT_SAMPLE_FACTORS - PN02261 Diagnosis:Breast cancer | Stage:1 Sub-group=-; Clinical_Parameters=193; ER=-; PR=-; HER-2 neu=equivocal (score 2+); YOB=1952; Age (now)=62; Age (BOD-OD)=57; Race=White; Stage OB=1; BMI=27.5; Year of Sample Collection=2009; Prog/Relapse by 9/7/11=N SUBJECT_SAMPLE_FACTORS - PN02773 Diagnosis:Breast cancer | Stage:1 Sub-group=-; Clinical_Parameters=170; ER=1; PR=1; HER-2 neu=equivocal (score 2); YOB=1953; Age (now)=61; Age (BOD-OD)=57; Race=White; Stage OB=1; BMI=35.9; Year of Sample Collection=2010; Prog/Relapse by 9/7/11=N SUBJECT_SAMPLE_FACTORS - PN00667 Diagnosis:Breast cancer | Stage:3 Sub-group=2; Clinical_Parameters=115; ER=-; PR=-; HER-2 neu=-; YOB=1951; Age (now)=63; Age (BOD-OD)=57; Race=White; Stage OB=3; BMI=47.1; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN01262 Diagnosis:Breast cancer | Stage:3 Sub-group=2; Clinical_Parameters=163; ER=1; PR=1; HER-2 neu=-; YOB=1952; Age (now)=62; Age (BOD-OD)=57; Race=White; Stage OB=3; BMI=27.7; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN03701 Diagnosis:Breast cancer | Stage:4 Sub-group=-; Clinical_Parameters=167; ER=-; PR=-; HER-2 neu=-; YOB=1953; Age (now)=61; Age (BOD-OD)=57; Race=White; Stage OB=4; BMI=38; Year of Sample Collection=2010; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN00002 Diagnosis:Breast cancer | Stage:3 Sub-group=1; Clinical_Parameters=2; ER=1; PR=1; HER-2 neu=-; YOB=1948; Age (now)=66; Age (BOD-OD)=58; Race=Native American; Stage OB=3; BMI=50.4; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN00941 Diagnosis:Breast cancer | Stage:3 Sub-group=1; Clinical_Parameters=150; ER=1; PR=1; HER-2 neu=1; YOB=1950; Age (now)=64; Age (BOD-OD)=59; Race=White; Stage OB=3; BMI=55; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN02007 Diagnosis:Breast cancer | Stage:3 Sub-group=1; Clinical_Parameters=201; ER=1; PR=1; HER-2 neu=-; YOB=1951; Age (now)=63; Age (BOD-OD)=59; Race=White; Stage OB=3b; BMI=31.1; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN03629 Diagnosis:Breast cancer | Stage:4 Sub-group=-; Clinical_Parameters=222; ER=1; PR=-; HER-2 neu=-; YOB=1951; Age (now)=63; Age (BOD-OD)=59; Race=White; Stage OB=4; BMI=26.8; Year of Sample Collection=2010; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN03756 Diagnosis:Breast cancer | Stage:4 Sub-group=-; Clinical_Parameters=38; ER=1; PR=1; HER-2 neu=unknown; YOB=1951; Age (now)=63; Age (BOD-OD)=59; Race=White; Stage OB=4; BMI=23.4; Year of Sample Collection=2010; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN00025 Diagnosis:Breast cancer | Stage:2 Sub-group=2; Clinical_Parameters=5; ER=1; PR=1; HER-2 neu=-; YOB=1947; Age (now)=67; Age (BOD-OD)=59; Race=White; Stage OB=2; BMI=NA; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN02453 Diagnosis:Breast cancer | Stage:1 Sub-group=-; Clinical_Parameters=156; ER=-; PR=-; HER-2 neu=-; YOB=1949; Age (now)=65; Age (BOD-OD)=60; Race=White; Stage OB=1; BMI=31.6; Year of Sample Collection=2009; Prog/Relapse by 9/7/11=N SUBJECT_SAMPLE_FACTORS - PN01055-0001 Diagnosis:Breast cancer | Stage:3 Sub-group=1; Clinical_Parameters=158; ER=NA; PR=NA; HER-2 neu=NA; YOB=1949; Age (now)=65; Age (BOD-OD)=60; Race=White; Stage OB=3; BMI=24.5; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN03460 Diagnosis:Breast cancer | Stage:4 Sub-group=-; Clinical_Parameters=176; ER=1; PR=1; HER-2 neu=-; YOB=1950; Age (now)=64; Age (BOD-OD)=60; Race=White; Stage OB=4; BMI=29.8; Year of Sample Collection=2010; Prog/Relapse by 9/7/11=40499 SUBJECT_SAMPLE_FACTORS - PN03630 Diagnosis:Breast cancer | Stage:4 Sub-group=-; Clinical_Parameters=144; ER=1; PR=1; HER-2 neu=-; YOB=1950; Age (now)=64; Age (BOD-OD)=60; Race=White; Stage OB=4; BMI=27.7; Year of Sample Collection=2010; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN02619 Diagnosis:Breast cancer | Stage:1 Sub-group=-; Clinical_Parameters=18; ER=1; PR=1; HER-2 neu=-; YOB=1949; Age (now)=65; Age (BOD-OD)=61; Race=White; Stage OB=1; BMI=NA; Year of Sample Collection=2010; Prog/Relapse by 9/7/11=No Follow Up SUBJECT_SAMPLE_FACTORS - PN00373 Diagnosis:Breast cancer | Stage:2 Sub-group=1; Clinical_Parameters=44; ER=-; PR=-; HER-2 neu=1; YOB=1947; Age (now)=67; Age (BOD-OD)=61; Race=White; Stage OB=2; BMI=46.3; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN00539 Diagnosis:Breast cancer | Stage:2 Sub-group=1; Clinical_Parameters=106; ER=1; PR=1; HER-2 neu=-; YOB=1947; Age (now)=67; Age (BOD-OD)=61; Race=White; Stage OB=2b; BMI=44.9; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN00848 Diagnosis:Breast cancer | Stage:2 Sub-group=2; Clinical_Parameters=129; ER=1; PR=-; HER-2 neu=1; YOB=1948; Age (now)=66; Age (BOD-OD)=61; Race=White; Stage OB=2; BMI=45.5; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN00028 Diagnosis:Breast cancer | Stage:3 Sub-group=1; Clinical_Parameters=11; ER=-; PR=-; HER-2 neu=1; YOB=1945; Age (now)=69; Age (BOD-OD)=61; Race=White; Stage OB=3; BMI=39.5; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN00082 Diagnosis:Breast cancer | Stage:3 Sub-group=2; Clinical_Parameters=31; ER=-; PR=-; HER-2 neu=1; YOB=1946; Age (now)=68; Age (BOD-OD)=61; Race=-; Stage OB=3c; BMI=NA; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN02118 Diagnosis:Breast cancer | Stage:2 Sub-group=1; Clinical_Parameters=210; ER=NA; PR=NA; HER-2 neu=NA; YOB=1949; Age (now)=65; Age (BOD-OD)=61; Race=Asian; Stage OB=2a; BMI=NA; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN01055-0002 Diagnosis:Breast cancer | Stage:3 Sub-group=2; Clinical_Parameters=155; ER=-; PR=-; HER-2 neu=1; YOB=1949; Age (now)=65; Age (BOD-OD)=61; Race=White; Stage OB=3; BMI=24.5; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN02760 Diagnosis:Breast cancer | Stage:1 Sub-group=-; Clinical_Parameters=147; ER=1; PR=1; HER-2 neu=equivocal (score 1); YOB=1948; Age (now)=66; Age (BOD-OD)=62; Race=White; Stage OB=1; BMI=25.9; Year of Sample Collection=2010; Prog/Relapse by 9/7/11=N SUBJECT_SAMPLE_FACTORS - PN02917 Diagnosis:Breast cancer | Stage:1 Sub-group=-; Clinical_Parameters=202; ER=1; PR=-; HER-2 neu=equivocal (score 2+); YOB=1948; Age (now)=66; Age (BOD-OD)=62; Race=Oriental; Stage OB=1; BMI=15.9; Year of Sample Collection=2010; Prog/Relapse by 9/7/11=N SUBJECT_SAMPLE_FACTORS - PN02304 Diagnosis:Breast cancer | Stage:2 Sub-group=1; Clinical_Parameters=224; ER=-; PR=-; HER-2 neu=1; YOB=1948; Age (now)=66; Age (BOD-OD)=62; Race=White; Stage OB=2b; BMI=28.1; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN00733 Diagnosis:Breast cancer | Stage:3 Sub-group=1; Clinical_Parameters=118; ER=-; PR=-; HER-2 neu=1; YOB=1947; Age (now)=67; Age (BOD-OD)=62; Race=White; Stage OB=3; BMI=28; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN03046 Diagnosis:Breast cancer | Stage:4 Sub-group=-; Clinical_Parameters=98; ER=-; PR=-; HER-2 neu=-; YOB=1948; Age (now)=66; Age (BOD-OD)=62; Race=Black; Stage OB=4; BMI=18.5; Year of Sample Collection=2010; Prog/Relapse by 9/7/11=40455 SUBJECT_SAMPLE_FACTORS - PN02020 Diagnosis:Breast cancer | Stage:1 Sub-group=-; Clinical_Parameters=41; ER=-; PR=1; HER-2 neu=-; YOB=1946; Age (now)=68; Age (BOD-OD)=63; Race=White; Stage OB=1; BMI=27.4; Year of Sample Collection=2009; Prog/Relapse by 9/7/11=N SUBJECT_SAMPLE_FACTORS - PN02307 Diagnosis:Breast cancer | Stage:1 Sub-group=-; Clinical_Parameters=124; ER=1; PR=1; HER-2 neu=-; YOB=1946; Age (now)=68; Age (BOD-OD)=63; Race=White; Stage OB=1; BMI=32.1; Year of Sample Collection=2009; Prog/Relapse by 9/7/11=N SUBJECT_SAMPLE_FACTORS - PN02394 Diagnosis:Breast cancer | Stage:1 Sub-group=-; Clinical_Parameters=133; ER=1; PR=1; HER-2 neu=equivocal; YOB=1946; Age (now)=68; Age (BOD-OD)=63; Race=White; Stage OB=1; BMI=40.5; Year of Sample Collection=2009; Prog/Relapse by 9/7/11=N SUBJECT_SAMPLE_FACTORS - PN00272 Diagnosis:Breast cancer | Stage:2 Sub-group=1; Clinical_Parameters=35; ER=-; PR=-; HER-2 neu=-; YOB=1944; Age (now)=70; Age (BOD-OD)=63; Race=White; Stage OB=2; BMI=23.1; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN00481 Diagnosis:Breast cancer | Stage:2 Sub-group=2; Clinical_Parameters=77; ER=1; PR=1; HER-2 neu=-; YOB=1945; Age (now)=69; Age (BOD-OD)=63; Race=White; Stage OB=2; BMI=26.3; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN00333 Diagnosis:Breast cancer | Stage:3 Sub-group=2; Clinical_Parameters=37; ER=1; PR=-; HER-2 neu=-; YOB=1944; Age (now)=70; Age (BOD-OD)=63; Race=White; Stage OB=3; BMI=24.1; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN00437 Diagnosis:Breast cancer | Stage:3 Sub-group=1; Clinical_Parameters=63; ER=-; PR=-; HER-2 neu=1; YOB=1945; Age (now)=69; Age (BOD-OD)=63; Race=White; Stage OB=3; BMI=32; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN00547 Diagnosis:Breast cancer | Stage:2 Sub-group=2; Clinical_Parameters=109; ER=1; PR=1; HER-2 neu=1; YOB=1944; Age (now)=70; Age (BOD-OD)=64; Race=White; Stage OB=2b; BMI=41.4; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN00919 Diagnosis:Breast cancer | Stage:2 Sub-group=1; Clinical_Parameters=143; ER=-; PR=-; HER-2 neu=1; YOB=1945; Age (now)=69; Age (BOD-OD)=64; Race=Other; Stage OB=2; BMI=29.3; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN03537 Diagnosis:Breast cancer | Stage:4 Sub-group=-; Clinical_Parameters=153; ER=1; PR=-; HER-2 neu=-; YOB=1946; Age (now)=68; Age (BOD-OD)=64; Race=White; Stage OB=4; BMI=33.3; Year of Sample Collection=2010; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN02854 Diagnosis:Breast cancer | Stage:1 Sub-group=-; Clinical_Parameters=78; ER=-; PR=-; HER-2 neu=1; YOB=1945; Age (now)=69; Age (BOD-OD)=65; Race=White; Stage OB=1; BMI=24.3; Year of Sample Collection=2010; Prog/Relapse by 9/7/11=N SUBJECT_SAMPLE_FACTORS - PN02110 Diagnosis:Breast cancer | Stage:2 Sub-group=2; Clinical_Parameters=221; ER=1; PR=1; HER-2 neu=-; YOB=1945; Age (now)=69; Age (BOD-OD)=65; Race=White; Stage OB=2a; BMI=35.4; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN00377 Diagnosis:Breast cancer | Stage:3 Sub-group=2; Clinical_Parameters=212; ER=1; PR=1; HER-2 neu=-; YOB=1943; Age (now)=71; Age (BOD-OD)=65; Race=White; Stage OB=3; BMI=29.9; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN01935 Diagnosis:Breast cancer | Stage:1 Sub-group=-; Clinical_Parameters=32; ER=1; PR=1; HER-2 neu=-; YOB=1943; Age (now)=71; Age (BOD-OD)=66; Race=White; Stage OB=1; BMI=23.3; Year of Sample Collection=2009; Prog/Relapse by 9/7/11=N SUBJECT_SAMPLE_FACTORS - PN01321 Diagnosis:Breast cancer | Stage:2 Sub-group=2; Clinical_Parameters=169; ER=1; PR=1; HER-2 neu=-; YOB=1943; Age (now)=71; Age (BOD-OD)=66; Race=White; Stage OB=2; BMI=36.7; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN01766-0001.5 Diagnosis:Breast cancer | Stage:3 Sub-group=1; Clinical_Parameters=189; ER=NA; PR=NA; HER-2 neu=NA; YOB=1942; Age (now)=72; Age (BOD-OD)=67; Race=White; Stage OB=3; BMI=44.5; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN03438 Diagnosis:Breast cancer | Stage:4 Sub-group=-; Clinical_Parameters=121; ER=1; PR=1; HER-2 neu=-; YOB=1943; Age (now)=71; Age (BOD-OD)=67; Race=White; Stage OB=4; BMI=21.8; Year of Sample Collection=2010; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN02791 Diagnosis:Breast cancer | Stage:1 Sub-group=-; Clinical_Parameters=179; ER=1; PR=1; HER-2 neu=-; YOB=1942; Age (now)=72; Age (BOD-OD)=68; Race=Other; Stage OB=1; BMI=29.1; Year of Sample Collection=2010; Prog/Relapse by 9/7/11=N SUBJECT_SAMPLE_FACTORS - PN01766-0002.6 Diagnosis:Breast cancer | Stage:3 Sub-group=2; Clinical_Parameters=187; ER=-; PR=-; HER-2 neu=1; YOB=1942; Age (now)=72; Age (BOD-OD)=68; Race=White; Stage OB=3; BMI=44.5; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN02944 Diagnosis:Breast cancer | Stage:1 Sub-group=-; Clinical_Parameters=87; ER=1; PR=1; HER-2 neu=-; YOB=1941; Age (now)=73; Age (BOD-OD)=69; Race=White; Stage OB=1; BMI=27.9; Year of Sample Collection=2010; Prog/Relapse by 9/7/11=yr95 stage I, yr10 recurrence SUBJECT_SAMPLE_FACTORS - PN03140 Diagnosis:Breast cancer | Stage:4 Sub-group=-; Clinical_Parameters=6; ER=1; PR=1; HER-2 neu=1; YOB=1941; Age (now)=73; Age (BOD-OD)=69; Race=White; Stage OB=4; BMI=22.3; Year of Sample Collection=2010; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN03579 Diagnosis:Breast cancer | Stage:4 Sub-group=-; Clinical_Parameters=84; ER=1; PR=-; HER-2 neu=1; YOB=1941; Age (now)=73; Age (BOD-OD)=69; Race=Black; Stage OB=4; BMI=24; Year of Sample Collection=2010; Prog/Relapse by 9/7/11=40631 SUBJECT_SAMPLE_FACTORS - PN00537 Diagnosis:Breast cancer | Stage:2 Sub-group=1; Clinical_Parameters=215; ER=1; PR=1; HER-2 neu=1; YOB=1939; Age (now)=75; Age (BOD-OD)=69; Race=Asian; Stage OB=2; BMI=26.9; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN02637 Diagnosis:Breast cancer | Stage:1 Sub-group=-; Clinical_Parameters=101; ER=1; PR=1; HER-2 neu=unknown; YOB=1940; Age (now)=74; Age (BOD-OD)=70; Race=White; Stage OB=1; BMI=23.4; Year of Sample Collection=2010; Prog/Relapse by 9/7/11=N SUBJECT_SAMPLE_FACTORS - PN02523 Diagnosis:Breast cancer | Stage:1 Sub-group=-; Clinical_Parameters=216; ER=1; PR=1; HER-2 neu=equivocal (score 1+); YOB=1938; Age (now)=76; Age (BOD-OD)=71; Race=White; Stage OB=1; BMI=25.3; Year of Sample Collection=2009; Prog/Relapse by 9/7/11=N SUBJECT_SAMPLE_FACTORS - PN02956 Diagnosis:Breast cancer | Stage:1 Sub-group=-; Clinical_Parameters=55; ER=-; PR=-; HER-2 neu=1; YOB=1938; Age (now)=76; Age (BOD-OD)=72; Race=White; Stage OB=1; BMI=24.3; Year of Sample Collection=2010; Prog/Relapse by 9/7/11=N SUBJECT_SAMPLE_FACTORS - PN01449 Diagnosis:Breast cancer | Stage:3 Sub-group=1; Clinical_Parameters=175; ER=NA; PR=NA; HER-2 neu=NA; YOB=1938; Age (now)=76; Age (BOD-OD)=72; Race=white; Stage OB=3; BMI=NA; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN02212 Diagnosis:Breast cancer | Stage:1 Sub-group=-; Clinical_Parameters=64; ER=1; PR=-; HER-2 neu=-; YOB=1936; Age (now)=78; Age (BOD-OD)=73; Race=White; Stage OB=1; BMI=18.7; Year of Sample Collection=2009; Prog/Relapse by 9/7/11=N SUBJECT_SAMPLE_FACTORS - PN03212 Diagnosis:Breast cancer | Stage:4 Sub-group=-; Clinical_Parameters=61; ER=1; PR=1; HER-2 neu=-; YOB=1937; Age (now)=77; Age (BOD-OD)=73; Race=Black; Stage OB=4; BMI=29.7; Year of Sample Collection=2010; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN03936 Diagnosis:Control | Stage:- Sub-group=3; Clinical_Parameters=30; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=35; Race=L; Stage OB=NA; BMI=NA; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN03938 Diagnosis:Control | Stage:- Sub-group=1; Clinical_Parameters=36; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=34; Race=L; Stage OB=NA; BMI=NA; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN03946 Diagnosis:Control | Stage:- Sub-group=1; Clinical_Parameters=59; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=34; Race=L; Stage OB=NA; BMI=NA; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN03956 Diagnosis:Control | Stage:- Sub-group=1; Clinical_Parameters=85; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=34; Race=C; Stage OB=NA; BMI=NA; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN03968 Diagnosis:Control | Stage:- Sub-group=1; Clinical_Parameters=116; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=34; Race=C; Stage OB=NA; BMI=NA; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN03976 Diagnosis:Control | Stage:- Sub-group=1; Clinical_Parameters=138; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=34; Race=C; Stage OB=NA; BMI=NA; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN03933 Diagnosis:Control | Stage:- Sub-group=4; Clinical_Parameters=22; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=33; Race=L; Stage OB=NA; BMI=NA; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN03940 Diagnosis:Control | Stage:- Sub-group=3; Clinical_Parameters=42; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=33; Race=L; Stage OB=NA; BMI=NA; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN03941 Diagnosis:Control | Stage:- Sub-group=4; Clinical_Parameters=45; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=33; Race=L; Stage OB=NA; BMI=NA; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN03966 Diagnosis:Control | Stage:- Sub-group=3; Clinical_Parameters=111; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=33; Race=C; Stage OB=NA; BMI=NA; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN03975 Diagnosis:Control | Stage:- Sub-group=4; Clinical_Parameters=136; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=33; Race=C; Stage OB=NA; BMI=NA; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN03970 Diagnosis:Control | Stage:- Sub-group=3; Clinical_Parameters=122; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=32; Race=C; Stage OB=NA; BMI=NA; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN03972 Diagnosis:Control | Stage:- Sub-group=1; Clinical_Parameters=128; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=32; Race=C; Stage OB=NA; BMI=NA; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN03926 Diagnosis:Control | Stage:- Sub-group=1; Clinical_Parameters=1; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=31; Race=L; Stage OB=NA; BMI=NA; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN03928 Diagnosis:Control | Stage:- Sub-group=3; Clinical_Parameters=7; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=31; Race=L; Stage OB=NA; BMI=NA; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN03934 Diagnosis:Control | Stage:- Sub-group=1; Clinical_Parameters=24; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=31; Race=L; Stage OB=NA; BMI=NA; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN03935 Diagnosis:Control | Stage:- Sub-group=2; Clinical_Parameters=27; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=31; Race=L; Stage OB=NA; BMI=NA; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN03955 Diagnosis:Control | Stage:- Sub-group=4; Clinical_Parameters=82; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=31; Race=C; Stage OB=NA; BMI=NA; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN03964 Diagnosis:Control | Stage:- Sub-group=1; Clinical_Parameters=105; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=31; Race=C; Stage OB=NA; BMI=NA; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN03965 Diagnosis:Control | Stage:- Sub-group=2; Clinical_Parameters=108; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=31; Race=C; Stage OB=NA; BMI=NA; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN03943 Diagnosis:Control | Stage:- Sub-group=2; Clinical_Parameters=50; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=30; Race=L; Stage OB=NA; BMI=NA; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN03988 Diagnosis:Control | Stage:- Sub-group=4; Clinical_Parameters=171; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=30; Race=C; Stage OB=NA; BMI=NA; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN03990 Diagnosis:Control | Stage:- Sub-group=2; Clinical_Parameters=177; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=30; Race=C; Stage OB=NA; BMI=NA; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN03986 Diagnosis:Control | Stage:- Sub-group=2; Clinical_Parameters=165; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=28; Race=C; Stage OB=NA; BMI=NA; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN03987 Diagnosis:Control | Stage:- Sub-group=3; Clinical_Parameters=168; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=28; Race=C; Stage OB=NA; BMI=NA; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN03998 Diagnosis:Control | Stage:- Sub-group=1; Clinical_Parameters=200; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=27; Race=B; Stage OB=NA; BMI=NA; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN03999 Diagnosis:Control | Stage:- Sub-group=2; Clinical_Parameters=203; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=27; Race=B; Stage OB=NA; BMI=NA; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN03984 Diagnosis:Control | Stage:- Sub-group=1; Clinical_Parameters=160; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=26; Race=C; Stage OB=NA; BMI=NA; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN03950 Diagnosis:Control | Stage:- Sub-group=4; Clinical_Parameters=68; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=25; Race=L; Stage OB=NA; BMI=NA; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN03989 Diagnosis:Control | Stage:- Sub-group=1; Clinical_Parameters=174; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=25; Race=C; Stage OB=NA; BMI=NA; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN03993 Diagnosis:Control | Stage:- Sub-group=1; Clinical_Parameters=185; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=25; Race=C; Stage OB=NA; BMI=NA; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN03995 Diagnosis:Control | Stage:- Sub-group=2; Clinical_Parameters=191; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=25; Race=B; Stage OB=NA; BMI=NA; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN03983 Diagnosis:Control | Stage:- Sub-group=4; Clinical_Parameters=157; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=24; Race=C; Stage OB=NA; BMI=NA; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN03949 Diagnosis:Control | Stage:- Sub-group=3; Clinical_Parameters=65; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=23; Race=L; Stage OB=NA; BMI=NA; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN03952 Diagnosis:Control | Stage:- Sub-group=2; Clinical_Parameters=73; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=23; Race=L; Stage OB=NA; BMI=NA; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN03991 Diagnosis:Control | Stage:- Sub-group=3; Clinical_Parameters=180; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=23; Race=C; Stage OB=NA; BMI=NA; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN03992 Diagnosis:Control | Stage:- Sub-group=4; Clinical_Parameters=183; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=22; Race=C; Stage OB=NA; BMI=NA; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN03948 Diagnosis:Control | Stage:- Sub-group=2; Clinical_Parameters=62; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=21; Race=L; Stage OB=NA; BMI=NA; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN03951 Diagnosis:Control | Stage:- Sub-group=1; Clinical_Parameters=70; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=21; Race=L; Stage OB=NA; BMI=NA; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN03996 Diagnosis:Control | Stage:- Sub-group=3; Clinical_Parameters=194; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=21; Race=B; Stage OB=NA; BMI=NA; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- SUBJECT_SAMPLE_FACTORS - PN03997 Diagnosis:Control | Stage:- Sub-group=4; Clinical_Parameters=197; ER=NA; PR=NA; HER-2 neu=NA; YOB=-; Age (now)=2014; Age (BOD-OD)=21; Race=B; Stage OB=NA; BMI=NA; Year of Sample Collection=-; Prog/Relapse by 9/7/11=- #COLLECTION CO:COLLECTION_SUMMARY city of hope metabolomics profiling data #TREATMENT TR:TREATMENT_SUMMARY No treatment done for these samples #SAMPLEPREP SP:SAMPLEPREP_SUMMARY A 50 µL aliquot of plasma/serum sample was spiked with two internal standard SP:SAMPLEPREP_SUMMARY solutions (10 µl p-chlorophenylalanine in water, 0.1 mg/mL; 10 µL SP:SAMPLEPREP_SUMMARY heptadecanoic acid in methanol, 1 mg/mL). The mixed solution was extracted with SP:SAMPLEPREP_SUMMARY 175 µL of methanol: chloroform (3:1) and vortexed for 30 seconds. After storing SP:SAMPLEPREP_SUMMARY for 10 minutes at –20°C, the samples were centrifuged at 13,000 rpm for 10 SP:SAMPLEPREP_SUMMARY minutes. An aliquot of 200 µL supernatant was transferred to a glass sampling SP:SAMPLEPREP_SUMMARY vial to vacuum dry at room temperature. The residue was derivatized using a SP:SAMPLEPREP_SUMMARY two-step procedure. First, 50 µL methoxyamine (15 mg/mL in pyridine) was added SP:SAMPLEPREP_SUMMARY to the vial and kept at 30°C for 90 minutes. After adding 10 µL C10-C40 (all SP:SAMPLEPREP_SUMMARY even alkanes, 12.5 µg/mL) as retention index, 50 µL N,O-bis-(trimetylsilyl) SP:SAMPLEPREP_SUMMARY trifluoroacetamide (BSTFA) (1% trimethylchlorosilane, TMCS) was added to the SP:SAMPLEPREP_SUMMARY samples, before being derivatized at 70°C for 60 minutes. Each 1 µL aliquot of SP:SAMPLEPREP_SUMMARY the derivatized solution was injected in splitless mode into an Agilent 6890N SP:SAMPLEPREP_SUMMARY gas chromatography coupled with a Pegasus HT time-of-flight mass spectrometry SP:SAMPLEPREP_SUMMARY (Leco Co., St. Joseph, MI, USA). To minimize systematic analytical deviations, SP:SAMPLEPREP_SUMMARY each control sample was separated by 1 or 2 breast cancer samples. Breast cancer SP:SAMPLEPREP_SUMMARY samples from different stages were also run evenly in the whole experiment. SP:SAMPLEPREP_SUMMARY Separation was achieved on an Rxi-5 ms capillary column (Crossbond ® 5% SP:SAMPLEPREP_SUMMARY diphenyl/95% dimethyl polysiloxane, Restek, PA, USA), with helium as the carrier SP:SAMPLEPREP_SUMMARY gas at a constant flow rate of 1.0 mL/min. The temperatures of injection, SP:SAMPLEPREP_SUMMARY transfer interface, and ion source were set to 260, 260, and 210°C, SP:SAMPLEPREP_SUMMARY respectively. The GC temperature programming was set to 2 min isothermal heating SP:SAMPLEPREP_SUMMARY at 80°C, followed by 10°C/min oven temperature ramped to 220°C, 5°C/min to SP:SAMPLEPREP_SUMMARY 240°C, and 25°C/min to 290°C, and a final eight minute maintenance at 290°C. SP:SAMPLEPREP_SUMMARY Electron impact ionization (70 eV) at full scan mode (m/z 40–600) was used, SP:SAMPLEPREP_SUMMARY with an acquisition rate of 20 spectra/second in the TOFMS setting. The data SP:SAMPLEPREP_SUMMARY generated in the GC-TOFMS instrument were analyzed by the ChromaTOF software SP:SAMPLEPREP_SUMMARY (v4.33, Leco Co, CA, USA). Using the statistic component, the aligned comma SP:SAMPLEPREP_SUMMARY separated value (CSV) file can be obtained with sample information, peak SP:SAMPLEPREP_SUMMARY information and peak intensity. Peak areas of unique mass were normalized to the SP:SAMPLEPREP_SUMMARY internal standard. Compound identification was performed by comparing the mass SP:SAMPLEPREP_SUMMARY fragments with NIST 05 Standard mass spectral databases in NIST MS search 2.0 SP:SAMPLEPREP_SUMMARY (NIST,Gaithersburg, MD, USA) software with a similarity of more than 70% and SP:SAMPLEPREP_SUMMARY reference standards (with retention time, or retention index if available in the SP:SAMPLEPREP_SUMMARY library, as another parameter). Internal standards and any known artificial SP:SAMPLEPREP_SUMMARY peaks, such as peaks caused by noise, column bleed and BSTFA derivatization SP:SAMPLEPREP_SUMMARY procedure, were removed from the dataset before statistical analysis. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE GC CH:INSTRUMENT_NAME Agilent 6890N CH:COLUMN_NAME Restek Rtx-5Sil MS (30 x 0.25mm, 0.25um) #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Leco Pegasus HT TOF MS:INSTRUMENT_TYPE GC x GC-TOF MS:MS_TYPE EI MS:ION_MODE POSITIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak Intensity MS_METABOLITE_DATA_START Samples PN00506 PN00032 PN01613 PN01461 PN00516 PN00528 PN00746 PN00529 PN03439 PN00867 PN00515 PN00418 PN00031 PN01144 PN00027 PN00527 PN00862 PN03126 PN01884 PN00414 PN00538 PN02097 PN00888 PN00614-1 PN00038 PN00743 PN00937 PN00036 PN00751 PN01667 PN02200 PN02546 PN00023 PN01001 PN00614-2 PN03929 PN03958 PN03979 PN03980 PN04004 PN04005 PN03927 PN03937 PN03939 PN03953 PN03959 PN03961 PN03967 PN03973 PN03978 PN04002 PN03932 PN03942 PN03944 PN03945 PN03969 PN03974 PN04003 PN03931 PN03960 PN03962 PN04000 PN04001 PN04006 PN04007 PN03957 PN03963 PN03971 PN03977 PN03930 PN00465 PN00936 PN01512 PN01939 PN02018 PN00502 PN00035 PN00037 PN00525 PN02008 PN00416 PN01679 PN01342 PN00502 PN00358 PN00443 PN00468 PN02021 PN00029 PN00693 PN00895 PN00375 PN01932 PN00033 PN00505 PN01196 PN01410 PN00469 PN00030 PN00339 PN00358 PN00861 PN00462 PN02249 PN02675 PN00482 PN00271 PN00436 PN03213 PN03702 PN00427 PN01976 PN00339 PN03568 PN00737 PN02528 PN02261 PN02773 PN00667 PN01262 PN03701 PN00002 PN00941 PN02007 PN03629 PN03756 PN00025 PN02453 PN01055-0001 PN03460 PN03630 PN02619 PN00373 PN00539 PN00848 PN00028 PN00082 PN02118 PN01055-0002 PN02760 PN02917 PN02304 PN00733 PN03046 PN02020 PN02307 PN02394 PN00272 PN00481 PN00333 PN00437 PN00547 PN00919 PN03537 PN02854 PN02110 PN00377 PN01935 PN01321 PN01766-0001.5 PN03438 PN02791 PN01766-0002.6 PN02944 PN03140 PN03579 PN00537 PN02637 PN02523 PN02956 PN01449 PN02212 PN03212 PN03936 PN03938 PN03946 PN03956 PN03968 PN03976 PN03933 PN03940 PN03941 PN03966 PN03975 PN03970 PN03972 PN03926 PN03928 PN03934 PN03935 PN03955 PN03964 PN03965 PN03943 PN03988 PN03990 PN03986 PN03987 PN03998 PN03999 PN03984 PN03950 PN03989 PN03993 PN03995 PN03983 PN03949 PN03952 PN03991 PN03992 PN03948 PN03951 PN03996 PN03997 Factors Diagnosis:Breast cancer | Stage:2 Diagnosis:Breast cancer | Stage:2 Diagnosis:Breast cancer | Stage:3 Diagnosis:Breast cancer | Stage:3 Diagnosis:Breast cancer | Stage:3 Diagnosis:Breast cancer | Stage:3 Diagnosis:Breast cancer | Stage:2 Diagnosis:Breast cancer | Stage:2 Diagnosis:Breast cancer | Stage:4 Diagnosis:Breast cancer | Stage:3 Diagnosis:Breast cancer | Stage:2 Diagnosis:Breast cancer | Stage:3 Diagnosis:Breast cancer | Stage:2 Diagnosis:Breast cancer | Stage:2 Diagnosis:Breast cancer | Stage:3 Diagnosis:Breast cancer | Stage:2 Diagnosis:Breast cancer | Stage:3 Diagnosis:Breast cancer | Stage:4 Diagnosis:Breast cancer | Stage:2 Diagnosis:Breast cancer | Stage:2 Diagnosis:Breast cancer | Stage:2 Diagnosis:Breast cancer | Stage:3 Diagnosis:Breast cancer | Stage:2 Diagnosis:Breast cancer | Stage:3 Diagnosis:Breast cancer | Stage:2 Diagnosis:Breast cancer | Stage:2 Diagnosis:Breast cancer | Stage:2 Diagnosis:Breast cancer | Stage:3 Diagnosis:Breast cancer | Stage:3 Diagnosis:Breast cancer | Stage:3 Diagnosis:Breast cancer | Stage:3 Diagnosis:Breast cancer | Stage:1 Diagnosis:Breast cancer | Stage:2 Diagnosis:Breast cancer | Stage:3 Diagnosis:Breast cancer | Stage:3 Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Breast cancer | Stage:2 Diagnosis:Breast cancer | Stage:2 Diagnosis:Breast cancer | Stage:3 Diagnosis:Breast cancer | Stage:3 Diagnosis:Breast cancer | Stage:2 Diagnosis:Breast cancer | Stage:4 Diagnosis:Breast cancer | Stage:3 Diagnosis:Breast cancer | Stage:3 Diagnosis:Breast cancer | Stage:2 Diagnosis:Breast cancer | Stage:2 Diagnosis:Breast cancer | Stage:3 Diagnosis:Breast cancer | Stage:3 Diagnosis:Breast cancer | Stage:2 Diagnosis:Breast cancer | Stage:4 Diagnosis:Breast cancer | Stage:4 Diagnosis:Breast cancer | Stage:2 Diagnosis:Breast cancer | Stage:2 Diagnosis:Breast cancer | Stage:2 Diagnosis:Breast cancer | Stage:2 Diagnosis:Breast cancer | Stage:2 Diagnosis:Breast cancer | Stage:2 Diagnosis:Breast cancer | Stage:3 Diagnosis:Breast cancer | Stage:3 Diagnosis:Breast cancer | Stage:2 Diagnosis:Breast cancer | Stage:2 Diagnosis:Breast cancer | Stage:2 Diagnosis:Breast cancer | Stage:2 Diagnosis:Breast cancer | Stage:3 Diagnosis:Breast cancer | Stage:3 Diagnosis:Breast cancer | Stage:4 Diagnosis:Breast cancer | Stage:4 Diagnosis:Breast cancer | Stage:2 Diagnosis:Breast cancer | Stage:3 Diagnosis:Breast cancer | Stage:3 Diagnosis:Breast cancer | Stage:4 Diagnosis:Breast cancer | Stage:2 Diagnosis:Breast cancer | Stage:3 Diagnosis:Breast cancer | Stage:3 Diagnosis:Breast cancer | Stage:4 Diagnosis:Breast cancer | Stage:4 Diagnosis:Breast cancer | Stage:2 Diagnosis:Breast cancer | Stage:3 Diagnosis:Breast cancer | Stage:4 Diagnosis:Breast cancer | Stage:4 Diagnosis:Breast cancer | Stage:2 Diagnosis:Breast cancer | Stage:1 Diagnosis:Breast cancer | Stage:1 Diagnosis:Breast cancer | Stage:1 Diagnosis:Breast cancer | Stage:3 Diagnosis:Breast cancer | Stage:3 Diagnosis:Breast cancer | Stage:4 Diagnosis:Breast cancer | Stage:3 Diagnosis:Breast cancer | Stage:3 Diagnosis:Breast cancer | Stage:3 Diagnosis:Breast cancer | Stage:4 Diagnosis:Breast cancer | Stage:4 Diagnosis:Breast cancer | Stage:2 Diagnosis:Breast cancer | Stage:1 Diagnosis:Breast cancer | Stage:3 Diagnosis:Breast cancer | Stage:4 Diagnosis:Breast cancer | Stage:4 Diagnosis:Breast cancer | Stage:1 Diagnosis:Breast cancer | Stage:2 Diagnosis:Breast cancer | Stage:2 Diagnosis:Breast cancer | Stage:2 Diagnosis:Breast cancer | Stage:3 Diagnosis:Breast cancer | Stage:3 Diagnosis:Breast cancer | Stage:2 Diagnosis:Breast cancer | Stage:3 Diagnosis:Breast cancer | Stage:1 Diagnosis:Breast cancer | Stage:1 Diagnosis:Breast cancer | Stage:2 Diagnosis:Breast cancer | Stage:3 Diagnosis:Breast cancer | Stage:4 Diagnosis:Breast cancer | Stage:1 Diagnosis:Breast cancer | Stage:1 Diagnosis:Breast cancer | Stage:1 Diagnosis:Breast cancer | Stage:2 Diagnosis:Breast cancer | Stage:2 Diagnosis:Breast cancer | Stage:3 Diagnosis:Breast cancer | Stage:3 Diagnosis:Breast cancer | Stage:2 Diagnosis:Breast cancer | Stage:2 Diagnosis:Breast cancer | Stage:4 Diagnosis:Breast cancer | Stage:1 Diagnosis:Breast cancer | Stage:2 Diagnosis:Breast cancer | Stage:3 Diagnosis:Breast cancer | Stage:1 Diagnosis:Breast cancer | Stage:2 Diagnosis:Breast cancer | Stage:3 Diagnosis:Breast cancer | Stage:4 Diagnosis:Breast cancer | Stage:1 Diagnosis:Breast cancer | Stage:3 Diagnosis:Breast cancer | Stage:1 Diagnosis:Breast cancer | Stage:4 Diagnosis:Breast cancer | Stage:4 Diagnosis:Breast cancer | Stage:2 Diagnosis:Breast cancer | Stage:1 Diagnosis:Breast cancer | Stage:1 Diagnosis:Breast cancer | Stage:1 Diagnosis:Breast cancer | Stage:3 Diagnosis:Breast cancer | Stage:1 Diagnosis:Breast cancer | Stage:4 Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Diagnosis:Control | Stage:- Asparagine 0.092115189 0.099736698 0.082640391 0.134503394 0.130460626 0.103825724 0.048706131 0.075157481 0.065033147 0.117209277 0.105967027 0.062659417 0.06946547 0.073319703 0.127724518 0.08105723 0.114060456 0.091261267 0.070719007 0.162370901 0.106190483 0.083758315 0.100005107 0.090254379 0.094980482 0.08003005 0.091996206 0.127278235 0.127899019 0.095236717 0.07749328 0.131967013 0.10461924 0.115508135 0.087209894 0.03042087 0.021714209 0.029010102 0.045492402 0.030316785 0.02004964 0.043062066 0.066480021 0.056763994 0.019984137 0.052792956 0.010625422 0.045065634 0.023963784 0.080795847 0.03272699 0.03362568 0.053023645 0.057727732 0.076222833 0.055542132 0.056366711 0.044071893 0.02183018 0.052671453 0.017957612 0.019747122 0.023126792 0.037850307 0.039266232 0.048744172 0.014107272 0.035380119 0.032060919 0.024141689 0.066420158 0.087872142 0.090357607 0.09172554 0.056517542 0.150790607 0.106407228 0.049178644 0.085501427 0.116333129 0.077543261 0.058157128 0.080028836 0.127791153 0.08066382 0.139184518 0.075076453 0.064447202 0.082725172 0.08217769 0.106673236 0.097621285 0.068514776 0.068569656 0.076762706 0.121248554 0.087385599 0.12008198 0.091632963 0.120710092 0.011666063 0.093679639 0.142015239 0.077796028 0.106311189 0.214507256 0.111137922 0.123802246 0.100798381 0.084022832 0.105680854 0.098768731 0.146855972 0.047163576 0.06006183 0.084400942 0.071862684 0.076240173 0.058937458 0.104591779 0.042193043 0.095727796 0.05128523 0.076554344 0.046450687 0.090245489 0.09396176 0.108977481 0.0887182 0.082703024 0.103917995 0.078463301 0.108741143 0.126082816 0.080252551 0.078793207 0.063249001 0.065200733 0.102131246 0.042027769 0.098611122 0.09199298 0.072774576 0.075790241 0.080973619 0.050527283 0.100245187 0.146985957 0.08942386 0.137831945 0.109456156 0.068259779 0.125319149 0.08552933 0.068220355 0.057271868 0.077373893 0.048373788 0.081085119 0.147553567 0.114149302 0.073262333 0.085224355 0.096574429 0.083695273 0.127992957 0.060938919 0.111006447 0.077289568 0.111162942 0.058640059 0.071088663 0.10083752 0.068970495 0.052984637 0.065245655 0.009189408 0.062990157 0.045120987 0.082291939 0.052385688 0.080423737 0.023708808 0.057716449 0.028140729 0.078430953 0.019804801 0.026005495 0.027387767 0.007216052 0.006184974 0.005087777 0.061655061 0.064111257 0.005543458 0.048521844 0.021312702 0.016447036 0.020749066 0.040019417 0.016798474 0.008006829 0.02875342 0.045533378 0.015512856 0.031181367 0.157979413 0.014754409 0.002943825 0.063623485 0.024439902 0.038214294 0.016473851 0.021554252 Hypotaurine 0.015607552 0.009799671 0.00590909 0.009018359 0.008726064 0.015073054 0.008073503 0.00961388 0.007918476 0.010978374 0.01345904 0.004083929 0.004185708 0.00748987 0.001900872 0.011871774 0.011971687 0.009958656 0.010320432 0.012642059 0.012386069 0.010992073 0.014500997 0.009716968 0.009026802 0.005956434 0.010132251 0.007178509 0.009741997 0.009895325 0.01083513 0.001562003 0.003982642 0.010828371 0.007193919 0.000135953 0.004040128 0.000960159 0.001440627 0.000633076 0.001911583 9.74698E-05 0.005111529 0.005796281 0.000606029 0.004208075 0.000145794 0.003797325 0.00216361 0.005694058 0.000382706 0.002648046 0.001802071 0.003073622 0.005859168 0.006209576 0.003684753 0.006463459 0.000429481 0.006162873 0.000123979 0.00269262 0.001301822 0.002760393 0.003282832 0.002784207 0.000410554 0.004334462 0.002046692 0.000311605 0.009360452 0.011681878 0.009593641 0.012786071 0.009292804 0.012685272 0.00746773 0.003644659 0.007935763 0.013109469 0.008339286 0.007239906 0.008783086 0.020544169 0.006969275 0.013185075 0.007650673 0.002288469 0.001114289 0.007792479 0.010660829 0.038246994 0.004094464 0.002893312 0.006196305 0.014415073 0.009642809 0.007415137 0.004177775 0.009438651 0.000750464 0.004708687 0.013552535 0.007659449 0.007004706 0.02289005 0.007071848 0.015920215 0.008524122 0.006110836 0.010959115 0.009038715 0.003014972 0.007685487 0.006337838 0.005414042 0.00613604 0.0077793 0.003047948 0.010210497 0.004373768 0.001033497 0.005163986 0.008434416 0.005413853 0.005179389 0.00035338 0.012009938 0.011912499 0.007659572 0.00507154 0.005001222 0.007375313 0.013602199 0.010910461 0.00284137 0.006347108 0.009284511 0.011872209 0.006799672 0.012578241 0.009597956 0.006609363 0.008592521 0.006578366 0.007593737 0.006636621 0.007047415 0.007286971 0.009418108 0.010317515 0.008352444 0.003208361 0.012393575 0.005749651 0.006802496 0.010846051 0.003939686 0.003425733 0.012735779 0.011033833 0.006344756 0.008044376 0.012590553 9.56994E-05 0.015733315 0.009932207 0.018525602 0.009613934 0.010200074 0.008620535 0.010149039 0.006148657 0.008799458 0.004214075 0.005893833 0.000178217 0.005354549 0.005853391 0.005060024 0.003214537 0.006808267 0.000382168 0.006941499 0.002336528 0.000778065 0.000427294 0.000251395 0.000517023 0.00013446 0.00024585 0.000145246 0.001343488 0.00025941 0.000166076 0.003882323 0.00018375 0.000104565 0.000475864 0.000966024 0.000334728 0.000857273 0.000250276 0.006965334 0.00086796 0.003367243 0.014913302 0.000219584 0.000107947 0.000420573 0.001107273 0.002449244 0.00087174 0.001307991 5-Oxoproline 1.438458152 0.658859497 0.964389315 1.126860948 1.154612426 1.52266276 1.039786917 1.071438984 1.257897324 1.645905618 0.995875581 1.421149746 1.792218169 0.934030717 1.412562465 0.976139892 1.43146541 1.156515027 0.873291681 0.964595333 1.052263216 0.9542001 1.064378363 1.358745481 1.138319887 1.429481237 0.98383569 1.482218024 1.14137796 1.007749019 0.956376109 1.895474985 1.467958429 1.941538681 1.319180446 3.084114894 2.384149265 3.386666922 4.470348209 3.049069297 1.820017997 2.851695179 1.581124861 2.112287931 4.172307113 2.900405041 3.216540739 2.07384491 1.820380073 2.821820706 2.792618793 5.130100117 2.207973801 1.512019074 2.279693227 1.611643095 2.343162123 3.742485529 3.361040293 3.560877591 4.266952514 2.38101072 2.018419413 2.29499688 1.565873171 3.437092445 4.051473379 1.675558841 1.525995864 3.607281846 1.30658814 1.401679574 1.223372579 0.959227211 0.799670488 1.068700143 1.185390867 1.198954807 0.962007327 0.999698918 0.986731176 0.780368806 0.88549214 1.76123897 1.124440539 1.137586965 1.724105348 1.548977398 1.72898876 1.207230045 1.273015837 1.009790053 1.006264843 1.180263311 1.393839324 1.644995673 1.10727909 1.395234096 1.442968715 1.637572058 0.325398395 1.423501656 1.174141465 1.026517418 1.533630045 1.224082702 1.428631189 1.304113878 1.33933235 1.858680974 1.432074775 1.260921736 2.658417271 1.110750245 1.48760539 1.37557119 1.130546284 1.728462272 0.956363529 1.253931024 1.509139519 1.868412051 1.142192189 1.259897649 1.167795915 1.673035279 1.360968934 1.592405807 1.364448863 1.670705051 1.727288143 1.906874895 1.766184157 1.933423177 1.17281804 1.153504547 1.121309608 1.029280245 1.326239995 1.1371617 1.195386264 1.448735857 3.022665161 1.755011074 1.276445475 1.240465483 1.901593515 1.320624874 1.250199141 1.675202236 1.793732183 1.847313437 1.945086134 1.853633665 1.101774571 1.350180575 0.955030196 0.571605498 1.493028318 1.403826799 2.488725246 1.298655341 1.258840072 1.159321951 1.892466086 1.859758364 1.094081814 1.375442901 1.154264764 1.34696309 1.222792033 1.271859345 2.333593268 1.527490167 2.42418253 1.857772675 4.640520404 1.625721375 2.551912568 1.086062412 1.531922793 2.290088262 5.030494535 1.664803687 1.546320657 2.764631235 1.289515441 2.260315606 2.967179693 2.67443478 3.494846321 5.130276824 7.582055531 6.274883421 5.661375835 7.107173372 4.469003803 5.150551059 4.608857096 2.812726325 2.172198201 3.076184742 4.34160482 2.436332063 2.80045076 2.847294992 1.120824862 3.567983266 2.622379577 4.751089183 3.595015524 2.651938663 4.199751809 3.585407806 Cysteine 0.095450456 0.106774369 0.045262469 0.095057232 0.10821156 0.10142434 0.097845391 0.118179813 0.138481839 0.105985889 0.092303267 0.087402589 0.111590736 0.087551461 0.066112891 0.101684062 0.106853262 0.068840716 0.098992259 0.079544408 0.091290452 0.081524311 0.101163469 0.092946057 0.079088303 0.083340264 0.065810944 0.085402428 0.078050488 0.091175845 0.064346376 0.155051322 0.07586154 0.083524133 0.15214479 0.053887243 0.044274582 0.045172485 0.05776955 0.028922791 0.031046577 0.077134927 0.098633792 0.062362949 0.049221383 0.062832624 0.047676472 0.079288928 0.054761052 0.069540471 0.050384627 0.054785163 0.084189995 0.070541116 0.081817051 0.040845473 0.057647076 0.037157246 0.020213831 0.065755354 0.051378327 0.028355253 0.040742711 0.051723329 0.021469962 0.084690513 0.035748704 0.050213804 0.045857997 0.04576682 0.097327546 0.115631229 0.113324228 0.067295103 0.106575105 0.122107626 0.110468283 0.083316588 0.096848832 0.079046834 0.112203008 0.082582713 0.106558563 0.104456363 0.125125232 0.096756184 0.104720264 0.067198279 0.119448319 0.080381682 0.181152234 0.08206766 0.061885212 0.072324677 0.11445047 0.086463181 0.096339912 0.109355933 0.081211561 0.098312948 0.015165588 0.088050786 0.076722068 0.077052076 0.086389208 0.11273922 0.076169617 0.081812999 0.087300427 0.048326584 0.123303655 0.091776868 0.087226591 0.0796977 0.099648567 0.077682687 0.065159114 0.100355409 0.100740417 0.118881113 0.083116751 0.114804951 0.126278794 0.154532817 0.115415001 0.063988435 0.073041066 0.114412793 0.122704667 0.16826529 0.076271171 0.136762659 0.196276403 0.11131299 0.08930686 0.089610159 0.074374442 0.058092657 0.124165714 0.125029533 0.094572733 0.081876882 0.092458813 0.068642563 0.122356434 0.064398364 0.132679555 0.058216492 0.099159456 0.094082666 0.154658783 0.165236024 0.146668028 0.108227483 0.069584218 0.123411951 0.070697474 0.05485801 0.109993491 0.138602061 0.104630694 0.124900019 0.135194042 0.093650261 0.111682817 0.126262151 0.143001161 0.139118611 0.060453297 0.107432734 0.144670188 0.095065423 0.121150322 0.057410668 0.092161848 0.065178126 0.058461244 0.115931177 0.090304375 0.083562976 0.042883813 0.068936455 0.032431435 0.071552684 0.079217965 0.069832193 0.040575323 0.0462018 0.034459449 0.053539256 0.027228186 0.038615749 0.107614772 0.071525386 0.04000627 0.087307237 0.035411889 0.030847653 0.025512717 0.038063826 0.018634931 0.031226699 0.046532128 0.08825356 0.027416958 0.033113927 0.130003578 0.036633287 0.017978257 0.029455443 0.052190299 0.026636887 0.046958542 0.041478662 Aspartate 0.058621257 0.026431417 0.033480403 0.057921953 0.042425354 0.049576163 0.033669228 0.043586804 0.045790791 0.049942485 0.034255436 0.060988886 0.053733368 0.034662437 0.038807477 0.029688618 0.063111142 0.047212426 0.029930633 0.036492465 0.030093528 0.050074552 0.040924219 0.05753746 0.041197482 0.044153314 0.034449575 0.031627709 0.032738463 0.03992408 0.037365452 0.047714308 0.022325193 0.060755596 0.044650542 0.142405002 0.088634731 0.104169432 0.228038429 0.184717931 0.102755582 0.149448229 0.108620666 0.140228169 0.329170131 0.151823157 0.06469251 0.123358382 0.090274913 0.185644924 0.163490052 0.426061276 0.096139347 0.094101521 0.132264315 0.06743559 0.102168693 0.218499907 0.385128935 0.223497932 0.108211918 0.180100909 0.119738051 0.117925698 0.156105234 0.165768784 0.14334189 0.097250242 0.127815131 0.336715067 0.052117715 0.05319537 0.059797105 0.038687004 0.037157247 0.043203893 0.029332785 0.035376488 0.03066016 0.03743127 0.031331383 0.038460132 0.026894411 0.075678724 0.034359828 0.04567785 0.084894369 0.043597815 0.038102528 0.040857407 0.043167745 0.046878585 0.050520345 0.019454277 0.044495686 0.067045421 0.041366369 0.056070282 0.02258385 0.032740342 0.007262291 0.039783407 0.040051082 0.037781584 0.053961665 0.066944141 0.036857302 0.047128464 0.049544326 0.076504943 2.386348414 0.040744897 0.070923402 0.024569225 0.063702332 0.035910581 0.035564122 0.046752769 0.030454921 0.047799119 0.051663616 0.041593006 0.04476538 0.050563061 0.059631262 0.059475981 0.022723006 0.050193065 0.047260889 0.053353451 0.060306074 0.04690025 0.052549535 0.050835311 0.028739334 0.036410173 0.02532471 0.036331884 0.053493792 0.032162645 0.046070044 0.063767758 0.07749133 0.056375348 0.048514372 0.041059556 0.0968991 0.046281294 0.046764099 0.039623444 0.065095176 0.056721959 0.055583921 0.0713565 0.03485739 0.063235422 0.04668704 0.015079909 0.053505533 0.067721077 0.083601619 0.049730969 0.041552356 0.034760765 0.043254986 0.070548189 0.04223985 0.039262101 0.034320364 0.042355088 0.044779892 0.035901492 0.118637811 0.096229145 0.176691125 0.065177358 0.159079311 0.062540862 0.192041699 0.033976709 0.106736219 0.08326009 0.181980899 0.123174606 0.051255111 0.090183942 0.057026644 0.079607153 0.092019677 0.182519054 0.125286237 0.491107824 0.403667102 0.205917818 0.503788953 0.351769748 0.268601235 0.102767385 0.324893312 0.109975315 0.102971667 0.296227765 0.393396632 0.203001759 0.321046847 0.18343729 0.047400029 0.108076176 0.109952225 0.339463711 0.323628736 0.227123204 0.410201508 0.251843906 Glycerolphosphate 0.013007384 0.012061316 0.026729726 0.023502209 0.010585494 0.008734067 0.01202497 0.011338022 0.016460806 0.011976764 0.008405599 0.02237557 0.01609233 0.015115361 0.028436084 0.00988525 0.009594525 0.01587918 0.017356104 0.015059955 0.010010078 0.013971129 0.007955375 0.01514472 0.016804691 0.008985751 0.012838274 0.035204019 0.011174561 0.01884747 0.012872557 0.038124236 0.021685593 0.017855066 0.013090305 0.084705403 0.074926064 0.164576775 0.227380162 0.176800649 0.128909235 0.106639543 0.032603129 0.05070723 0.129590532 0.084486437 0.32955848 0.07071297 0.125590436 0.068683156 0.101271453 0.079208144 0.049528916 0.042794783 0.056762702 0.030215897 0.054832207 0.183981679 0.128902933 0.187221512 0.134288126 0.147707693 0.114250114 0.088041747 0.049351407 0.122205193 0.294821444 0.03639363 0.075500801 0.058958487 0.011541683 0.013070125 0.025008705 0.015079342 0.011655195 0.01946657 0.020519882 0.020487665 0.01168491 0.013327391 0.015160981 0.015279008 0.010753054 0.021592526 0.019616173 0.014424157 0.021571586 0.015815196 0.023800398 0.01049809 0.011786947 0.019824371 0.008973966 0.02582791 0.014368298 0.011836653 0.008743278 0.012132252 0.022619966 0.015337396 0.003869462 0.008949322 0.019995991 0.015141102 0.017247878 0.020347848 0.01718003 0.019191837 0.022312536 0.020692487 0.020515253 0.022197534 0.015459769 0.00870598 0.015074269 0.011746534 0.022911899 0.0121581 0.015817327 0.017326194 0.016957298 0.032114993 0.014167683 0.016642207 0.013677687 0.01824383 0.048451292 0.018641722 0.018810934 0.012972181 0.013751967 0.028329005 0.026247287 0.011498932 0.011895949 0.01616346 0.016848454 0.009019637 0.011672803 0.014616032 0.015397555 0.019269177 0.00965861 0.012527762 0.01995663 0.011743436 0.01731257 0.022171245 0.018038045 0.018885842 0.014514301 0.008878868 0.021321959 0.022541633 0.017203821 0.017115336 0.010614584 0.009840699 0.008751876 0.006659826 0.020442473 0.029890082 0.016379626 0.015260666 0.043430719 0.019980262 0.014518465 0.016315458 0.01503199 0.016058044 0.01174743 0.013178314 0.011563266 0.025113515 0.083407981 0.060293015 0.301918566 0.029886982 0.086577759 0.013631643 0.2138478 0.097031839 0.177765644 0.288266476 0.045575409 0.0270139 0.030532895 0.05755 0.101631739 0.048951208 0.330390671 0.167497444 0.074413628 0.187511988 0.201056808 0.074372032 0.092442176 0.1342281 0.113013601 0.114101581 0.059737352 0.041808406 0.329921575 0.135382109 0.084833846 0.158991109 0.019144667 0.140354441 0.247984968 0.072674753 0.101880848 0.143653329 0.106434528 0.11173339 Glutamate 0.085973286 0.039578233 0.064365604 0.126642158 0.057912419 0.125641101 0.183329511 0.123191869 0.138905683 0.140851211 0.059176 0.305377927 0.247802337 0.068185731 0.123604726 0.051618328 0.199696121 0.185302077 0.088990028 0.043878134 0.05679889 0.147101603 0.097671123 0.237553896 0.14875506 0.220805315 0.068131541 0.106231012 0.0489143 0.060839461 0.109912501 0.184437504 0.065862681 0.20693597 0.143092159 1.049327702 0.623272596 0.529991131 0.844070405 1.057856498 0.452529492 0.584483564 0.228766518 0.323084047 1.599593182 0.367726063 2.0785661 0.331228007 0.458835858 0.423219357 0.656112576 1.967082371 0.652730861 0.259188264 0.355955018 0.221950959 0.570944729 1.785007836 1.154433129 0.664441575 1.698219436 0.508817466 0.52702722 0.854122981 0.416539912 0.88748875 0.609035657 0.188513042 0.239132091 1.209459202 0.105357187 0.140542624 0.173022232 0.070097006 0.065970239 0.087881624 0.077215875 0.196880772 0.057856604 0.073826134 0.082330737 0.052132505 0.047271664 0.261522842 0.075543627 0.060647615 0.35810815 0.18105997 0.299728946 0.258430625 0.06302291 0.101019165 0.147278183 0.121357323 0.138866741 0.200949836 0.12179166 0.195198927 0.078192529 0.064039318 0.034423662 0.24637803 0.098075341 0.125714846 0.240123333 0.163629863 0.100865023 0.129676657 0.188616739 0.312904168 0.140107047 0.067600549 0.302994458 0.1254671 0.430386987 0.06969591 0.099189613 0.362308981 0.118658493 0.084714821 0.387750122 0.208465826 0.160750625 0.14322544 0.179288543 0.229332087 0.061711374 0.204867558 0.154631692 0.185088389 0.182818966 0.252822881 0.150376869 0.235323247 0.041816577 0.092791758 0.102963797 0.135604503 0.081747212 0.085752956 0.08576537 0.190628888 0.361487139 0.415915635 0.135620958 0.138911374 0.434321974 0.12662549 0.103211989 0.105605252 0.126360834 0.349923788 0.191225877 0.315733046 0.118879925 0.200025234 0.152300808 0.03972831 0.112179054 0.203886333 0.386062845 0.198930766 0.163387149 0.094238878 0.251356573 0.37025896 0.159629638 0.114015565 0.157007535 0.14539036 0.168786192 0.098081765 0.355149596 0.261545257 0.522725015 0.357153573 2.402337875 0.230513701 0.529540959 0.113682914 0.19129363 0.423249326 1.4516274 0.232929279 0.252568428 0.510436436 0.207760739 0.440046035 0.658393925 1.081620816 0.91203835 2.246726292 3.418729971 1.556195668 2.252917016 3.04683855 1.368176245 1.571073817 2.397166889 0.555685064 0.357458432 1.41699144 0.661844675 0.953023593 1.272740474 0.753327569 0.076403085 1.161811988 0.730672972 2.477817909 1.385152688 0.623758801 2.187194151 2.377308922 Arachidonic acid 0.008484512 0.007122064 0.020660278 0.005795836 0.009721599 0.009179078 0.009815205 0.013032761 0.012104233 0.009341416 0.007314207 0.02329416 0.026622029 0.017963978 0.019607969 0.013569264 0.007561359 0.012430485 0.007977274 0.008773871 0.01162564 0.007918786 0.008167634 0.01495738 0.016281117 0.012298882 0.014197526 0.011885833 0.011827311 0.013026527 0.008286617 0.025588248 0.01611453 0.017334355 0.010362852 0.032028855 0.024296275 0.022722622 0.062616228 0.039941998 0.027758367 0.023642009 0.011136229 0.020683087 0.029744742 0.024136998 0.111069763 0.016928913 0.020444499 0.025773072 0.030663217 0.026713029 0.035571191 0.013920857 0.0160301 0.023432108 0.035713768 0.028167755 0.014323334 0.047934073 0.045553656 0.02456482 0.016933538 0.021105975 0.018685474 0.02610461 0.070862522 0.01682717 0.016640137 0.018775512 0.010119456 0.005782089 0.01079203 0.008166425 0.010595212 0.015234133 0.016851672 0.015126791 0.007520568 0.008710193 0.011607925 0.008577822 0.007574735 0.027257937 0.014694685 0.011342882 0.021200798 0.008705854 0.017762492 0.009073234 0.014260865 0.009725764 0.007407066 0.013171193 0.017330945 0.008798396 0.006973593 0.010846958 0.009224415 0.014286747 0.00168639 0.009959952 0.014791043 0.01050527 0.019592311 0.00878746 0.01449161 0.007037286 0.011642627 0.016904464 0.007462102 0.00952231 0.014769644 0.008671367 0.02747509 0.010032497 0.020050783 0.019235709 0.009945926 0.0097026 0.012189206 0.02045019 0.017123384 0.011619428 0.007653442 0.012778353 0.015557612 0.032198593 0.016118036 0.011032882 0.004591559 0.018387537 0.023927282 0.013715519 0.013022569 0.012960069 0.011587228 0.005803539 0.015028947 0.013239486 0.013637246 0.013144465 0.009945168 0.014719868 0.012853739 0.014080593 0.011971162 0.019260406 0.009674186 0.012520603 0.019969435 0.011949574 0.018207838 0.015765799 0.009239661 0.010482525 0.006290643 0.006127125 0.013223766 0.007127116 0.011824225 0.012947594 0.010699585 0.009620978 0.028862912 0.011006562 0.013031587 0.008850394 0.009969535 0.011118336 0.007870755 0.007831888 0.006903774 0.014942356 0.020885557 0.025779407 0.05139528 0.016382063 0.021122706 0.011927171 0.028095121 0.032297447 0.049394908 0.02655126 0.01383237 0.025177247 0.01043641 0.025188384 0.028094757 0.016611729 0.045009076 0.019081974 0.016543151 0.060610901 0.019557615 0.015672659 0.025390385 0.04967766 0.020938531 0.02371687 0.026435296 0.017003879 0.023557568 0.02000212 0.01872397 0.025515984 0.011368929 0.047748815 0.02865368 0.026024596 0.010729216 0.023023554 0.032471567 0.038229844 Cystine 0.02926818 0.020814523 0.019729545 0.03462917 0.049263604 0.040892431 0.029916094 0.068750492 0.040360305 0.062938454 0.032459618 0.038838684 0.058447742 0.032971877 0.043427322 0.057300214 0.084965037 0.038919464 0.041402443 0.056372116 0.051295504 0.05458374 0.088319551 0.049677071 0.046166282 0.074757287 0.049522038 0.038184959 0.027282641 0.037768526 0.019070567 0.092957697 0.038614611 0.068029451 0.065812958 0.025583525 0.027162107 0.024118187 0.051646981 0.024676832 0.022340743 0.026408972 0.056250605 0.033582055 0.024321659 0.033711699 0.025482806 0.033365811 0.018243749 0.041223416 0.040145286 0.026156136 0.047775556 0.042750149 0.042154707 0.024530073 0.041796073 0.020622683 0.01063564 0.032446392 0.03460171 0.027571857 0.031956924 0.027640768 0.011311351 0.057251926 0.024656022 0.026081939 0.032797029 0.018972249 0.035101605 0.026559821 0.037020012 0.043189904 0.040716531 0.048861274 0.081369438 0.049071407 0.046124104 0.059815118 0.048254193 0.039456883 0.038390513 0.034740429 0.083778667 0.063275024 0.054813844 0.03899564 0.066551874 0.042574033 0.061088177 0.034702605 0.034818343 0.039055714 0.097438336 0.04329709 0.070506117 0.071537527 0.048887384 0.045394207 0.007134333 0.104795292 0.040179554 0.036426492 0.128955778 0.055330343 0.058012034 0.052883288 0.031103164 0.029578299 0.073426313 0.082968865 0.075222884 0.045867108 0.088423785 0.041376034 0.043186983 0.065279234 0.085525299 0.077754637 0.04509963 0.064407328 0.07724966 0.065986373 0.073932603 0.038969853 0.041202965 0.097785044 0.054909899 0.123454161 0.061450965 0.07372577 0.139416795 0.057726362 0.085915468 0.092799341 0.06269876 0.057250554 0.080629912 0.046865752 0.053006953 0.04843062 0.08848819 0.028920837 0.083218683 0.044190967 0.095851965 0.037519302 0.054036227 0.08693689 0.081373992 0.095721563 0.072401954 0.098077195 0.03127411 0.03353985 0.046709516 0.029611316 0.056352646 0.090976619 0.056057637 0.040218803 0.138474113 0.049263012 0.063617446 0.081111881 0.050043733 0.07392993 0.039256776 0.068713583 0.092865851 0.07231876 0.063447768 0.023056108 0.036993438 0.031598273 0.018623186 0.030396143 0.041553436 0.056623177 0.026595791 0.03431188 0.025315495 0.04590707 0.034973931 0.029683517 0.011325512 0.015130205 0.021467172 0.013547864 0.020103728 0.021686214 0.036785125 0.04342578 0.023423411 0.023128352 0.014650774 0.03289711 0.013523814 0.022420152 0.017750908 0.023918791 0.046939957 0.012439126 0.01194533 0.046090331 0.077189014 0.027462195 0.017338471 0.006113061 0.025092385 0.025589055 0.006826536 0.015371296 Glyoxylic acid 0.032392894 0.037331976 0.053052335 0.077511031 0.036008867 0.035424439 0.024590444 0.030601963 0.044312813 0.078725795 0.040054897 0.038509421 0.058001842 0.040659777 0.053123169 0.033320151 0.050973564 0.034945617 0.026964047 0.073018674 0.031375502 0.196648445 0.028665631 0.060458491 0.040145057 0.044887332 0.062910348 0.051470543 0.034899645 0.073368985 0.032212989 0.068830806 0.081440328 0.056704727 0.040799139 0.037760707 0.017516647 0.035193855 0.057842852 0.041540596 0.020749461 0.019367686 0.022510324 0.02290271 0.019827449 0.022146289 0.02207188 0.027033361 0.024922677 0.084945589 0.027986058 0.029985439 0.030108925 0.02419508 0.03551799 0.024654859 0.056269261 0.017988008 0.016265467 0.018244845 0.026232342 0.019244102 0.022176227 0.017200543 0.055182897 0.019701405 0.023057171 0.024073266 0.044524127 0.018194361 0.06239021 0.033564867 0.02507253 0.033804023 0.023765722 0.095026161 0.062261208 0.049350491 0.04097639 0.063310318 0.034501694 0.034103683 0.039143716 0.032309086 0.02922795 0.036580964 0.043503793 0.068488649 0.041702717 0.036247359 0.033014852 0.052009074 0.050538713 0.087454388 0.046609862 0.116136868 0.094140394 0.052913502 0.106044288 0.0418923 0.006245432 0.042783125 0.078343077 0.034968079 0.045225171 0.071314765 0.079326325 0.072704634 0.037498024 0.036366032 0.049668698 0.039917476 0.062623551 0.02435162 0.037760027 0.036836649 0.039761432 0.041013198 0.039026873 0.080102911 0.061752733 0.062812141 0.066614477 0.030936708 0.035779926 0.072883058 0.085902307 0.09676496 0.042874389 0.026166045 0.089828445 0.055528394 0.062189572 0.032418004 0.041032379 0.039159224 0.063007755 0.036707397 0.051152008 0.033789089 0.040654518 0.039669563 0.049042801 0.033554798 0.155953314 0.046351258 0.106075989 0.064231067 0.054819421 0.106189065 0.02740236 0.033099461 0.096738595 0.058514476 0.052087355 0.044518139 0.105859229 0.020995337 0.082276221 0.048910443 0.055006977 0.041692 0.029771157 0.047943247 0.046937036 0.037219326 0.029822267 0.038472456 0.041235486 0.035578535 0.055116703 0.027995732 0.189273266 0.028109114 0.02856928 0.037187926 0.030438817 0.019866047 0.03569588 0.022694915 0.041923253 0.0377526 0.019656029 0.049552477 0.023829836 0.026420082 0.02974478 0.025566295 0.027571597 0.021574482 0.026466178 0.017442995 0.030782654 0.033254601 0.034014726 0.032491516 0.01987019 0.090816309 0.040554148 0.019157872 0.029087747 0.023130608 0.027048408 0.035706066 0.039504412 0.033694839 0.076019671 0.027674914 0.024019494 0.044872279 0.020078727 0.030329557 0.0319108 0.099590173 Lactate 54.50413358 77.22909559 35.85561318 48.24189161 28.77206009 84.24816062 48.22909513 46.9647806 37.33004605 82.07327348 42.29176775 45.95050832 53.15518152 48.28203277 18.4072158 29.68278732 53.63161101 39.4640137 33.11731716 44.37224168 31.71048828 56.65989535 22.0251415 41.940995 21.15276248 29.65012488 26.84595552 50.91935889 83.44318661 18.55264186 32.28058834 65.87398266 60.98944527 36.5741673 39.25257145 20.65586354 60.44833891 231.7875638 171.4278635 108.3108016 77.39330557 52.84723409 41.74390097 97.48904411 45.82615412 34.49998803 180.4229191 29.43155599 24.14156296 226.3913556 19.95910634 108.5065699 103.914555 105.8635133 243.7937319 175.9565796 126.6038453 63.84110475 147.7291681 49.00370151 42.83613065 31.96147363 30.02159281 49.82965391 66.44419105 138.5422396 45.48109557 25.32513721 135.8875359 22.74709171 89.1925088 95.79404104 67.70702725 47.71591815 31.75810217 50.30452245 36.71295378 44.95696282 39.35057156 29.17557841 24.26585915 39.24961085 28.91207961 109.9895556 29.30418306 27.30936192 52.35124928 64.3273946 39.09939311 86.77970483 35.89851046 56.82545364 40.85269491 23.39596515 33.97033086 36.35345713 35.5780019 52.25712416 24.51494837 31.69907594 7.350382897 8.08388941 91.66556038 39.94144987 44.15565591 86.57029746 32.06275039 39.35907362 61.27109338 61.29725288 57.45861657 52.37943978 54.77243062 16.16117678 24.85382238 23.27823742 24.33411627 20.82318482 17.40174732 34.85824344 75.13142616 54.25374415 81.32208323 29.78453602 44.35072538 36.78947379 54.19286097 21.35839244 73.62891528 49.66437135 51.8285738 50.95635586 56.0530081 64.07650741 15.59607373 31.87251322 33.26420788 41.28093192 97.34347152 47.98934522 23.77301493 79.95156591 27.54477849 45.79135743 45.30545224 48.2662234 45.77172977 51.83864253 71.55185925 40.7550487 27.91849786 43.728697 44.50847799 79.39218552 37.66964962 69.20019069 18.68819464 15.50216153 70.0635012 36.48349684 81.39646134 25.50458132 64.2132166 59.97926226 40.79611806 57.56469992 58.43759825 53.04497546 25.32421621 62.23813528 56.1814967 33.89555119 96.52530609 111.2295048 111.5513001 76.91618887 76.92189433 158.9018801 137.614104 22.80681418 86.34144554 99.73442327 64.91012847 105.5600802 75.87349698 67.23218156 51.36280093 11.11451211 73.14228472 25.52415175 47.42160622 92.06057013 85.72880329 132.6189666 99.35970538 101.1269027 30.7400893 60.12014406 30.0829309 62.06722506 29.11583951 34.65510819 67.74944122 78.14736184 68.71891246 109.5318967 53.93831148 77.63491734 68.50186691 41.23668963 53.24134131 33.0665917 151.868239 40.96798941 Isoleucine 0.026840065 0.024897032 0.036676012 0.0291583 0.033060379 0.024183347 0.037989097 0.038533823 0.030211867 0.036932962 0.033871027 0.041736365 0.032170765 0.032279125 0.027486894 0.026674329 0.024222867 0.030663625 0.035016522 0.028060414 0.025240581 0.016684951 0.032698777 0.044583425 0.024404818 0.021388482 0.026791447 0.029164639 0.020201126 0.02936059 0.032927297 0.030594457 0.021903434 0.049876989 0.036656335 0.016494577 0.038864284 0.025627201 0.050411535 0.105587181 0.034420964 0.042521752 0.028535685 0.0296255 0.036033898 0.032035104 0.115971719 0.026954186 0.03152093 0.038315406 0.037957078 0.053422219 0.06568735 0.026142676 0.026221891 0.052373019 0.058091642 0.048848591 0.048298464 0.051965783 0.044670816 0.058683914 0.034104535 0.072799898 0.044720673 0.064959269 0.041533624 0.033279913 0.030109748 0.031781971 0.03286848 0.032369836 0.026487151 0.028665168 0.02676585 0.039276686 0.03581473 0.052190667 0.023480847 0.02699553 0.018305332 0.036243512 0.029507707 0.061955599 0.029493347 0.024423239 0.046467279 0.045178457 0.070449034 0.057561426 0.04115544 0.01744695 0.036624201 0.022884993 0.032800522 0.032166106 0.023005339 0.017955144 0.023683879 0.028057589 0.004641558 0.01655409 0.026344095 0.048267036 0.042407021 0.019088871 0.041525289 0.019537213 0.022659163 0.025295768 0.031709706 0.032514711 0.033047496 0.030655612 0.056333254 0.027178183 0.028140846 0.036991845 0.028145574 0.04750702 0.03966131 0.033261204 0.067025241 0.048258287 0.0407367 0.022743886 0.016519437 0.035937998 0.05734265 0.02761749 0.028556683 0.033425455 0.054824298 0.033702192 0.04691194 0.030402547 0.032109575 0.027997586 0.059284673 0.062855532 0.022966002 0.037848043 0.041994383 0.039397645 0.027472289 0.028957657 0.027122711 0.014763879 0.040415133 0.029908003 0.049486082 0.057156151 0.027426992 0.076998876 0.029725239 0.027254962 0.03089448 0.013374149 0.029977501 0.027734945 0.047425966 0.039923121 0.025478402 0.035286319 0.045040615 0.020606119 0.034033743 0.028013935 0.014626033 0.022900064 0.038232324 0.02542495 0.033819979 0.038578442 0.056633929 0.029141957 0.082085937 0.023850497 0.056965456 0.026892675 0.034059348 0.04736302 0.03869031 0.037284202 0.04123864 0.053065286 0.027090134 0.055018634 0.034138272 0.037103966 0.021907406 0.044052312 0.056417498 0.070002256 0.053118782 0.059096268 0.043176664 0.136095899 0.055545799 0.03960606 0.033540909 0.025218649 0.03443259 0.038474214 0.029827643 0.038195605 0.016241794 0.056433939 0.032250417 0.049706065 0.048134144 0.023372961 0.07745783 0.067044949 a-ketoglutarate 0.009054868 0.012769249 0.009647776 0.011834164 0.011906377 0.012070561 0.013653948 0.009975308 0.013073017 0.019166973 0.01006304 0.011096351 0.033681821 0.014935617 0.009922409 0.008674173 0.016888754 0.010844732 0.011065485 0.011894602 0.01176779 0.011884009 0.009674147 0.024939757 0.010849343 0.012469644 0.011224334 0.017024136 0.012411509 0.012055452 0.012625707 0.020180685 0.012582729 0.016104331 0.019018664 0.107699897 0.05197785 0.063644987 0.063437322 0.073567414 0.0202266 0.061065546 0.020217997 0.018757969 0.003689085 0.028877375 0.349762618 0.023208001 0.03287258 0.024290798 0.018484894 0.004359265 0.091817588 0.023120461 0.040415142 0.039358842 0.099070068 0.05822842 0.00108499 0.040443854 0.137491534 0.025187643 0.02521415 0.064057145 0.010423391 0.082379327 0.027497874 0.016314247 0.030446321 0.000375965 0.013503778 0.012040073 0.009810118 0.008377008 0.009684372 0.008264151 0.014015443 0.01428182 0.00965373 0.009858752 0.012233389 0.011113529 0.012537483 0.033079836 0.011982883 0.012713454 0.012138319 0.021293608 0.016762935 0.013560706 0.013023838 0.01075419 0.012492335 0.010797844 0.011972068 0.018929255 0.011285423 0.009721578 0.015189875 0.011450261 0.001680049 0.008744801 0.018798507 0.013945842 0.033195572 0.012107798 0.010366436 0.012672924 0.017104449 0.020844533 0.015668594 0.012003736 0.019703067 0.007558392 0.016598828 0.012804047 0.010043058 0.021416048 0.014674982 0.01258248 0.020302982 0.03051617 0.014127372 0.015073207 0.011114469 0.015505655 0.014173359 0.020665576 0.016824329 0.015992893 0.012173992 0.018620866 0.023418495 0.019983306 0.012892521 0.011992515 0.01113674 0.019293344 0.016179721 0.010992681 0.009943383 0.010773096 0.011884239 0.027679843 0.014924816 0.017275092 0.019258076 0.012509733 0.019423952 0.013760789 0.016885167 0.02867001 0.016865471 0.021361713 0.015471015 0.011085594 0.00840881 0.004504693 0.01631539 0.016425023 0.027111167 0.01120738 0.019296147 0.010061938 0.030691861 0.022398482 0.010641999 0.018535526 0.013599745 0.017740393 0.014263597 0.010209427 0.024695205 0.025450953 0.043933917 0.035918373 0.08120324 0.026038225 0.046210803 0.012746769 0.01398846 0.044985802 0.039986847 0.015685885 0.03159321 0.063347436 0.020725216 0.04241426 0.042480228 0.003026275 0.009453382 0.000356919 0.004698068 0.072235569 0.000850283 0.00862637 0.003073396 0.188837737 0.000684497 0.033971133 0.015589089 0.002247021 0.026427296 0.032432864 0.000559459 0.038067567 0.012188125 0.059778441 0.000192379 0.034445988 0.001799203 0.009044913 0.038114549 0.042565328 Pyruvate 2.303295663 1.455225763 0.609601931 1.066791921 1.014997958 2.393978978 1.478824699 1.185930254 1.139807269 1.445743738 1.198791838 1.267715512 1.518836748 1.230126157 0.496042793 0.592618309 1.350526567 0.779099817 0.874998944 1.084234068 0.928314277 1.09767172 0.644283433 1.204612705 0.639695279 1.251237974 0.889339606 0.799652668 3.32270397 0.705533929 0.699136151 1.299354442 0.783907398 1.165594515 0.989886007 0.299353973 0.555507233 1.03416261 0.99840371 0.633183039 0.235707103 0.616589118 1.182316219 1.444873174 0.02102982 0.771235765 0.834465882 0.722058126 0.334473803 2.086944822 0.125332534 0.046145538 1.253102426 0.900100696 1.531620524 2.477441314 1.321995568 0.15672492 0.019081279 0.558409644 0.290224035 0.241376356 0.324243481 0.32158077 0.579138556 0.913383012 0.252698032 0.708720477 1.365987904 0.014758605 1.021973573 1.77098625 1.245070038 0.968584096 0.994446068 0.735356555 0.736441354 0.984690243 0.76014814 0.572037565 0.941092589 0.898356608 0.657716165 1.864767384 0.817967101 0.901393071 1.165198545 1.570297302 0.826425222 0.910188494 1.07868601 0.880689732 1.177400412 0.38806425 0.871453745 1.103291186 0.644672631 0.967581047 0.600684673 0.704114276 0.121984174 0.398054764 1.57701663 0.884904334 0.990828955 1.439364465 0.763704452 1.201623372 1.832610098 1.244985998 1.650648822 1.252439888 1.161042082 0.261831621 0.984154381 0.743076055 0.602734284 0.620644154 0.745842357 0.953850493 1.100788084 1.172451177 1.579551474 0.672955925 0.813706504 0.744655817 0.616540077 0.61953234 1.510649736 0.906099028 1.354208334 1.048795963 1.238035283 1.789062715 0.621620938 0.474105352 0.532295179 0.654758444 1.91871307 0.701391117 0.546497471 0.888929764 0.882394094 1.055139312 1.012684575 1.118479446 1.105328659 1.23394737 1.220416801 0.533924401 1.085995533 1.164973417 1.210737543 1.27858684 0.859524662 1.143355212 0.553703319 0.287940478 1.50959268 0.541435676 2.358140373 0.886469693 1.188621301 0.497846715 1.07232877 0.98002306 1.401852259 1.561375165 0.413703685 1.348984755 1.049862471 0.670834798 1.362043107 1.969895496 0.914779118 0.763339982 0.227965987 0.997482085 1.089726704 0.443540097 0.975339786 0.989093636 0.15444811 1.159250217 0.663523766 1.242221881 0.878346244 0.329865434 0.141603862 0.020838795 0.021281605 0.012260386 0.031108141 0.218293747 0.013694707 0.028524181 0.016764426 0.473049251 0.011505282 0.231204227 0.27478899 0.006433934 0.897472058 0.613943275 0.015419919 0.355410723 0.94600241 0.124836542 0.005411071 0.15903247 0.019207179 0.072201434 0.288477738 0.113420825 Malate 0.241967931 0.198940604 0.188179334 0.259787274 0.267263391 0.312454698 0.179808406 0.177104164 0.195921307 0.352553347 0.243900577 0.20286317 0.147416419 0.256866632 0.105266902 0.163964731 0.085776491 0.316360988 0.156506613 0.255378676 0.282211645 0.36097933 0.157913615 0.295922146 0.185525695 0.080023045 0.249873525 0.289760548 0.194678842 0.223213314 0.265406878 0.21658661 0.207854305 0.491077713 0.251670974 0.13234276 0.335696425 0.494745811 0.419720755 0.320506321 0.265646727 0.164637743 0.230434522 0.462688098 0.338167819 0.268888756 0.448508188 0.117641466 0.102065577 0.641720642 0.27381297 0.245896868 0.200288218 0.213280132 0.415669256 0.565884866 0.487338914 0.3311109 0.336645588 0.43578404 0.544167069 0.228518211 0.155295464 0.223947657 0.169968341 0.359189048 0.621167088 0.20761485 0.277436001 0.134936417 0.352464675 0.217456853 0.18891559 0.126003781 0.147963979 0.310864467 0.158310902 0.121713686 0.179381122 0.370388475 0.164602117 0.203906454 0.313995665 0.370546155 0.171776376 0.28619971 0.125547774 0.388415757 0.16475968 0.261943578 0.229460781 0.262403315 0.289702292 0.124852571 0.251103482 0.311569168 0.210438921 0.335786786 0.194845388 0.17596892 0.04170926 0.151027414 0.419574277 0.280482967 0.531341195 0.355446681 0.237960789 0.276784617 0.196907721 0.078267931 0.364635032 0.274328343 0.275635167 0.129122482 0.187878515 0.257673738 0.163082951 0.364981634 0.19830633 0.412173642 0.22752908 0.168793286 0.260950978 0.262288963 0.208360447 0.235678548 0.26790656 0.105265023 0.363411458 0.258853517 0.099608583 0.177282564 0.333326061 0.216931076 0.203836874 0.19207239 0.084203888 0.173312899 0.477602019 0.259248266 0.228355377 0.268136958 0.18774173 0.309467567 0.204043751 0.115289981 0.249417492 0.287507641 0.340489841 0.346851891 0.423070415 0.243204146 0.181288397 0.440623716 0.272541348 0.210916253 0.20152145 0.096483896 0.32936004 0.334752687 0.324385518 0.115076245 0.270129516 0.260540381 0.273361068 0.282903203 0.196622829 0.298749298 0.215156435 0.262511379 0.258736153 0.200402036 0.456256843 0.318893478 0.299691596 0.25961274 0.529111167 0.319870994 0.414403582 0.158286489 0.236697316 0.344642638 0.145694489 0.262043495 0.167092243 0.238804518 0.111408482 0.087971621 0.20362338 0.193858703 0.318408221 0.33183284 0.416883772 0.3960323 0.393905314 0.43805847 0.273677245 0.378551392 0.487646031 0.395895659 0.269149788 0.367174851 0.397345468 0.325243639 0.34573953 0.283386046 0.294499765 0.370762833 0.195446558 0.259452498 0.273485591 0.338145998 0.394892026 0.415720848 N-Acetylneuraminic acid 0.028706476 0.025171519 0.007215105 0.006314593 0.012347135 0.010323401 0.015339597 0.008891789 0.019718952 0.014230224 0.014586409 0.006852575 0.010959511 0.02121605 0.004955471 0.009327206 0.014266483 0.015427841 0.024178051 0.010480839 0.008733816 0.022168216 0.010037321 0.016786034 0.007283323 0.009514504 0.008175997 0.005452946 0.008138345 0.014087468 0.02696617 0.015051039 0.003138215 0.014387266 0.008818427 0.006714731 0.003935663 0.010206029 0.01850345 0.004855326 0.011844696 0.000844823 0.008644704 0.013476424 0.004296999 0.003566635 0.001048756 0.004239675 0.004291054 0.015353988 0.004153231 0.004366944 0.010849201 0.004658191 0.01398643 0.008699696 0.009986268 0.005517164 0.003756183 0.005570282 0.003710745 0.00473419 0.007306515 0.006648213 0.053996025 0.004932779 0.002847204 0.002821758 0.006883778 0.001680915 0.011338073 0.016581602 0.012266146 0.019280092 0.015624297 0.014223678 0.010497725 0.005944461 0.011363411 0.017546787 0.012995201 0.019470419 0.011026117 0.016857338 0.013052151 0.012394004 0.011039636 0.006887106 0.011451012 0.012961708 0.011132768 0.11138162 0.008955847 0.006526116 0.007777562 0.017038378 0.011066233 0.007406604 0.005120821 0.014826614 0.001471424 0.004806634 0.014766423 0.014686958 0.008802361 0.016840215 0.008132968 0.014622309 0.01684882 0.008811025 0.011046181 0.012006148 0.005162789 0.010751424 0.00906025 0.008145142 0.012501341 0.009894125 0.009254059 0.016304457 0.007168733 0.001888097 0.018959398 0.021338046 0.01954593 0.006442332 0.011581465 0.017584445 0.013364302 0.006728003 0.005590119 0.012181924 0.016832038 0.010487799 0.013679071 0.008828014 0.010933092 0.025527699 0.018951303 0.01554856 0.010469761 0.015197318 0.01039543 0.012587766 0.015654299 0.00922632 0.015875413 0.006101287 0.013028184 0.007433572 0.013411275 0.017234845 0.012860867 0.033561458 0.026976013 0.016280733 0.015091924 0.005632598 0.008965188 0.032147292 0.010506856 0.009196765 0.022746373 0.011525815 0.007098742 0.010012899 0.016478961 0.016648186 0.018390429 0.015191515 0.013896497 0.00901689 0.01423408 0.018237119 0.009837512 0.010375107 0.019798416 0.006998894 0.012704047 0.005683314 0.00525771 0.008714438 0.022090051 0.008348529 0.003476483 0.000443559 0.00090295 0.004169918 0.003405032 0.002231214 0.013662831 0.00438743 0.003162398 0.002434789 0.003821226 0.00204754 8.21633E-05 0.003133037 0.018098568 0.005310599 0.007095726 0.003306238 0.006280678 0.032611207 0.022116895 0.012801583 0.019018979 0.010421943 0.002467286 0.017288464 0.003989641 0.008066493 0.059996648 0.014725524 Pseudo uridine 0.008718014 0.00619242 0.008126565 0.007246571 0.007753776 0.006042134 0.008130477 0.006123894 0.008412072 0.01033789 0.007786624 0.011858999 0.009616005 0.008337901 0.007078633 0.005996092 0.010796279 0.00951865 0.006581152 0.011250268 0.009213284 0.008890403 0.006032668 0.015222339 0.008309862 0.007833523 0.007062228 0.009787848 0.007799613 0.010686125 0.009341433 0.011785209 0.007711233 0.012861239 0.010875975 0.008109188 0.008781802 0.017358914 0.01467536 0.012585535 0.008068163 0.005757814 0.007752437 0.007607751 0.011661675 0.009322132 0.014819039 0.007441809 0.008411337 0.010734375 0.015530384 0.009570275 0.011086308 0.007105278 0.011390584 0.008581537 0.013453143 0.011219993 0.007248852 0.012672074 0.017421842 0.009146969 0.009132697 0.010397057 0.008669814 0.013074494 0.016537926 0.008280154 0.007683965 0.008115467 0.009220565 0.009351188 0.007465128 0.007173049 0.00862982 0.016048567 0.009089665 0.008290754 0.005303831 0.0092198 0.009776185 0.019278941 0.008738065 0.009759766 0.007623512 0.010543618 0.007029053 0.011994861 0.012925776 0.006962559 0.008414843 0.007505137 0.008614898 0.007645144 0.012290503 0.011770113 0.010225379 0.011036004 0.010370473 0.006395317 0.002594922 0.006011149 0.007761141 0.008747526 0.014811418 0.007144449 0.006737826 0.007395001 0.007864417 0.008192112 0.011288505 0.012733257 0.009733382 0.008191408 0.010958202 0.007062849 0.009099729 0.007578955 0.008036799 0.011370519 0.006684939 0.016098481 0.011120686 0.009334115 0.014684106 0.01419807 0.013822342 0.014838968 0.011278666 0.017108697 0.012536216 0.014473941 0.01992502 0.007151753 0.010688453 0.011249992 0.010165888 0.006203204 0.013355041 0.011261239 0.008302629 0.010289837 0.010201544 0.011421013 0.009858437 0.010433498 0.014561148 0.007935821 0.010415015 0.012082027 0.011555813 0.007972714 0.014156763 0.018842597 0.009908809 0.008766777 0.006715975 0.004374771 0.012678695 0.016518004 0.011114345 0.007800273 0.014296954 0.007358408 0.008637309 0.011216708 0.009761457 0.011025713 0.008809767 0.011288652 0.011491359 0.011133988 0.042902703 0.009717749 0.010408317 0.009374044 0.015785978 0.005585457 0.01062272 0.007718808 0.012126703 0.011224735 0.017467531 0.011827501 0.009435453 0.00995654 0.003564432 0.005302228 0.008564187 0.006449262 0.010684354 0.015301315 0.017205556 0.01761041 0.01313114 0.013763111 0.011776322 0.018587378 0.014994161 0.009897362 0.008833092 0.0084811 0.010864827 0.009701211 0.008091117 0.009251353 0.007170649 0.010079212 0.007438025 0.012049958 0.006994717 0.008457665 0.012591103 0.010846605 5-Hydroxy-tryptophan 0.021234568 0.01670705 0.026703383 0.037792018 0.013790291 0.010048333 0.009847456 0.00951965 0.025179381 0.013017862 0.015515665 0.014016412 0.003696784 0.016999208 0.00125581 0.008466645 0.012282441 0.01421896 0.031697727 0.011873441 0.010798462 0.023225598 0.008082205 0.01873439 0.004237348 0.009039961 0.009531222 0.005211658 0.008650577 0.027493082 0.018637831 0.002483691 0.000761422 0.017218738 0.007203757 0.002885569 0.008726456 0.013456791 0.021831691 0.013546752 0.007716474 0.000870109 0.008059777 0.008043264 0.009700399 0.009458857 0.006316736 0.005533337 0.004617979 0.010184234 0.014648749 0.004762446 0.012570962 0.009268233 0.01395731 0.00811562 0.012661711 0.011638131 0.011149529 0.009976307 0.006720039 0.011517632 0.013547582 0.012356183 0.023773074 0.007405228 0.00762574 0.007048924 0.007352297 0.002531193 0.012995694 0.014924171 0.023874074 0.021762061 0.018551321 0.016035144 0.004275336 0.004890134 0.010504629 0.023674165 0.015261631 0.024295144 0.00926515 0.021236682 0.01113767 0.012914783 0.01403389 0.022639578 0.004354326 0.010104022 0.011247593 0.031802076 0.01403419 0.003834621 0.013393551 0.02157661 0.010785149 0.010479537 0.003010049 0.009436345 0.00058698 0.007584107 0.019286703 0.016862419 0.011266713 0.01745791 0.009101742 0.012978119 0.008371949 0.019055872 0.015862976 0.022684167 0.012611305 0.006484446 0.008711394 0.009904132 0.026425644 0.009864783 0.008128871 0.021540313 0.006251744 0.001483297 0.017792529 0.026379432 0.019063973 0.007370252 0.001920064 0.018082121 0.015894037 0.009373129 0.012495085 0.004983932 0.01472609 0.011272195 0.009116035 0.003098536 0.006070685 0.013956847 0.017331337 0.01336672 0.024310726 0.016426223 0.00767129 0.01047979 0.010798215 0.011345656 0.011460535 0.009230078 0.013994284 0.011281198 0.017173624 0.012892367 0.013135429 0.01871057 0.022969109 0.017723172 0.016979476 0.004628746 0.00968013 0.028042673 0.008553894 0.034358677 0.02968419 0.011773443 0.001433887 0.011113323 0.016978217 0.011836543 0.015088334 0.011863038 0.011899805 0.010436396 0.012373691 0.021652094 0.009199309 0.014137731 0.01625414 0.006649828 0.011107782 0.004507195 0.007394564 0.014201867 0.01980789 0.009763918 0.005736931 0.004085604 0.000898362 0.001676772 0.006461041 0.003639603 0.010721584 0.005427587 0.007442823 0.011514738 0.006029474 0.026503405 0.001215988 0.007399878 0.024290812 0.018750748 0.011323177 0.010197173 0.011810602 0.018920265 0.037109366 0.014976016 0.019135146 0.011128948 0.017564032 0.050232913 0.008423923 0.014056586 0.041165048 0.02890234 3-amino-2-Piperidone 0.020137996 0.021327343 0.017780893 0.035485829 0.037887845 0.02983901 0.012421535 0.017809718 0.015622397 0.01722882 0.021159152 0.016452113 0.01708615 0.009735356 0.027567394 0.021431391 0.03114309 0.015979045 0.027394526 0.034879527 0.020398895 0.023628934 0.029031138 0.019565177 0.048724248 0.011602513 0.025424029 0.03178042 0.01699095 0.01589058 0.024207825 0.03903574 0.021911997 0.024861557 0.020742908 0.033338229 0.016299806 0.026541312 0.038592051 0.024038522 0.017970655 0.048675681 0.020198057 0.024116234 0.0386684 0.027497721 0.02145075 0.021694061 0.036474008 0.026746261 0.025344914 0.073825205 0.018923735 0.019881459 0.028671622 0.015105648 0.014040238 0.034820286 0.04740069 0.039596816 0.032920692 0.024794665 0.023853603 0.031544181 0.026894935 0.038015023 0.026102801 0.01790881 0.019987735 0.05516415 0.013597036 0.01705541 0.037931548 0.017574413 0.024363393 0.037555913 0.033824346 0.009898639 0.03124291 0.031749082 0.031650206 0.027003876 0.012374749 0.016446388 0.024738252 0.031465778 0.019141614 0.028125092 0.023856765 0.014316611 0.028862601 0.043404044 0.02028453 0.019273606 0.014522829 0.021181577 0.027591145 0.024252402 0.013597161 0.018109839 0.002401696 0.041388831 0.021914973 0.021453483 0.016777058 0.045203785 0.020613632 0.028572409 0.019744023 0.015530428 0.030735136 0.0307798 0.013129832 0.013734223 0.022846496 0.013948194 0.021053845 0.021565016 0.018397522 0.03423188 0.006552004 0.02647163 0.017249687 0.03349791 0.013709818 0.013056681 0.017713084 0.026051304 0.013179902 0.021679543 0.016538204 0.017198124 0.026126715 0.029492853 0.027773186 0.016318433 0.017487381 0.025861876 0.026667425 0.016954003 0.030198168 0.026908243 0.03192398 0.014467574 0.025003354 0.009481297 0.025444563 0.028296288 0.027758756 0.040759685 0.031561066 0.02774662 0.029766187 0.013717118 0.025034651 0.016603758 0.026308026 0.009136549 0.014349361 0.029165412 0.011194707 0.029240907 0.016875406 0.016284069 0.017328171 0.016751339 0.03923483 0.022470443 0.017306886 0.023418219 0.019318501 0.017907755 0.008122326 0.021786869 0.030244961 0.020921594 0.013257559 0.012588428 0.031052792 0.026514241 0.015345902 0.034981056 0.032284905 0.025037999 0.021749851 0.026544985 0.017031608 0.020386347 0.014637321 0.014698218 0.019433453 0.057281978 0.035693882 0.033390318 0.055023875 0.037365852 0.033584931 0.024399895 0.040653348 0.029507561 0.012909907 0.03612767 0.032587489 0.047827032 0.022505727 0.026111987 0.042758687 0.015768368 0.033489906 0.044472526 0.039910598 0.033043028 0.037350547 0.025809296 Succinate 0.042813179 0.036189802 0.087704867 0.147831774 0.031030454 0.02439228 0.026453297 0.019412711 0.073258107 0.043804731 0.028801551 0.016409854 0.019417474 0.03659295 0.010940166 0.030219914 0.028996502 0.023533449 0.064125988 0.024743909 0.025884573 0.053522083 0.023418704 0.039923541 0.015426989 0.029214917 0.030237101 0.017156594 0.022511852 0.09323887 0.035474873 0.019416559 0.012530259 0.031681538 0.026484814 0.023715762 0.040891878 0.078571387 0.079914218 0.051183224 0.04167501 0.017585244 0.038389169 0.097995901 0.038150262 0.031061515 0.087457534 0.06434553 0.02433966 0.120605385 0.06611484 0.039787885 0.024605021 0.031221798 0.062360069 0.049955793 0.042748378 0.059110341 0.060966241 0.0446859 0.06675869 0.053788746 0.049501831 0.046739899 0.032111514 0.047678175 0.055571322 0.023751092 0.036556216 0.023047265 0.023149901 0.036882122 0.090949703 0.05619432 0.045407749 0.024541521 0.016881943 0.011143502 0.025529308 0.045326621 0.021354156 0.067973774 0.033144258 0.056190475 0.016759748 0.022719145 0.034421472 0.060995129 0.013075639 0.026030204 0.026832093 0.039620377 0.03163651 0.013940133 0.025280359 0.034456581 0.027449909 0.012045608 0.01325305 0.015335279 0.002718991 0.017239147 0.023356888 0.036736836 0.023625057 0.025405239 0.016063311 0.024478751 0.015319656 0.056471828 0.02531364 0.061946316 0.034311402 0.021109273 0.027087955 0.024692843 0.079071896 0.034518871 0.033358882 0.033090103 0.02177553 0.014561098 0.031813134 0.054316458 0.041159773 0.017980154 0.016368707 0.063836026 0.040969976 0.033289776 0.038690334 0.018084322 0.040023991 0.030431065 0.041939283 0.013161665 0.015092384 0.034640453 0.042182246 0.029854321 0.057201233 0.045060529 0.019726147 0.027381683 0.018925084 0.045644123 0.031476003 0.018653202 0.039374393 0.018329468 0.026164639 0.032331631 0.028378576 0.045651513 0.039466923 0.039075858 0.03590145 0.013451105 0.034872662 0.062282234 0.031440207 0.126526416 0.074975795 0.02276939 0.022499471 0.024066704 0.039860117 0.025567109 0.042639197 0.02620739 0.034059229 0.02788025 0.038253707 0.040073477 0.037084042 0.034475889 0.05744454 0.046595931 0.049695848 0.014846545 0.027330351 0.041738704 0.063114808 0.032059464 0.028019187 0.032082091 0.011000354 0.01005915 0.034163351 0.030347614 0.044872368 0.075392262 0.127259939 0.075096514 0.07617979 0.327259445 0.040175243 0.081685505 0.116927718 0.076261705 0.0361045 0.045200281 0.027079241 0.040376268 0.124069837 0.047265525 0.033952372 0.051898679 0.181637076 0.142744251 0.035585357 0.031773768 0.087351188 0.094087888 Myristoleic acid 0.010324467 0.011585485 0.009064599 0.016853373 0.018923669 0.018918803 0.00822053 0.010280863 0.006249778 0.008180622 0.01315013 0.007867788 0.006540228 0.00561419 0.013045772 0.012509129 0.019287534 0.009844817 0.01488194 0.017449278 0.011118894 0.014316082 0.01580705 0.011679807 0.030913885 0.006648877 0.014814451 0.020497376 0.009723911 0.007565314 0.010248209 0.016856069 0.011632198 0.012471907 0.012809542 0.016769384 0.009614237 0.01221563 0.017025565 0.013738693 0.013187013 0.024193658 0.009863341 0.011396933 0.021398476 0.014815411 0.009901853 0.013311149 0.022223328 0.013653708 0.013094589 0.034734633 0.008055681 0.007383053 0.012252594 0.007639567 0.007620508 0.02091638 0.020639142 0.02543704 0.017404551 0.014804413 0.015332352 0.017064658 0.013667676 0.023278814 0.014560477 0.010187049 0.010646981 0.030845384 0.007503217 0.00770499 0.016380976 0.010455578 0.012007848 0.018176048 0.019841998 0.005015609 0.017184769 0.018378438 0.015623207 0.012754807 0.007342188 0.009709581 0.014248674 0.01588231 0.012010729 0.013377263 0.012775551 0.009232953 0.014291824 0.021279836 0.010039438 0.010082407 0.008521232 0.01279419 0.016912081 0.012611014 0.00979553 0.009267176 0.001252721 0.020877186 0.011561123 0.01362708 0.0077063 0.024043416 0.012064731 0.013982446 0.009801374 0.006412688 0.016252646 0.018749699 0.005442123 0.009029851 0.014388471 0.007113768 0.011612083 0.013074979 0.011119443 0.018625397 0.004215169 0.016441009 0.009704788 0.014630587 0.006933176 0.007798725 0.008557505 0.015088767 0.008631808 0.012005286 0.009537854 0.008669315 0.015033748 0.017500747 0.017285018 0.008468441 0.009990886 0.017437498 0.013379708 0.009561094 0.017147461 0.013355614 0.01868246 0.007472526 0.013320295 0.006274364 0.013334117 0.016765727 0.014957352 0.020883932 0.016007487 0.016155204 0.020625564 0.008866014 0.013648564 0.006040504 0.014401276 0.005926312 0.007787803 0.01376895 0.007107257 0.012823932 0.006740575 0.010397545 0.005730376 0.009046358 0.022257204 0.013012015 0.010170403 0.009920921 0.014344597 0.010600617 0.003120487 0.01100522 0.015656069 0.010963976 0.009173133 0.005791124 0.016494629 0.016831739 0.008118082 0.016174366 0.018002788 0.015100661 0.014168865 0.013135522 0.008682862 0.01021865 0.007616442 0.008495331 0.011221151 0.030215964 0.017332762 0.013636343 0.032349747 0.017838269 0.016021167 0.016327374 0.022007229 0.014662068 0.007904703 0.020341483 0.018996527 0.02521304 0.010320144 0.015930413 0.021542616 0.009898568 0.0155057 0.014793852 0.02200819 0.017698643 0.014350331 0.014673462 Octadecanoic acid 0.287458415 0.222179922 0.783281453 0.37396628 0.326184299 0.542336911 0.455295227 0.265640086 0.496198979 0.462337781 0.233520895 1.089771253 1.48200413 0.599066089 0.629689289 0.531682828 0.620369787 0.263050035 0.38993302 0.201488936 0.252197797 0.259077446 0.380390744 0.509750107 1.4480965 0.340301329 0.379121351 0.29005108 0.322287065 0.42743755 0.335240028 0.658662955 0.487199933 0.960504425 0.439920749 0.719471654 0.450296227 0.591793852 1.408674326 0.996045837 0.670232958 1.019739168 0.471151582 0.469352852 0.514804837 0.303490026 1.921671708 0.256012793 0.651590388 0.576274954 0.656669637 0.603134094 0.480841885 0.449472649 0.705444797 1.006852622 0.578738989 1.251509327 0.310810379 0.506605645 0.630260839 0.671299659 0.434972087 0.446613671 0.321881889 0.380939023 0.892590021 0.401588695 1.058865906 0.647244847 0.50084168 0.247478016 0.333525721 0.231573132 0.425541056 0.324472504 0.618152248 0.666024824 0.313335561 0.380716251 0.436982012 0.278506589 0.471562451 0.723337881 0.528393536 0.445922208 0.642596447 0.245370056 0.559517239 0.311971829 0.479493365 0.236876736 0.219826099 0.485401358 0.564948055 0.59880992 0.307287248 0.276106519 0.36866658 0.719803588 0.091652844 0.444801408 0.316676724 0.441795711 1.614240807 0.237931597 0.499096051 0.265432367 0.642419166 0.559819199 0.2908979 0.207056523 0.570917551 0.38703912 0.706852017 0.498946556 0.748331586 0.54816608 0.267587565 0.355498766 0.2749191 1.193751456 0.74495713 0.303600084 0.212617504 0.352172648 0.498462252 0.797480581 0.399220745 0.539268976 0.262750481 0.689910711 0.834098659 0.59751548 0.521197152 0.663957153 0.443154019 0.373820526 0.547346826 0.692211375 0.726172878 0.235651425 0.509315883 0.802473949 0.486967809 0.475807003 0.358655627 0.752647273 0.360421907 0.299607078 1.101274232 0.872083398 0.467930806 0.660773072 0.4622412 0.259464905 0.174882963 0.251430654 0.659486868 0.312714357 0.526184984 0.721544066 0.451564697 0.279183906 2.141738836 0.298928556 0.870741912 0.240685629 0.713193101 0.281937602 0.486272612 0.532370454 0.555402755 0.299742583 0.763433977 0.981561227 0.471121118 0.732886521 0.838878235 0.643038114 0.466845234 1.205398386 1.104942106 0.458734576 0.357466108 0.695731012 0.695072042 0.530083482 0.655296194 0.483197595 0.771437533 0.764339844 0.891972732 1.212345458 0.722776227 1.404832269 0.412823755 2.09874148 0.376078223 0.569800126 0.859381959 0.643875835 0.689484046 0.343294722 0.290714176 0.477770132 0.340455161 0.759250183 0.513427825 0.409833651 0.532192983 0.333260388 0.578989676 0.743540712 Uric acid 0.290310327 0.451232321 0.307936234 0.379097524 0.325975961 0.187913283 0.4765292 0.52430184 0.474838309 0.354864912 0.425384769 0.583048282 0.387093988 0.257217904 0.385782212 0.271717112 0.331541953 0.247315969 0.63911283 0.240149811 0.315990161 0.310086225 0.259141581 0.387244483 0.364100558 0.210222414 0.325017237 0.440652941 0.159052273 0.240645183 0.424033185 0.496511986 0.24391964 0.475111027 0.397105604 0.147816706 0.379106947 0.415234667 0.392201456 0.52581926 0.188172225 0.192128388 0.179039954 0.180503345 0.586973447 0.398750824 0.900301873 0.337309938 0.558247163 0.257013781 0.961082205 0.481292793 0.79224284 0.124594018 0.343583163 0.547783574 0.741727238 1.272632795 0.27416699 0.216824517 0.649581656 1.042406303 0.406580474 0.614173853 0.272516867 1.220625633 0.554326339 0.249320628 0.254661819 0.559373833 0.30045404 0.416424218 0.317242472 0.157210718 0.177897553 0.34022563 0.29907629 0.306326511 0.273252655 0.46009559 0.397910365 0.394688304 0.388267205 0.585976242 0.284661353 0.312047223 0.379943226 1.253669655 0.475197585 0.374807703 0.319522232 0.309373318 0.372052979 0.180041963 0.618039205 0.557002747 0.299992987 0.23247019 0.198467359 0.100740938 0.103467287 0.102693737 0.186401429 0.342160903 0.818068758 0.368355638 0.278917531 0.270380428 0.177428138 0.37933422 0.373894517 0.401399423 0.434732306 0.378797455 0.324191921 0.366116055 0.401347007 0.241740179 0.240432496 0.613686564 0.349464873 0.739166549 0.581731698 0.494659116 0.445484444 0.841271582 0.44445695 0.659047542 0.47013627 0.641658277 0.316078086 0.502973365 0.984722465 0.359820461 0.830656547 0.102273151 0.416310323 0.233905092 0.506806184 0.617560752 0.252711672 0.286230752 0.331078982 0.82609057 0.308733909 0.204281797 0.712110517 0.282351687 0.373232134 0.476262725 0.334060095 0.26761252 0.309238469 1.048650817 0.262694583 0.311831689 0.156616386 0.111095805 0.891367449 0.554468113 0.326417271 0.599586512 0.569583728 0.407392909 0.239352981 0.288040124 0.462299387 0.444958888 0.265338434 0.263745177 0.515589956 0.319079203 0.913834256 0.543807747 0.437616075 0.341198488 0.256610406 0.232691555 0.456690121 0.243376792 0.323941364 0.36446876 1.097915508 0.271245395 0.518976979 0.598035908 0.132918817 0.301990188 0.261485251 0.378937857 0.300824687 0.513407744 0.597062723 0.667672306 0.513373412 0.41838008 0.616596458 1.26104688 0.78868182 0.341479999 0.081154676 0.4159124 0.225057478 0.624090517 0.491457596 0.296871125 0.244461373 0.321891267 0.250445377 0.774442081 0.377389954 0.339772568 0.862350014 0.321060442 Caproic acid 0.028095135 0.046133172 0.031993738 0.033875018 0.026961471 0.025587655 0.026732149 0.042023029 0.028588548 0.037314231 0.03459031 0.026817134 0.03130702 0.04151114 0.049594588 0.019544049 0.024941629 0.024958206 0.027854096 0.024897115 0.021981782 0.030678828 0.01874029 0.026107092 0.052479788 0.023772769 0.027462644 0.04882141 0.026056039 0.022029904 0.022811292 0.037022035 0.045901629 0.03282376 0.022881889 0.030187703 0.029178515 0.041674641 0.05731152 0.050209963 0.046238541 0.034943052 0.025980975 0.025204482 0.054389009 0.025032946 0.053443846 0.032812632 0.029898429 0.030216848 0.034919567 0.071266949 0.055876719 0.023115732 0.028122214 0.02730487 0.039834581 0.03358758 0.0375224 0.028503388 0.039837627 0.029460681 0.023577599 0.032897201 0.035460785 0.021627983 0.041005423 0.023620754 0.02520028 0.047913074 0.028057696 0.024193663 0.023867116 0.032783375 0.024298677 0.020424716 0.041082757 0.037843699 0.022695498 0.026952313 0.020081673 0.02783894 0.025822371 0.027827429 0.030789981 0.030352687 0.026418004 0.032366361 0.060363287 0.041650847 0.023662894 0.048662334 0.031868782 0.043179019 0.02429489 0.030347689 0.023779468 0.016528505 0.05149071 0.026187978 0.008747706 0.019386481 0.028460866 0.026348921 0.024579565 0.023911642 0.035075086 0.031688858 0.024658391 0.031578346 0.026391168 0.029593338 0.03175039 0.019842951 0.023442078 0.030068221 0.034163359 0.035382706 0.028561861 0.029264719 0.02627653 0.055102538 0.032955634 0.03663509 0.030129259 0.04044903 0.078642851 0.034719317 0.036191716 0.023245877 0.031243797 0.030147757 0.024043741 0.026376174 0.031643635 0.042670245 0.030841571 0.020994216 0.031778502 0.018342343 0.028533459 0.026537904 0.023234911 0.03012686 0.024866872 0.025982796 0.032590955 0.025256442 0.026146691 0.026465991 0.026687895 0.026516987 0.024543402 0.038217644 0.026029035 0.030511745 0.01944222 0.014176911 0.02803682 0.031698188 0.027144468 0.03271596 0.02359688 0.024228902 0.039201897 0.021078935 0.024890177 0.033040112 0.026874057 0.02677002 0.028130604 0.022586016 0.02589121 0.046566978 0.0291614 0.02431322 0.048178311 0.02298885 0.03323617 0.031271142 0.030949531 0.030950824 0.034492549 0.038817154 0.02366363 0.022758229 0.022871073 0.021066279 0.039963278 0.060175841 0.047074483 0.074767174 0.068006339 0.030723593 0.081204409 0.075374374 0.052983612 0.049570787 0.063592296 0.031276832 0.029941575 0.055018767 0.040270376 0.030627386 0.061863262 0.047481972 0.028732815 0.039177795 0.057915906 0.028224354 0.04156915 0.033380737 0.038763425 0.049935774 Parabanic acid 0.004004129 0.003113038 0.006128694 0.006261113 0.005809529 0.005465305 0.002891197 0.003494686 0.003470491 0.004679952 0.001961409 0.007306085 0.005140945 0.002494942 0.007062792 0.003285353 0.009263544 0.003599751 0.005318982 0.006399439 0.003673123 0.009137608 0.003458519 0.002183797 0.004912718 0.003343562 0.008508065 0.009550527 0.003802469 0.004997526 0.003514479 0.009633063 0.005073508 0.005407804 0.008021116 0.006774525 0.002618897 0.00968839 0.007376802 0.003005868 0.008697752 0.007818083 0.005194702 0.005039843 0.008076435 0.007618172 0.005250926 0.00710233 0.00785278 0.004525559 0.004671216 0.005734397 0.003027001 0.005816036 0.007067241 0.005241955 0.005859578 0.004558921 0.006694244 0.011493976 0.003818438 0.003156634 0.004330781 0.006029929 0.004598111 0.006691289 0.010373989 0.008214795 0.007763424 0.004753893 0.006673134 0.002623208 0.007102362 0.003802702 0.004999613 0.009440879 0.004777416 0.00495986 0.003799662 0.005562182 0.005358842 0.009873592 0.004033272 0.003110043 0.004038872 0.006716094 0.003582031 0.007178805 0.005306904 0.00242915 0.005709604 0.003376506 0.003397412 0.00527258 0.003871635 0.003200282 0.007675552 0.009226163 0.004521208 0.004286975 0.001209095 0.006189264 0.003752976 0.003555721 0.005819652 0.005285816 0.005137113 0.005351453 0.003813893 0.00475857 0.007837676 0.011515246 0.005644229 0.002824448 0.004714579 0.004442279 0.004385157 0.004499997 0.006465733 0.008752524 0.003743905 0.006955683 0.005930865 0.007208303 0.004969694 0.00365578 0.010939656 0.005205112 0.004360687 0.003330361 0.006620844 0.005215976 0.009068405 0.004923591 0.003166268 0.003824628 0.00565206 0.004380246 0.007690504 0.003383011 0.005088819 0.003447045 0.002439262 0.002721165 0.004367049 0.003393998 0.005435445 0.004401897 0.005423591 0.013113499 0.010689651 0.006911702 0.02067994 0.003892485 0.002574901 0.003117839 0.004679791 0.002491587 0.005752301 0.003455333 0.004345528 0.006790674 0.004396972 0.003814213 0.009150017 0.004101193 0.010170476 0.003808356 0.004171302 0.004299346 0.004120444 0.003777001 0.005420385 0.003384525 0.004406942 0.003401472 0.005995531 0.00240633 0.003522859 0.008524854 0.004420682 0.009058898 0.00929608 0.009523666 0.002519322 0.003580117 0.002971797 0.006838782 0.005639511 0.003455441 0.006519582 0.008933352 0.005088982 0.006675995 0.018777018 0.008317921 0.003477436 0.009113461 0.007359405 0.003684299 0.002711599 0.006611563 0.005746295 0.002962509 0.004751433 0.004108805 0.006146744 0.003743963 0.007277086 0.007682863 0.005460519 0.005388572 0.004080738 0.004681978 Glyceric acid, TMS 0.032773641 0.042274792 0.122054665 0.083847213 0.042006694 0.050305067 0.047603967 0.031887898 0.056457893 0.105028517 0.054728949 0.063490274 0.08110838 0.037419806 0.170214763 0.052751484 0.042538322 0.05692937 0.04036294 0.093226928 0.059208211 0.135619513 0.024066948 0.088221903 0.064420876 0.060102529 0.096632938 0.105994794 0.066856337 0.070754812 0.072614979 0.10410813 0.118230262 0.155556913 0.056813516 0.095023103 0.033665451 0.081109541 0.09396864 0.055093141 0.040488632 0.024548112 0.026247703 0.045866187 0.085164864 0.11427493 0.067152345 0.080455697 0.105880068 0.051824198 0.061340635 0.043888815 0.04097509 0.037320895 0.108235773 0.051979834 0.053165663 0.067975517 0.048978337 0.037972056 0.057099427 0.088404022 0.075981386 0.065953839 0.054571114 0.050235069 0.055771454 0.052312215 0.028341086 0.039035452 0.073341836 0.05588885 0.049556893 0.156867108 0.04937257 0.121524909 0.182951565 0.064423597 0.047271348 0.19668277 0.053490194 0.05951017 0.044290252 0.058612522 0.038878118 0.049115642 0.103258685 0.150000722 0.088228395 0.061077881 0.044510664 0.096589055 0.049673434 0.121651107 0.100379387 0.07206963 0.142331041 0.08373043 0.172088685 0.047985251 0.010123399 0.046689672 0.12098808 0.092510185 0.102963834 0.074975368 0.065539769 0.126392303 0.025565196 0.080551556 0.093355116 0.082630404 0.114834755 0.042287209 0.076722642 0.079057649 0.147439331 0.040187696 0.076793273 0.074526089 0.037058716 0.109609455 0.033337473 0.078178805 0.047861032 0.125728368 0.264212222 0.164715939 0.059073567 0.057042297 0.118458167 0.086037519 0.07272164 0.063185408 0.035288462 0.075276559 0.091305559 0.064385874 0.143553404 0.055714624 0.110645248 0.112013956 0.062776388 0.07819948 0.0784811 0.087926672 0.052823394 0.120044324 0.07244618 0.133278018 0.030174664 0.042531447 0.092694288 0.151042757 0.152906 0.04483953 0.176701904 0.039375111 0.061064789 0.059407162 0.089367684 0.068254419 0.049645316 0.110554774 0.049607352 0.102995104 0.038651776 0.08641181 0.229115339 0.071697654 0.033081836 0.047499433 0.05503297 0.042269524 0.045876231 0.153266662 0.053393902 0.048173431 0.049350222 0.048421933 0.198616052 0.193346961 0.15897477 0.196803357 0.025530586 0.039913106 0.080383878 0.077686037 0.121913031 0.038941116 0.141234891 0.080083458 0.040362235 0.251832638 0.084625245 0.038915928 0.11545952 0.145874247 0.182412136 0.051050427 0.179388871 0.107194932 0.085131164 0.137783973 0.099104206 0.222764023 0.086976416 0.093209817 0.164906438 0.053050283 0.047400858 0.153826155 0.07872843 0.043405491 3-hydroxyoxyisovaleric acid 0.03177689 0.025780445 0.011437345 0.026070069 0.02744728 0.013534593 0.022516603 0.042025458 0.045077048 0.023669803 0.031165687 0.086367163 0.02126813 0.043400339 0.013960516 0.016841319 0.021920248 0.03168933 0.023642312 0.018726568 0.021579568 0.030220941 0.022917331 0.017017247 0.022420123 0.031074049 0.014328469 0.022036171 0.020239602 0.059526508 0.034053681 0.019375904 0.01551386 0.029666281 0.013553839 0.017304688 0.041578167 0.037661324 0.039395186 0.035371348 0.072596518 0.020142239 0.032309857 0.023374851 0.026156463 0.024189448 0.02030479 0.021634177 0.035789216 0.036100868 0.03387089 0.030343506 0.031820683 0.024272839 0.050000738 0.023058931 0.035972517 0.053497508 0.031353358 0.029568678 0.05754265 0.031009819 0.015482575 0.054658044 0.026195275 0.025397628 0.059733288 0.011189832 0.017930377 0.041124907 0.025464309 0.0168577 0.017824935 0.022511841 0.032022689 0.027759137 0.012869677 0.029683028 0.01563868 0.013192811 0.013945983 0.038600817 0.021880704 0.027820204 0.022679485 0.028122501 0.022755632 0.022935317 0.025352609 0.023087571 0.026137935 0.021605156 0.02413156 0.016200087 0.028742999 0.020006393 0.011353485 0.037762248 0.011192046 0.017287251 0.002771235 0.014333248 0.024370344 0.012332174 0.025557846 0.016731369 0.033640528 0.019284599 0.021113423 0.033297181 0.018018181 0.015573913 0.026208229 0.025033171 0.022825456 0.010419367 0.010885646 0.022772296 0.01402341 0.022264413 0.020640171 0.047996683 0.037728206 0.029274228 0.084264634 0.035867889 0.020917094 0.025423684 0.026253842 0.042026165 0.017921687 0.019781962 0.031348742 0.018770878 0.023384994 0.026914661 0.016635974 0.011818559 0.028436517 0.023959551 0.025516816 0.031289256 0.009728609 0.031449764 0.023053893 0.01208203 0.026507765 0.024086867 0.028920975 0.023599773 0.034484454 0.019814201 0.019230121 0.028913114 0.020453508 0.016763061 0.025382502 0.011501273 0.028778009 0.027961761 0.014776714 0.030701907 0.025623486 0.01473672 0.032030241 0.024498166 0.02095467 0.01872664 0.016133326 0.021715945 0.025249258 0.015371443 0.34582168 0.03041395 0.034170027 0.04744253 0.030671207 0.018966128 0.039182853 0.040160612 0.019701706 0.061168573 0.023836733 0.023954175 0.035618645 0.029075892 0.024873005 0.058360039 0.012838327 0.054167625 0.043420893 0.016503938 0.022804534 0.023744299 0.017083255 0.025963495 0.021040649 0.029128918 0.044732481 0.039259914 0.01551839 0.021302354 0.055517636 0.026853429 0.019570632 0.041948171 0.021607853 0.038981074 0.038422653 0.026255781 0.036150897 0.02135119 0.069309872 0.041911153 2,4-bishydroxybutanoic acid 0.011257766 0.023161478 0.016242416 0.011599041 0.012862857 0.013840077 0.009372739 0.018771207 0.008318646 0.029236639 0.011177104 0.020435288 0.022287621 0.009454254 0.014008376 0.007899731 0.011819316 0.01358881 0.009017519 0.017490952 0.018262041 0.024063669 0.010729215 0.014382997 0.011432001 0.011434089 0.014403162 0.020739821 0.011625733 0.010209316 0.012469941 0.052819873 0.038269731 0.012640998 0.013248822 0.014911829 0.016142123 0.052536278 0.06016194 0.01132277 0.014533349 0.015755808 0.013484452 0.018829374 0.015508017 0.035197829 0.016021161 0.029684721 0.029811892 0.024669001 0.035812505 0.012975299 0.017840047 0.011035769 0.035851095 0.007321166 0.01926635 0.01823465 0.014253449 0.013512792 0.029376586 0.011840973 0.012773646 0.015801974 0.009793871 0.022198553 0.017501561 0.019450936 0.017005464 0.012164125 0.010013095 0.013313981 0.01735743 0.013157694 0.021292518 0.018048448 0.01740852 0.015272745 0.012592256 0.01191996 0.029115518 0.008600103 0.015984852 0.020214006 0.0256801 0.017390683 0.013384472 0.018716246 0.029905284 0.012573055 0.013414385 0.016861558 0.029060889 0.027476915 0.012696902 0.010703952 0.023772055 0.025447971 0.028394901 0.041940377 0.003065508 0.018387766 0.026564147 0.009067018 0.051832636 0.019032423 0.018172633 0.015467086 0.020028403 0.012994571 0.022994265 0.02558881 0.014523764 0.010770381 0.008933643 0.013150298 0.025490894 0.026905175 0.018938994 0.034092324 0.01554518 0.031319797 0.017162963 0.014857727 0.039388097 0.022405191 0.043631526 0.037058244 0.02272831 0.031398903 0.037685198 0.019012888 0.062669946 0.008661226 0.019602942 0.014293261 0.025747115 0.007644792 0.020409963 0.020387519 0.012556427 0.015305338 0.013761863 0.028621606 0.023534899 0.015963524 0.043023174 0.013454377 0.025266643 0.038537868 0.027604348 0.014136259 0.031932831 0.040394833 0.02464112 0.011200167 0.012087801 0.006264954 0.018369224 0.028491392 0.028949511 0.018505911 0.023607179 0.022750993 0.025068769 0.022209858 0.021234411 0.030272976 0.022649251 0.0301441 0.019839251 0.018869854 0.079008184 0.020380518 0.018174623 0.013548444 0.024599545 0.008777739 0.019076175 0.007404146 0.025367718 0.018234866 0.018514921 0.028884858 0.0174969 0.016344499 0.00651639 0.005532303 0.009300779 0.008766125 0.014959502 0.020066722 0.023761293 0.017680778 0.019849377 0.022445092 0.021380043 0.020044721 0.020275263 0.016524874 0.011296895 0.017660149 0.032532894 0.015900119 0.010390872 0.023501518 0.016458927 0.015858908 0.0385437 0.015571272 0.042997035 0.016556318 0.021653388 0.007710428 Pyrrole-2-carboxylic acid 0.009779513 0.015996469 0.049738919 0.081974554 0.010015646 0.012171051 0.009501872 0.01028762 0.041717845 0.020471578 0.010728813 0.00761677 0.008530881 0.014057607 0.00551744 0.007585208 0.009970979 0.011595667 0.033116704 0.007906995 0.010099276 0.017901658 0.008596835 0.012459214 0.007822526 0.010884122 0.008988848 0.007815925 0.010262097 0.049265395 0.011786807 0.006876923 0.006190543 0.012352299 0.009181258 0.005951296 0.009771192 0.012765617 0.017326352 0.019479902 0.012587065 0.005562254 0.009310273 0.006138858 0.010110131 0.012466102 0.010766443 0.01302718 0.012363075 0.00843473 0.018627533 0.006726834 0.007162129 0.006234865 0.008889221 0.013354381 0.013908514 0.014580832 0.011986728 0.010966409 0.013150825 0.01977658 0.016555828 0.011003058 0.013996179 0.010690285 0.010877218 0.008813528 0.006846023 0.005831001 0.008867302 0.011525024 0.041755179 0.028458267 0.017223806 0.008498157 0.012409652 0.00772649 0.008906775 0.017385793 0.008343054 0.034970206 0.009490455 0.019726443 0.00695721 0.009972333 0.009368055 0.022968784 0.006769498 0.01013519 0.010062873 0.015268905 0.015224606 0.00571606 0.009380672 0.014045005 0.010627355 0.007531936 0.007898582 0.005752707 0.001442491 0.009189756 0.01101649 0.015004871 0.008512845 0.009162479 0.006262964 0.008922816 0.007908026 0.029108529 0.011573532 0.026651708 0.014299608 0.008224867 0.007877248 0.009361937 0.034557189 0.013982734 0.008890622 0.014428725 0.008803451 0.00904013 0.011975631 0.026158714 0.015129059 0.010078321 0.007549394 0.015412057 0.016570662 0.011022467 0.015477044 0.007547028 0.011077194 0.010614946 0.020327982 0.00689205 0.005397946 0.012014894 0.01801087 0.013283299 0.026561738 0.013808244 0.010008219 0.017195782 0.00813217 0.012818376 0.010852068 0.007151425 0.010350864 0.007943344 0.012464301 0.010486287 0.010474115 0.014135236 0.013041307 0.012826888 0.012365983 0.00331583 0.01024619 0.022580333 0.01497789 0.070293256 0.038366635 0.010853787 0.010809198 0.009840971 0.013654363 0.011199934 0.014604324 0.009707546 0.010941762 0.007970421 0.01305967 0.015693767 0.007917303 0.007416554 0.013521555 0.011943457 0.012859181 0.006600551 0.009261313 0.007766129 0.011766701 0.012266726 0.009205597 0.008818655 0.007393875 0.00413508 0.006791424 0.007225826 0.009216721 0.009682395 0.01126125 0.00867126 0.009768909 0.147312391 0.006896852 0.011274408 0.029571419 0.021637258 0.009141587 0.013850463 0.014303965 0.015990182 0.054038564 0.013567157 0.012162951 0.008938456 0.071648217 0.058194535 0.00905295 0.010963037 0.03252139 0.032539753 Picolinic acid 0.089283018 0.069247866 0.246261724 0.597024854 0.071887058 0.10450166 0.061391626 0.063576462 0.152365316 0.076689006 0.081770955 0.047863559 0.025021475 0.095781219 0.024000601 0.054393886 0.064055185 0.066379996 0.130642489 0.054084676 0.064674523 0.079879954 0.054223148 0.067665857 0.039846871 0.058440424 0.072817559 0.033582409 0.058789933 0.196771787 0.056200236 0.027872807 0.023559661 0.084669329 0.075649725 0.030789157 0.076394707 0.071033119 0.092060903 0.063076474 0.065807353 0.02440263 0.058384092 0.04202935 0.060797885 0.082620734 0.064903343 0.075743975 0.055704919 0.055420687 0.073310305 0.027645652 0.049094053 0.041108927 0.057166902 0.057886605 0.089036556 0.06210706 0.06115004 0.081056614 0.079268736 0.074737259 0.068690148 0.059588795 0.058506367 0.064342246 0.079335666 0.062006434 0.048146838 0.027209354 0.060630005 0.056951012 0.24947638 0.10097578 0.068362991 0.057384583 0.030224201 0.027771365 0.065179422 0.067130298 0.052814766 0.147859034 0.068402594 0.074245521 0.051082991 0.062380515 0.059502764 0.089002083 0.027576691 0.049663309 0.063145335 0.082665009 0.072190465 0.027178142 0.065550794 0.097211978 0.065684979 0.044620768 0.029355539 0.042585826 0.007751875 0.048450565 0.069625429 0.064930141 0.042500247 0.0701506 0.043038371 0.055402729 0.02634118 0.098544133 0.09918126 0.095393428 0.078097001 0.047498925 0.052417825 0.058584983 0.123599016 0.066946987 0.062603934 0.079849426 0.044213373 0.041183809 0.078393985 0.095371971 0.069555605 0.045910028 0.032232906 0.114181449 0.103653281 0.064929223 0.114045728 0.033866531 0.083325728 0.059654371 0.061984332 0.029334552 0.030424758 0.057453214 0.130120256 0.078365919 0.108128599 0.063134509 0.052449946 0.064433026 0.058527717 0.100959377 0.076361656 0.043264736 0.0616182 0.045207096 0.095318576 0.072603811 0.06536547 0.090860472 0.069286204 0.069293175 0.049780495 0.026570642 0.062195947 0.111937306 0.059525142 0.454234796 0.148672921 0.06308547 0.023622862 0.063371068 0.061212459 0.078848691 0.093084509 0.049086708 0.073362317 0.05229523 0.04923806 0.07603876 0.043292881 0.050302573 0.07099177 0.045874374 0.066944638 0.037216211 0.054167539 0.072362625 0.072948624 0.078755344 0.055750589 0.056915486 0.046929955 0.018276185 0.026463419 0.030770395 0.059482472 0.060519499 0.066539697 0.056583871 0.06610978 1.119992549 0.027433789 0.079207854 0.102630841 0.085923384 0.071824797 0.119323738 0.063508929 0.064332241 0.208800841 0.085364438 0.064587332 0.0580275 0.423868198 0.26198526 0.056155325 0.075451836 0.113126466 0.119184018 L-methionine 0.187651932 0.333535007 0.128310704 0.206389092 0.437374635 0.317206915 0.229330315 0.305783863 0.147904234 0.303583871 0.261981842 0.162277989 0.180304305 0.179421875 0.200046184 0.210057368 0.348984255 0.137801755 0.204665717 0.285790534 0.288050089 0.156846439 0.233909664 0.205531411 0.240263178 0.170966763 0.174377398 0.256382271 0.307971485 0.207705998 0.253332987 0.355803614 0.261501456 0.291512706 0.19089337 0.203582974 0.11809026 0.126131474 0.27402051 0.214089397 0.185402524 0.257741863 0.219910881 0.168749545 0.142694072 0.299663095 0.265720185 0.259745953 0.278339193 0.224822889 0.182310531 0.29734882 0.169581686 0.18295266 0.198295849 0.141489895 0.148795974 0.308428227 0.274502386 0.1591111 0.217896319 0.250747783 0.233412269 0.210989851 0.214649934 0.256151274 0.224615147 0.180390858 0.1610161 0.232348231 0.153378033 0.250756649 0.282206134 0.12784181 0.193152164 0.369985965 0.257685941 0.154517925 0.215955841 0.191352429 0.211231534 0.159089081 0.161809772 0.279988895 0.205082366 0.298024658 0.165540147 0.211018312 0.212847358 0.27865369 0.334755185 0.3559123 0.178198708 0.200337007 0.153403204 0.296440266 0.146554536 0.209623604 0.152195199 0.247373297 0.026127008 0.183038286 0.335786186 0.184390637 0.231039267 0.636145804 0.229879962 0.245476827 0.198233796 0.188333549 0.27868622 0.165163298 0.220902019 0.138307286 0.192380533 0.166367077 0.163207898 0.188793448 0.130188821 0.206507436 0.152054257 0.292602399 0.119585325 0.320686712 0.097193191 0.177803792 0.142366985 0.230537809 0.229229161 0.213541242 0.209655178 0.19054099 0.262319465 0.336239352 0.234970413 0.203052602 0.173145759 0.199863989 0.188073322 0.125096075 0.251809301 0.202458408 0.12783715 0.1317514 0.211828469 0.14221317 0.221417319 0.421848989 0.188204986 0.346468511 0.317706204 0.196909646 0.14970951 0.179095778 0.171482904 0.192213852 0.165617626 0.07796413 0.209595646 0.352232564 0.257079625 0.248146699 0.172408267 0.178243841 0.233831348 0.352988846 0.224533478 0.244908002 0.150655077 0.226877202 0.18098252 0.160063357 0.272854153 0.235854648 0.322215854 0.179928891 0.194928959 0.186964817 0.338431219 0.178656123 0.170361762 0.218779053 0.296783999 0.199518523 0.16841252 0.232051619 0.14796179 0.182412044 0.15666633 0.105884224 0.139192147 0.264149008 0.251076214 0.320009898 0.257526309 0.231750746 0.196679768 0.229121275 0.178464482 0.161365513 0.127226555 0.219852628 0.581555886 0.400717348 0.177722286 0.191121493 0.374777144 0.21240268 0.084005595 0.269543255 0.239214763 0.31702503 0.354997476 0.344584346 Octanoic acid 0.004579178 0.009109217 0.006692238 0.004624643 0.01263785 0.006956899 0.006040934 0.011444386 0.005540781 0.010490238 0.011501835 0.006788756 0.01090755 0.00740217 0.010081006 0.004049954 0.023933047 0.004843212 0.004479669 0.0182635 0.008857433 0.018404167 0.006099592 0.005417615 0.021428553 0.00352848 0.003778708 0.015700293 0.010330231 0.005366711 0.006210397 0.008812214 0.01081917 0.00667504 0.00386288 0.00601722 0.004373536 0.018895772 0.008467176 0.004733889 0.003996606 0.005021589 0.004442075 0.006570192 0.009852936 0.005619672 0.010244179 0.005768235 0.015273911 0.008216314 0.015862984 0.013720074 0.003110214 0.004982257 0.010167767 0.005619721 0.004170791 0.00587907 0.004625097 0.005227568 0.009392308 0.006207535 0.003786079 0.007520102 0.006636385 0.005078957 0.006541604 0.003906546 0.005189205 0.007164217 0.006576175 0.00393667 0.005857918 0.003998936 0.005787966 0.006565255 0.011008258 0.007058419 0.004304419 0.003074681 0.009118697 0.003958542 0.007388233 0.005467129 0.00612486 0.024573706 0.0091149 0.009613345 0.010008126 0.006852207 0.006276104 0.035282377 0.008994641 0.009542176 0.005355298 0.006966247 0.005043961 0.005759724 0.009421256 0.005785046 0.00126093 0.004922942 0.014769164 0.003735755 0.014630209 0.003758366 0.030381993 0.008596391 0.00628989 0.008765717 0.008267375 0.005180359 0.006692332 0.004246363 0.005491471 0.005176779 0.006331693 0.008262923 0.022098697 0.006006929 0.005905684 0.014520802 0.005467728 0.024495723 0.00494679 0.071737036 0.024005062 0.009636895 0.006608387 0.005049165 0.022956465 0.007916479 0.009866187 0.005182944 0.009823896 0.010227518 0.012565301 0.004949491 0.008299704 0.006241317 0.006601617 0.004746462 0.006732701 0.008338918 0.007041777 0.003884846 0.012908146 0.004460152 0.009261355 0.009374999 0.009012313 0.005984604 0.004007105 0.006271466 0.008634368 0.00451625 0.00263166 0.002532879 0.006974461 0.018530715 0.014976168 0.013547118 0.013309082 0.030777752 0.026862572 0.005936737 0.005186946 0.012998904 0.008183783 0.011382891 0.007623896 0.007005301 0.020962984 0.006266413 0.007866241 0.006023315 0.007293938 0.004455153 0.008015791 0.006433852 0.007053386 0.00891996 0.0105102 0.00812294 0.006953513 0.004372651 0.005373798 0.004791575 0.004889449 0.011497987 0.015581923 0.020336781 0.018681007 0.008666583 0.018905503 0.019560065 0.011825845 0.010202351 0.006327444 0.010803619 0.006371062 0.011018585 0.009039423 0.004506549 0.009376607 0.00968868 0.034107541 0.004964603 0.005160951 0.006423643 0.016983304 0.009929073 0.009195318 0.007781107 Cholesterol 1.324473117 0.994693639 1.38500378 0.973773799 0.909372309 0.979851001 1.656073648 1.238653228 1.29276125 1.780587462 1.055547117 1.505566924 1.486471796 1.526075273 0.97696969 1.103987785 1.181425715 1.19093642 1.03030233 1.086301822 1.267253129 1.468011877 0.766367441 1.627142731 1.459039845 1.484741845 1.143564154 1.679152037 1.478948449 1.193257097 1.468751194 1.938616277 1.066627741 2.90217501 1.294727575 1.357368565 1.102798274 1.239208259 1.894938692 1.122186894 1.33961283 0.742976206 1.045995085 0.723874703 1.897666786 1.114743172 2.75447745 0.899789068 1.251471089 0.924791902 0.904022486 1.467319931 0.585776022 0.829655329 1.065388426 1.530355715 0.69538945 1.053310664 0.82828373 2.175695348 2.01132666 0.731668463 0.661124759 1.088799424 0.824412972 1.107667935 1.120847729 1.023819581 0.509760072 1.143862522 1.562951004 1.087477455 1.3008295 0.928075904 1.229772577 1.705839697 1.293276644 1.483520655 0.908640889 1.307760574 1.950257344 1.237929797 0.977599622 1.92768256 1.361573349 1.169923392 1.996787972 1.731886774 1.858021016 1.14107496 1.361365451 1.609527692 1.173651594 1.748290287 1.782037491 1.792295038 0.901434509 1.385918896 1.371580357 1.290558118 0.009912644 1.271105304 1.634838316 2.184105641 1.140050551 1.869051338 1.004582067 1.284906351 1.04572729 1.304990566 1.35430352 1.131174932 1.763962129 1.080780785 2.375527988 1.675745113 2.076515912 2.326882645 1.460716262 2.357616192 1.542634815 1.345757789 1.855052557 1.4398752 1.590829548 1.414959117 1.610022765 2.5497918 2.063387242 1.713285011 1.550366689 1.960953272 2.49267915 1.734362294 1.384432327 1.469265917 1.5496769 1.063602963 2.161097815 1.975491604 2.074515151 1.826559365 1.291447322 1.402121684 1.891294608 1.644856952 1.628940532 1.34997269 1.626962548 1.967041088 1.589121051 1.392217057 2.209439392 2.113279828 1.846459846 1.555705377 0.874161563 0.821616074 1.211373704 1.050723945 1.447865896 1.814812909 1.290546382 1.542126832 1.381608839 1.13048571 2.382590438 1.968276846 1.346411105 1.558434131 1.981898479 1.336763864 0.817455979 1.309194307 1.44569455 1.336722206 1.965072999 0.99869586 1.599448153 1.345823322 1.325076421 1.63732348 1.261065856 1.371368191 0.70569518 1.477235283 0.429344916 0.639230356 0.953050569 0.693107867 0.892657051 0.901563175 1.251071243 1.940830952 1.083335201 1.0860729 1.020756466 0.904121502 0.923223029 0.84342266 0.64177224 1.159681433 0.954480932 0.864385463 0.991370566 1.079559102 1.840636044 1.33408935 0.878948605 1.083128615 0.941331013 0.911148009 1.730548474 1.387648691 Nicotinic acid 0.181881036 0.167720557 0.122481795 0.103344227 0.185257052 0.267886664 0.569111943 0.184041171 0.077030974 0.125999553 0.151236883 0.265719229 0.142583439 0.277202567 0.079595001 0.278506185 0.103778423 0.385101024 0.103827007 0.194857907 0.444152939 0.202874447 0.094833047 0.254343418 0.191714978 0.462707826 0.054926001 0.183457594 0.714386746 0.095242909 0.166430353 0.100197704 0.109467704 0.380702302 0.286382917 0.094613499 0.219794966 0.288085241 0.173836841 0.178168035 0.218832057 0.136741738 0.317110855 0.251280393 0.710460751 0.270061162 0.351710306 0.233127673 0.309366339 0.047004198 0.549934072 0.115959797 0.119538976 0.166854646 0.238729136 0.546286374 0.249698375 0.398954448 0.304322331 0.274009966 0.389059049 0.325189354 0.144972516 0.138763345 0.21656517 0.395840281 0.639756907 0.665886155 0.045788311 0.19124501 0.552373183 0.232205818 0.073400619 0.23175678 0.353133735 0.448622641 0.105408012 0.223060603 0.211251417 0.308911866 0.105578123 0.134680881 0.150101703 0.434854784 0.297822992 0.329499951 0.34522893 0.241005907 0.137029787 0.600557444 0.227910699 0.070125474 0.307166707 0.234821615 0.502514875 0.153135445 0.308974908 0.273654652 0.088180304 0.17630178 0.470937095 0.602018839 0.322806281 0.268496832 0.189623601 0.424965362 0.18409217 0.314257876 0.333098166 0.180818684 0.316777623 0.173889659 0.235395564 0.649192708 0.449107243 0.329153692 0.187235009 0.312814682 0.502826647 0.35389104 0.032444047 0.098634256 0.079239381 0.205320296 0.181782996 0.158600367 0.123337646 0.236354012 0.217680752 0.223116705 0.068082841 0.138245439 0.137544147 0.293403156 0.515279517 0.147467178 0.256433458 0.18989412 0.175364605 0.227713486 0.250306382 0.179732129 0.383852489 0.275678548 0.215484081 0.568417373 0.035341079 0.188586029 0.447507257 0.231586368 0.342185493 0.168800163 0.039055264 0.176771364 0.258021115 0.104286143 0.349485531 0.346763031 0.203793159 0.173508693 0.409626049 0.093254922 0.122733205 0.476523591 0.139387481 0.517684463 0.187824225 0.236964006 0.353758427 0.24100004 0.045207422 0.387844761 0.260443142 0.219292878 0.383493497 0.229619633 0.375916395 0.292958423 0.166320754 0.235423209 0.259435028 0.095608151 0.263628094 0.195021778 0.481157097 0.588815346 0.120920092 0.097391197 0.361347875 0.372121317 0.479845999 0.342588771 0.455885364 0.076581621 0.087142347 0.108156611 0.4081596 0.077756792 0.196107221 0.364431721 0.278669594 0.607701503 0.218102183 0.130593694 0.218265657 0.315207934 0.236693706 0.391000566 0.11566008 0.078414653 0.458581723 0.462365546 0.190328445 0.263986642 glycol 0.626938868 0.476337326 0.511887947 0.514351656 0.497849655 0.570183306 0.538712193 0.52933302 0.521933682 0.660821571 0.551266109 0.597378472 0.633193118 0.607473445 0.612556748 0.482051047 0.506796808 0.639712244 0.540544429 0.580502141 0.563927202 0.554446568 0.444316578 0.509088453 0.496008373 0.53358345 0.419096282 0.542964689 0.517157897 0.490978469 0.558137914 0.822083346 0.469105333 0.625297061 0.51359543 0.498802497 0.5382008 0.639221221 0.810362254 0.40420297 0.697879277 0.531996208 0.697259267 0.651131729 0.515462103 0.53413645 0.539936682 0.668202969 0.463324056 0.748861085 0.573268046 0.689005217 0.681653504 0.546046214 0.731758608 0.594407758 0.8509976 0.518838164 0.586629555 0.633513074 0.668312585 0.523513551 0.360014471 0.469669419 0.44435379 0.535430032 0.950463243 0.530562194 0.421427141 0.463096458 0.530801519 0.474333226 0.419786054 0.49384508 0.467597534 0.498756773 0.482790121 0.464585689 0.510638511 0.503979357 0.590723803 0.405154298 0.518767443 0.668134692 0.446886233 0.587953192 0.492928297 0.629898794 0.522695104 0.441009745 0.496558093 0.959209702 0.526210397 0.448459361 0.598285006 0.572564379 0.472531784 0.354893715 0.516487862 0.377415802 0.149933425 0.521831226 0.521573226 0.453200655 0.548661051 0.527391618 0.442066754 0.591362816 0.529377936 0.63532937 0.643178318 0.502504918 0.646969071 0.518664136 0.507026854 0.512989075 0.668679681 0.629007171 0.51418353 0.535293198 0.466671576 0.637446849 0.518645719 0.589053836 0.688929636 0.520904306 0.553673771 0.836358208 0.614861449 0.462547652 0.541506999 0.647657921 0.617002111 0.464078074 0.678714076 0.45016747 0.418417637 0.413530064 0.522091279 0.605973082 0.549532139 0.536858598 0.457897659 0.572942067 0.594143625 0.531975221 0.734436308 0.425769162 0.559807242 0.468644208 0.573178581 0.61885519 0.467235384 0.808532188 0.697734941 0.452623532 0.418567639 0.297212074 0.500233317 0.552358399 0.597187297 0.632027414 0.453782568 0.538150136 0.635643325 0.54899087 0.50504447 0.680787247 0.481029511 0.690033002 0.526966961 0.53043875 0.492273886 0.71082348 0.713199023 0.597870738 0.615448604 0.484223206 0.750761263 0.444835573 0.594962858 0.78307914 0.509510673 0.71745415 0.528232836 0.526553054 0.569639164 0.445146565 0.55342253 0.575506956 0.66765506 0.45940777 0.5710008 0.607434226 0.504685854 0.644375392 0.463459591 0.680373998 0.512793392 0.552615824 0.451984309 0.58061886 0.50745799 0.440920337 0.502392213 0.62424735 0.622761679 0.663459785 0.56668665 0.542660186 0.48302183 0.813436237 0.473829732 0.507466868 Benzoic acid 0.023699962 0.046547583 0.027581651 0.097300027 0.050701973 0.019680161 0.025919097 0.079050134 0.039704489 0.045265648 0.030654203 0.04503563 0.050777535 0.067158017 0.058254086 0.023136538 0.043862436 0.04883916 0.025654603 0.033720875 0.027416645 0.023237549 0.041138505 0.030574951 0.093251868 0.051219734 0.043213471 0.063730899 0.063275897 0.03361978 0.071053116 0.095460056 0.029160522 0.130536961 0.028758602 0.046949762 0.044021161 0.077464625 0.070478067 0.060891385 0.034362939 0.038925238 0.051121803 0.051193301 0.223407535 0.070831691 0.042385198 0.046471348 0.047611894 0.063285067 0.096447 0.207213198 0.046042186 0.084642057 0.065915155 0.075608612 0.063548937 0.056803867 0.378521689 0.055134942 0.13811043 0.030985439 0.021516568 0.074418704 0.075162831 0.070484035 1.599898859 0.032381577 0.038801871 0.101981381 0.024014861 0.04980206 0.044071202 0.026973795 0.032853384 0.061101701 0.056366517 0.043331622 0.027853516 0.042569673 0.045697549 0.046893785 0.025856414 0.0500468 0.047778033 0.095916927 0.060415301 0.046865658 0.091791117 0.012886274 0.062676822 0.040935022 0.075079604 0.094263919 0.050488956 0.033006728 0.035309199 0.045984227 0.043883796 0.069891187 0.007508757 0.052059684 0.034569135 0.039936133 0.047282174 0.045984675 0.047362379 0.071366751 0.053178138 0.051211692 0.062959812 0.045586068 0.070812709 0.016798846 0.046315852 0.040522279 0.045173216 0.077246178 0.048943335 0.080736354 0.034348465 0.15442704 0.049468614 0.080795012 0.069186134 0.060343193 0.090356508 0.085184303 0.056809482 0.05972819 0.059713952 0.074011385 0.116281633 0.054439407 0.057042716 0.072997546 0.049914549 0.033880829 0.071363851 0.05432954 0.062112852 0.072387209 0.054677812 0.050094128 0.05155145 0.038801512 0.135383994 0.063238615 0.068330979 0.080936329 0.083234379 0.066661633 0.057483488 0.071389673 0.046515471 0.064385498 0.014131302 0.020281245 0.067667526 0.073662936 0.029136144 0.106924563 0.060094124 0.056496083 0.072919215 0.047093869 0.048825818 0.056582492 0.047645397 0.08866829 0.026016942 0.058161183 0.062320527 0.050463163 0.136906277 0.050407668 0.430068664 0.069587498 0.161625766 0.045131864 0.081077097 0.058685729 0.609424752 0.067684882 0.028085365 0.043160725 0.039539473 0.035616681 0.282039688 0.158393435 0.750442215 0.318618378 0.263397154 0.882643765 0.321057901 0.31220562 0.168652187 0.938522469 0.046322245 0.35983141 0.281148451 0.172585682 0.666387158 0.051499032 0.03131487 0.359087244 0.064911168 0.443573175 0.067087533 0.069344451 0.158984327 0.354500625 0.062697563 0.032154089 Palmitoleic acid 0.01398585 0.006044478 0.091104946 0.004938076 0.02248817 0.057267457 0.014243348 0.0063204 0.115916335 0.013328671 0.010157342 0.149860908 0.30796838 0.043384559 0.020289635 0.016177534 0.014651857 0.002989016 0.014932133 0.006219197 0.004304298 0.004824074 0.007377273 0.029494385 0.111001057 0.007740199 0.01238085 0.002731039 0.011965447 0.043242076 0.008267527 0.01377606 0.004412994 0.096847917 0.022471594 0.128221039 0.079076119 0.027034141 0.184302509 0.044825627 0.030772415 0.0542971 0.023570318 0.013342301 0.026131623 0.026569494 0.786601178 0.02179578 0.062488656 0.018100832 0.069157391 0.016815693 0.07546334 0.029378993 0.028305933 0.133241699 0.083103709 0.089603068 0.014316834 0.042188419 0.163784845 0.064674877 0.04264535 0.018515843 0.009136073 0.017897955 0.033091496 0.039719709 0.1759479 0.018498994 0.033986125 0.006110093 0.007158319 0.001513339 0.044086511 0.008349175 0.057887411 0.052170383 0.012698387 0.032051309 0.012282358 0.008915628 0.028341157 0.236128215 0.021097892 0.01701978 0.037480061 0.008155758 0.025371462 0.009534737 0.05981235 0.009523653 0.006332921 0.01615593 0.043933338 0.05781223 0.04474694 0.005059656 0.04039705 0.032177392 0.019263597 0.138650016 0.003556267 0.017633851 0.188032033 0.001707116 0.034931841 0.011026732 0.059261538 0.060841915 0.008598596 0.006474965 0.067942024 0.043482601 0.069350799 0.087361961 0.093213934 0.118695075 0.008254365 0.014850577 0.022481094 0.138116841 0.077575254 0.008745508 0.007112988 0.009362575 0.006061376 0.217051598 0.014619418 0.077307889 0.009100403 0.162438941 0.098655824 0.07657345 0.044178331 0.042728398 0.024015102 0.024564 0.014307962 0.04444252 0.050520976 0.011509296 0.071262158 0.026793109 0.040466348 0.042594357 0.012349314 0.094671721 0.014913623 0.006753652 0.1106532 0.08497215 0.006859074 0.066675419 0.019084954 0.014538748 0.003645545 0.012474221 0.048747527 0.02863322 0.065707612 0.02397335 0.014391656 0.01123353 0.262618247 0.012705194 0.033492644 0.0103211 0.087206302 0.008332436 0.038335492 0.030042938 0.022003985 0.020025563 0.081071198 0.094584666 0.36368263 0.059512943 0.096527476 0.063148438 0.018894692 0.1233853 0.099130403 0.020828698 0.028571006 0.069372717 0.048796091 0.050390799 0.102176426 0.059310599 0.095583356 0.10658604 0.163487562 0.21423725 0.092184548 0.13711701 0.043134253 0.225781243 0.032816532 0.08446585 0.059440996 0.071450332 0.01771484 0.011185714 0.011047738 0.023022335 0.008975288 0.057906114 0.009970391 0.016993575 0.010869068 0.009282646 0.02133972 0.1120379 2-aminobutyric acid 0.301984957 0.578368567 0.367775621 0.381306892 0.391192077 0.747795018 0.521517661 0.526907118 0.648876554 0.634204904 0.553777212 0.304284028 0.48305297 0.471104786 0.441935346 0.304776544 0.800450454 0.216534395 0.526859937 0.382086144 0.55201362 0.250497697 0.410051821 0.263795389 0.308607941 0.409101369 0.388688044 0.485562026 0.71955756 0.362310789 0.653760284 0.649739566 0.384582818 1.307255271 0.228194201 0.472144832 0.20288503 0.293496101 0.536333558 0.926045894 0.236147894 0.392055802 0.437383548 0.313598451 0.288888791 0.55124042 0.222601487 0.518596011 0.288437608 0.41470639 0.417554884 0.519944933 0.527614828 0.366705577 0.235271313 1.073646292 0.450172067 0.425073623 0.356211957 0.074654448 0.462952999 0.663586004 0.248269153 0.282401403 0.238690327 0.482291659 0.501356634 0.150904621 0.37070433 0.283762579 0.280928056 0.55652184 0.348961532 0.392953072 0.293232092 0.823146577 0.667795102 0.415689405 0.413631167 0.28325206 0.257451353 0.532579864 0.208469042 0.777985063 0.399259519 0.685689994 0.620784075 0.3851975 0.553111674 0.50242637 0.589576838 0.390181303 0.29676471 0.286121537 0.542916584 0.676180606 0.310740856 0.440948249 0.128922582 0.566572177 0.052143238 0.524807605 0.608929319 0.391577692 0.631829107 0.493494389 0.789721569 0.484131544 0.331785873 0.802127516 0.356982247 0.419163594 0.453308899 0.445015569 0.518232424 0.489632313 0.343655453 0.642354901 0.439142047 0.656927523 0.351529973 0.480221293 0.36445395 0.630590833 0.151808367 0.504362554 0.266679342 0.691170276 0.544616479 0.533796756 0.373956605 0.364467436 0.745494945 1.126293258 0.689893255 0.631178985 0.41751336 0.337109416 0.719476793 0.413150545 0.804744056 0.582968379 0.272948066 0.611846297 0.422081516 0.202793457 0.586579844 0.499674965 0.345657018 0.441394672 0.833425243 0.983996894 0.361097893 0.423031271 0.358004437 0.358978592 0.20616778 0.268054716 0.561335344 0.575328563 0.234369465 0.486721016 0.544918586 0.347006687 0.589442436 0.350227677 0.622892581 0.413225642 0.410374244 0.616186004 0.345641633 0.279950794 0.539053236 0.509029216 0.403820029 0.396862785 0.131553239 0.653024661 0.414906624 0.477544994 0.318078201 0.477732735 0.459256821 0.37267566 0.393736126 0.302615376 0.358598317 0.311679586 0.402430263 0.438643891 0.498601552 0.381712889 0.465405172 0.756630774 0.373581614 0.468394499 0.256119923 0.497895302 0.565968596 0.559579828 0.516251532 0.524849689 0.699833839 0.547251266 0.577999479 0.285439936 0.354451545 0.982055203 0.239745548 0.434771223 0.470577815 0.449614609 0.693807809 0.74043465 Threonine 0.787047801 0.884642862 0.564583687 0.626945801 1.350751646 0.863513145 0.676359892 0.992962003 0.644896478 1.67310762 0.858987307 0.62564931 0.744468681 0.673954993 0.636801802 0.67846113 1.1098916 0.628107886 0.997576836 0.900808862 0.854301535 0.339443558 1.388184374 0.651495004 0.710344387 0.615069255 0.753805485 0.990002461 0.836110827 0.608844652 0.881174786 1.32785491 0.659388656 0.719128588 0.601186904 1.120314605 0.580744838 0.483170042 1.245950887 1.118231626 0.655493104 0.824519157 0.793861754 0.897901703 1.083100934 1.719724761 0.818828284 1.610985561 0.652499169 1.138062875 0.685727309 2.241213829 0.712667636 0.675931082 0.792632332 0.553134012 0.600614095 1.775908543 0.910230089 0.462819369 0.786558835 1.456327446 0.75523315 0.822518665 0.932192549 1.44644211 0.510257885 0.770617517 0.678981761 1.205831822 0.443966631 0.867210814 0.858681475 0.666503724 0.661361324 1.097273481 0.765024746 0.430872269 0.473636928 0.639207056 0.72908551 0.775221706 0.351789354 1.235812379 0.769773501 0.822645522 0.539867021 0.600461141 0.621021852 0.70215572 1.174949925 1.142588359 0.683415372 0.579432512 0.534585336 1.056026912 0.986789689 0.721522634 0.463806926 1.2091972 0.074569304 0.758157369 0.743245471 0.471622082 0.738900627 1.703847876 1.030805731 0.900723949 1.102838481 0.764544071 0.688473597 0.604178418 1.275731857 0.532081699 0.529802119 0.660669874 0.894965255 0.594730786 0.429911491 0.728884931 0.363540977 0.760784189 0.432948756 0.640676641 0.398507725 0.948687696 0.615220397 0.638951419 0.831887418 0.829258591 0.70417905 0.583537383 0.873042853 0.959887866 0.890477283 0.53247893 0.703640884 0.707663023 0.74315374 0.497057492 0.951715534 0.958697808 0.263272608 0.443479062 0.722087107 0.354809784 0.816914799 0.956620294 0.71669898 0.895938756 0.972819387 0.652957035 0.570572776 0.624609808 0.484977301 0.845220937 0.411486655 0.240611795 0.661941518 1.302452885 0.683299852 0.795338388 0.865723084 0.62969801 0.924432527 1.045570373 0.68493299 1.010824217 0.466430682 0.864316463 0.616857406 0.548003954 0.698897309 0.901061605 1.033130345 0.609598612 0.62243245 0.95729703 1.046393372 0.797310828 0.714399133 0.725843257 0.927556728 0.872499729 0.742754727 0.731461202 0.660276681 0.638787845 0.750827417 0.662960581 0.735326579 0.992102103 2.552019937 1.619195883 0.967446285 2.302730691 0.825558548 1.050249517 0.89411391 1.094610687 0.414423643 0.627308386 1.586128443 1.230591259 1.097957578 1.260107142 1.125652107 0.782601521 0.782003796 1.757946191 0.881000234 0.766489112 2.106672432 1.209835405 2-oxo-4-methylvaleric acid 0.0509888 0.043345984 0.043667688 0.05465583 0.089013735 0.072669316 0.062544076 0.071489508 0.034866313 0.058053918 0.071024644 0.064061651 0.043470479 0.080091395 0.041966391 0.063147222 0.064092948 0.031786576 0.065533751 0.108008536 0.059459322 0.050444819 0.053454733 0.06665726 0.049456627 0.053020697 0.045341995 0.065334119 0.059085334 0.054462115 0.070229518 0.069164847 0.057904562 0.114291838 0.053452536 0.047615434 0.038910876 0.024788881 0.062089495 0.075080929 0.042251567 0.071722758 0.040264017 0.027317551 0.022982486 0.037855063 0.091500738 0.028612048 0.066476613 0.041852768 0.049172139 0.030867616 0.065466226 0.03271029 0.039932793 0.138224405 0.072810026 0.073839523 0.021875888 0.050182466 0.106217984 0.044735474 0.033462984 0.066395186 0.042685015 0.061672856 0.094679289 0.049762098 0.039199068 0.005475523 0.058464452 0.036717225 0.064693196 0.041776408 0.050195482 0.099305183 0.066297127 0.086966638 0.052903266 0.056822465 0.051337696 0.056173346 0.038946751 0.075647228 0.063487445 0.092432743 0.081232071 0.089497709 0.065443981 0.101885076 0.06018956 0.088565011 0.063431466 0.053510845 0.045342073 0.080493728 0.024859829 0.031294305 0.033027383 0.058095657 0.00368594 0.041719377 0.101594233 0.071695525 0.067687624 0.059936338 0.060387195 0.059774777 0.038234212 0.041173206 0.063342097 0.056758078 0.053287474 0.030794545 0.064680174 0.038197254 0.045444355 0.087867495 0.031859593 0.065080991 0.052476654 0.084808254 0.077353486 0.0917983 0.028265847 0.038043834 0.048393311 0.09926722 0.072218452 0.034860509 0.054414443 0.039367909 0.064812995 0.090645831 0.057352572 0.054994323 0.052925179 0.061649499 0.076015024 0.058073971 0.052810059 0.054765911 0.020939364 0.049647156 0.045402225 0.054108268 0.045588465 0.080338101 0.062371167 0.076862556 0.086169179 0.061737465 0.027761013 0.049739668 0.047229562 0.025440034 0.050283697 0.027104364 0.063271919 0.035476522 0.064491615 0.061412796 0.035974931 0.061566647 0.052910752 0.049969821 0.060811375 0.064420618 0.03646995 0.057436147 0.04371951 0.028929869 0.036382146 0.052219245 0.070015285 0.045295689 0.035673563 0.047675001 0.073636121 0.037281773 0.039091428 0.058424784 0.050009454 0.040427106 0.044088424 0.069514195 0.039893502 0.051396462 0.032340685 0.023951552 0.025859893 0.005312817 0.009306543 0.045242501 0.006817505 0.01509361 0.018164996 0.058741571 0.013822649 0.054405394 0.038173063 0.015209796 0.073018302 0.091846675 0.025795431 0.042471195 0.097575975 0.059921883 0.005257841 0.051983885 0.019840955 0.033380028 0.113670998 0.100396117 Glycine 2.309534317 1.714462849 0.591785556 0.491400461 1.412876636 1.57459584 0.971322896 1.097544969 0.841799067 2.301824474 1.051612256 0.629381985 0.836144246 1.731328879 0.639903521 1.898089726 2.16167918 2.552196574 0.846475176 1.367652498 2.196634546 1.975615675 1.738205785 1.730977279 0.929286784 4.067847476 1.345833308 1.863141127 2.202193036 0.909737008 1.529623046 0.733754735 0.740130809 1.796997192 2.261379599 0.634315834 2.096249837 3.508936852 4.509797248 2.373208108 0.311533945 0.484164571 1.797012767 1.258580241 1.644961786 3.450351571 1.821298104 4.827585657 0.990480328 1.940544706 2.562301841 1.325318606 0.571137402 1.348317859 1.179839882 1.275957291 1.041018466 1.660738328 1.177490276 1.658754289 1.102531246 1.179740788 2.268417323 1.030708438 2.602485033 2.743254717 2.97645189 2.363662917 1.802418355 0.931294572 0.871753227 1.854149031 0.77603086 0.854691644 0.873834637 2.563064946 1.347130342 0.611293018 1.008285436 1.465272433 0.747577516 0.563139617 3.177217751 1.874545364 1.747913582 1.756329829 1.191957062 1.28310762 1.719911267 1.270508968 3.661347843 0.388569562 0.995629663 1.122546985 3.204198881 3.247444736 3.495026851 3.82000012 2.416589999 2.106786785 0.147332028 2.621820047 3.064492706 3.186303813 1.170923023 2.605856026 1.59608046 1.326782463 2.427621346 1.221873992 2.597108706 1.602656567 5.204302575 2.185785891 1.419887597 2.257433294 2.765195882 1.65775159 1.764652526 3.196279559 3.580354728 0.423219185 1.108050541 0.953383097 0.516324587 2.684617027 0.813846053 6.818885112 2.293356084 2.992333596 1.868951064 0.892514313 2.490822441 1.723615268 2.260578062 0.565432582 1.576435691 0.745097102 1.928054913 2.331521112 1.467432304 1.705841025 1.826432138 0.992235041 1.773296321 2.64777584 1.686696797 1.83799403 1.988852933 1.703142257 1.939660874 1.299410191 3.825294128 2.380294231 1.374574171 0.602230636 1.062297342 0.757070063 1.568758161 2.672145629 2.454032996 0.396884171 1.035059132 3.551668575 0.928673784 2.252109471 1.379376241 3.122144826 1.642764992 2.244971548 3.29003909 1.390611896 2.096898013 1.10567528 1.811222441 1.768477522 1.92466759 1.772284485 1.683328566 1.510261344 1.647151358 1.34919066 1.012998614 1.740665915 1.621680607 4.792766819 0.267996253 0.4299354 1.116094559 1.009673007 1.026503681 4.209896519 9.617558312 3.325655087 4.640071215 1.937781339 5.385721436 7.29055954 1.422598443 3.103967657 2.072738485 1.168790957 8.677199691 2.705122842 1.648976835 2.318281494 2.012882301 1.234158418 0.729422343 4.540937251 1.529020574 2.60972165 1.483503812 0.913985973 d-Galactose 0.019955925 0.045572946 0.025458601 0.085334416 0.061005956 0.059255586 0.067780416 0.061759731 0.025875025 0.05692365 0.03184037 0.028584741 0.045584693 0.036759388 0.183977268 0.038842893 0.054387501 0.019556305 0.040439058 0.034081068 0.024508899 0.182708011 0.043848595 0.026923508 0.053271352 0.023509026 0.016417336 0.040727571 0.043721025 0.033133756 0.02013184 0.092743609 0.050704949 0.03589458 0.045981185 0.047293019 0.067010084 0.014233628 0.012267161 0.04146629 0.035832039 0.039293901 0.030560201 0.019387583 0.029950239 0.036920333 0.011058014 0.036940444 0.069752219 0.020361157 0.021855649 0.052108099 0.107130126 0.016734209 0.045626432 0.020873693 0.04568343 0.099798955 0.014087596 0.046437955 0.078789267 0.048108568 0.024454567 0.072537717 0.003721874 0.066605426 0.026980086 0.028013912 0.011662845 0.032613427 0.033772013 0.033564435 0.037340591 0.021318726 0.029325453 0.018440982 0.046725876 0.021228184 0.044077906 0.026036048 0.04157761 0.041683695 0.036132743 0.021354466 0.038345222 0.029904179 0.038231284 0.033762853 0.047989668 0.143059841 0.048370073 0.043160046 0.051061704 0.03272656 0.02691085 0.024296111 0.02430967 0.019873961 0.08830915 0.030105508 0.001219223 0.036991022 0.016641161 0.030950503 0.034238244 0.025673782 0.023642108 0.028970421 0.009210342 0.02412429 0.029944692 0.031105764 0.020498598 0.032412524 0.042008195 0.023099048 0.039226997 0.024378525 0.054444868 0.022270763 0.021483094 0.075299243 0.044511907 0.034670088 0.028383747 0.026201388 0.034307399 0.0501412 0.055936493 0.028000475 0.015339061 0.031604425 0.031573808 0.040540669 0.034704812 0.091094513 0.024591639 0.063242521 0.048303405 0.057508008 0.036437812 0.043222972 0.032893006 0.025479163 0.026408987 0.022085702 0.013465768 0.03640053 0.068513655 0.013112577 0.030323464 0.15407164 0.019163063 0.025735759 0.032662937 0.038425976 0.024082589 0.011490978 0.023277641 0.021420839 0.058726265 0.073845567 0.05690242 0.036820697 0.022649499 0.028159098 0.08415733 0.087655157 0.022758453 0.102010143 0.042484562 0.020961072 0.024682532 0.034165797 0.034754648 0.02506884 0.036374283 0.02277315 0.025647352 0.040027307 0.038285625 0.040086724 0.040250446 0.049776523 0.052327575 0.027826476 0.022870775 0.044801593 0.015580935 0.032948359 0.045088276 0.032971974 0.041054573 0.036638593 0.023087356 0.048460964 0.011976687 0.016707207 0.027059309 0.013359793 0.013622057 0.053910714 0.050373675 0.043346392 0.015888103 0.040159371 0.028966358 0.044144584 0.019837622 0.007270341 0.038575364 0.032413554 0.032930076 0.020056113 2-methyl-butyric acid 0.005239535 0.011835604 0.005907087 0.007530074 0.006246926 0.004204225 0.005980492 0.006067305 0.005337359 0.00572374 0.004749679 0.005629314 0.004429933 0.007589052 0.009355734 0.004472785 0.005360965 0.00590088 0.006495563 0.004910231 0.003854524 0.006090194 0.003764782 0.004465491 0.008517064 0.006185096 0.004308358 0.009613827 0.004735877 0.004739096 0.007354565 0.006785417 0.011979548 0.00483786 0.004440382 0.005633725 0.005325482 0.005136489 0.008143956 0.00518006 0.007674608 0.005214252 0.004402856 0.003694244 0.007540633 0.004358108 0.005122682 0.007035954 0.006379981 0.005296139 0.004543945 0.009674382 0.004961571 0.003621411 0.004687465 0.004279478 0.006648217 0.004567217 0.005694364 0.005828709 0.005370812 0.004642877 0.004029641 0.005294093 0.006004122 0.004338471 0.008669534 0.004760025 0.003637535 0.006367171 0.005942883 0.005539078 0.004262765 0.005108588 0.005658537 0.004054036 0.008256925 0.008821605 0.004330249 0.004937173 0.005642234 0.005152745 0.005786118 0.006201895 0.006016977 0.005522891 0.004759769 0.006617982 0.01298214 0.004930158 0.004753801 0.009041311 0.005630489 0.009323061 0.00482762 0.005967243 0.004445084 0.00389574 0.010596141 0.00446564 0.00125877 0.003940379 0.005243961 0.004186288 0.004624158 0.003887356 0.006110084 0.004496402 0.003798422 0.006347837 0.009657503 0.005130209 0.005783453 0.005655265 0.014263447 0.003435776 0.004826228 0.007200861 0.004001462 0.004464385 0.00619061 0.0121484 0.005438402 0.005468272 0.007667278 0.004870256 0.015541113 0.006522241 0.007054653 0.004983045 0.00533937 0.004633208 0.007741481 0.004039233 0.006653959 0.007822676 0.005112853 0.003116088 0.005398951 0.007534293 0.004409546 0.004460761 0.004353367 0.005866132 0.005063853 0.004142753 0.006911492 0.006407583 0.005973901 0.005724495 0.00460236 0.0086864 0.003808476 0.005496064 0.005697446 0.005604765 0.003955994 0.002447609 0.004395343 0.006053247 0.004889899 0.006951333 0.004532647 0.005782253 0.006675361 0.004593001 0.005590788 0.006699248 0.004220776 0.008498514 0.004252351 0.004234779 0.004355212 0.007412727 0.00471592 0.004405377 0.006480038 0.004136613 0.004304432 0.006117403 0.005214507 0.005106521 0.005398931 0.005582922 0.006263874 0.004503484 0.004255002 0.00420874 0.005096596 0.01048084 0.005934141 0.010553157 0.010648907 0.004741498 0.011589168 0.013775679 0.006465951 0.009600134 0.007533511 0.004468829 0.004180089 0.009012452 0.006165865 0.00473497 0.007715431 0.005717145 0.005828699 0.005355526 0.007054427 0.004860648 0.005858918 0.006889283 0.006180133 0.006544617 N-Acetyl glucosamine 0.005532077 0.004368832 0.006953207 0.008549689 0.005948685 0.00517911 0.004848437 0.004463142 0.006945976 0.006392146 0.005945711 0.005034921 0.005121955 0.007566799 0.005004506 0.004132348 0.005042686 0.006115639 0.006315343 0.006798247 0.004798775 0.005421188 0.004161949 0.004908239 0.004992167 0.004938676 0.004919994 0.006317598 0.004392504 0.005573788 0.005091627 0.006382193 0.003406508 0.007300576 0.00583785 0.00547531 0.006652064 0.005271392 0.0078248 0.004271467 0.003488759 0.002904653 0.005674908 0.005383108 0.00546406 0.005431755 0.005647848 0.006074346 0.004187627 0.005830863 0.005193123 0.00625945 0.006162124 0.004554878 0.00718929 0.005339391 0.00582976 0.003838895 0.004539284 0.005686927 0.005654355 0.004741615 0.004152682 0.003703422 0.004386572 0.005609234 0.006403999 0.004634199 0.004137461 0.00458135 0.006188563 0.004834314 0.005607405 0.005947774 0.004114778 0.005635605 0.005751355 0.005553163 0.005264247 0.004153137 0.007051284 0.004389242 0.005191527 0.005311827 0.007054005 0.006161309 0.005538407 0.005632194 0.006145024 0.005075985 0.003987782 0.006692991 0.004075461 0.00574145 0.005604868 0.007143395 0.006005408 0.004510914 0.005875589 0.006505976 0.001155753 0.003941136 0.005976331 0.00472051 0.005248945 0.005287722 0.006243354 0.005851185 0.006099621 0.005201427 0.006456286 0.005822538 0.006862289 0.004124846 0.005222568 0.004840154 0.006996155 0.006238817 0.005477758 0.006308226 0.003620976 0.004490574 0.006384007 0.006538139 0.00424469 0.006036367 0.004269295 0.008167953 0.006788897 0.004281392 0.005726584 0.006602927 0.009463398 0.005341437 0.004662347 0.004409793 0.00562295 0.003353497 0.006060513 0.006589188 0.005703336 0.004762528 0.004969794 0.004859606 0.007089952 0.005354008 0.005136898 0.007269807 0.006153928 0.00779699 0.00720755 0.005911057 0.006149787 0.006838364 0.005110548 0.004303821 0.003477373 0.003266773 0.005184144 0.005376436 0.005679425 0.00809354 0.006021188 0.005320077 0.004046914 0.005466595 0.00379892 0.005402531 0.004558918 0.006775715 0.005990976 0.005042605 0.00513869 0.006061672 0.007317863 0.005385473 0.006854063 0.003993019 0.005925439 0.003860608 0.00622052 0.006275323 0.004552345 0.006326451 0.004698148 0.004014733 0.00374066 0.003054901 0.005820921 0.004692092 0.004689976 0.004015284 0.004440128 0.007327016 0.004454472 0.013075816 0.001302436 0.003915626 0.005828517 0.004881319 0.004699042 0.006058251 0.005368897 0.004288133 0.00811587 0.00585959 0.006366259 0.004951917 0.006389177 0.007881574 0.005973314 0.005971141 0.00555251 0.005855037 Threitol 0.038205134 0.038592787 0.05297504 0.047881756 0.034780272 0.071189672 0.044346585 0.030143067 0.034256289 0.058290451 0.045039486 0.054463991 0.045572091 0.052193324 0.054761673 0.036322889 0.038959059 0.064593868 0.03312653 0.042150575 0.040272793 0.039049123 0.031050709 0.057377001 0.03514213 0.045635914 0.033288023 0.053262837 0.058295135 0.046341348 0.043438735 0.065927771 0.045827249 0.058136605 0.051791511 0.037691357 0.0589894 0.071894274 0.04486464 0.050942415 0.034712636 0.044394746 0.027461962 0.04026888 0.056776361 0.058844926 0.070380431 0.050039106 0.058663443 0.054777776 0.073430445 0.068403389 0.062907108 0.024136342 0.052092102 0.035519114 0.071249221 0.048072209 0.03154687 0.062418726 0.077792526 0.031196797 0.042708447 0.054032659 0.039018223 0.086022691 0.060805212 0.036958775 0.025071511 0.035362767 0.046916177 0.04470918 0.085378025 0.034773202 0.039877923 0.060370085 0.046200822 0.054082042 0.064914571 0.052797297 0.040093895 0.037898758 0.049056591 0.053769763 0.035945984 0.057020245 0.045064761 0.067379809 0.076802148 0.052790363 0.042570858 0.039772505 0.045434131 0.038464137 0.0454939 0.040394332 0.079038671 0.073656285 0.107461665 0.030144684 0.010428965 0.033559143 0.054545407 0.049462994 0.066886303 0.037726625 0.029728345 0.047423757 0.044055943 0.034041135 0.115829326 0.042922745 0.05493049 0.044297726 0.040653535 0.035998227 0.050750411 0.02768241 0.053365851 0.048632478 0.03637542 0.087081358 0.060602648 0.058322197 0.048621387 0.050643151 0.111476883 0.075889875 0.067643737 0.067050664 0.058677961 0.073183228 0.091746297 0.048932961 0.043620053 0.060222479 0.043443124 0.037831014 0.063848166 0.064914281 0.045799949 0.054200243 0.079434557 0.04944469 0.045279614 0.089600603 0.063185483 0.037472048 0.061536074 0.064834719 0.084474225 0.045356136 0.065765162 0.114571925 0.049799615 0.039440496 0.034414817 0.024533383 0.063771221 0.108622571 0.085622828 0.042590419 0.075222243 0.061120564 0.055583819 0.072798044 0.065166164 0.069943239 0.042159022 0.06587192 0.068962292 0.079852448 0.168779643 0.050823213 0.056256485 0.038153655 0.08170703 0.038114153 0.058860989 0.025483308 0.054116217 0.047735082 0.076499774 0.058764611 0.061676928 0.053937267 0.028090486 0.019862478 0.027830675 0.035062972 0.037833189 0.049368683 0.072719029 0.054911679 0.049850787 0.073571797 0.042303548 0.053937149 0.052400734 0.038028091 1.322507073 0.028684638 0.066849796 0.048890681 0.039205498 0.042525004 0.039441535 0.043753679 0.043405777 0.054583816 0.037785327 0.043601203 0.064289063 0.039617919 D-Fructose 0.037089449 0.328068894 0.032729525 2.197693836 0.028259684 1.018277009 0.154437406 0.882583895 0.053344517 0.809631554 0.105537565 0.069458665 0.060792929 0.033590013 0.08263918 0.031584532 0.247774081 0.117397092 0.030657863 0.358625568 0.069108651 1.811877481 0.490715225 0.027118415 0.040690559 0.216143335 0.08793708 0.145262015 0.489302424 0.031391052 0.027017468 1.191196583 0.589366933 0.049029813 0.035204823 0.032381551 0.08466351 0.07572311 0.063845655 0.027469542 0.013320818 0.095060611 0.284641672 0.359518175 0.104638408 0.255722281 0.041726281 0.229017776 0.041544256 0.480034984 0.032071881 1.291265675 0.523281349 0.179496433 1.139395862 0.029352062 0.404154724 0.070911683 0.150932282 0.290790802 0.062217614 0.0096837 0.073549978 0.281612374 0.017268059 0.179878825 0.066430946 0.017143559 0.026380771 0.124784174 0.086602483 0.140498931 0.060249913 0.189728206 0.046806558 0.057850023 0.053854553 0.043996154 0.081542677 0.046358933 0.096461473 0.845667807 0.040993145 0.082924859 0.049558893 0.352029444 0.046606259 0.303680906 0.238571224 0.374090052 0.046267196 0.291262259 0.545951284 0.087165091 0.053224604 0.033165414 0.028859274 0.204883781 1.74660618 0.036500776 0.003398792 0.019693552 1.006307341 0.088444448 0.039875792 0.310045996 0.102693318 0.280375958 0.050252951 0.033997011 0.160743903 0.311510984 0.344612601 0.200985142 0.061193991 0.023640924 0.042566221 0.026812113 0.171001026 0.201530695 0.236101076 0.325345105 0.05987098 0.05312642 0.112188419 0.177777806 0.597373168 0.044045022 0.061356126 0.050639809 0.231932056 0.036517188 0.053445766 0.044996607 0.027329236 0.066172163 0.206362813 0.017152801 0.090891415 0.040770852 0.036812575 0.069825984 0.078330006 0.111418411 0.04641519 0.040855308 0.09796016 0.041559031 0.162637073 0.176977267 0.044411648 0.117641315 0.071059586 0.048975261 0.079938157 0.054044551 0.181340055 0.025073198 0.054367489 0.179053578 1.060974507 0.133478505 0.139631792 0.095775847 0.079738371 0.059225228 0.210969053 0.948038651 0.040300547 0.459845139 0.081879168 0.032344262 0.171915397 0.504441202 0.073676099 0.0431728 0.245689836 0.043454805 0.066781615 0.023611994 0.269176495 0.054320603 0.039958264 0.314192283 0.02942631 0.03862317 0.036707144 0.026443704 0.027763843 0.040845321 0.706139374 0.110272482 0.041777885 0.078834038 0.096808817 0.033312022 0.125112086 0.039466019 0.147924497 0.02933736 0.037978061 0.223798252 0.833189725 0.862537769 0.203796987 0.245539756 0.323848429 0.174169115 0.031382004 0.202791157 0.069691144 0.283963059 1.178389502 0.017530143 Sorbose 0.008282183 0.014505441 0.02772455 0.024231727 0.010876144 0.038491903 0.018115566 0.021907445 0.012784077 0.025941377 0.010894906 0.016950836 0.014609275 0.018513008 0.012738963 0.011688079 0.026172579 0.015389959 0.01114685 0.029126855 0.025203094 0.037661645 0.024210895 0.015406577 0.014828802 0.014654228 0.015919521 0.02234833 0.081029173 0.011758808 0.019018337 0.084354511 0.03335936 0.019111556 0.014395937 0.014874005 0.032722302 0.027974724 0.027867852 0.024354372 0.012995216 0.01722022 0.011666533 0.035635556 0.047001946 0.028778316 0.018636759 0.023475044 0.041238384 0.051177269 0.029251954 0.093917306 0.027971983 0.009266023 0.027837637 0.00756773 0.024768928 0.035946258 0.01927575 0.036245645 0.025653136 0.017276384 0.028407144 0.036911186 0.011340267 0.055190327 0.022559166 0.024854167 0.008622035 0.025440809 0.019706308 0.016071522 0.01790335 0.018681144 0.020943848 0.014895586 0.015310067 0.023319131 0.012851378 0.058458706 0.021675147 0.010657422 0.015834768 0.015554164 0.01551707 0.015967685 0.022392871 0.090502283 0.038461294 0.038931942 0.023441695 0.018690523 0.028440387 0.018527267 0.012328785 0.016577009 0.028271735 0.032090472 0.044711041 0.00865321 0.001562796 0.017159861 0.024332736 0.015453398 0.028872236 0.008434102 0.015098831 0.02248573 0.016242403 0.01311254 0.023945901 0.011748683 0.014579063 0.009595128 0.013468269 0.009812603 0.013857775 0.019076411 0.021441928 0.033038771 0.039935705 0.044811021 0.032322192 0.014835956 0.031880391 0.026265022 0.169230689 0.01813586 0.027866842 0.01434798 0.026103625 0.014773774 0.025054257 0.021100188 0.021970088 0.025207162 0.010815043 0.015271959 0.027316718 0.032198483 0.021235497 0.009169461 0.018844661 0.017741491 0.011772495 0.109159519 0.020636229 0.018913889 0.034200011 0.024540874 0.019476985 0.045717496 0.031144266 0.054629715 0.027170403 0.010550906 0.020976053 0.005429438 0.022332697 0.047975614 0.062613542 0.037855675 0.043777546 0.033970748 0.01319823 0.01639155 0.022211767 0.020100258 0.023019395 0.027625882 0.015810676 0.014591041 0.049492544 0.00918699 0.021319238 0.018155957 0.075197917 0.009370046 0.023232991 0.009438209 0.015931899 0.021647614 0.023530858 0.022199757 0.020707654 0.021870149 0.009649925 0.012762699 0.01064056 0.015068189 0.024590276 0.014748768 0.033096779 0.021261896 0.013712809 0.02896306 0.023415048 0.031723814 0.031562076 0.016624591 0.008834744 0.014061457 0.063494988 0.039875514 0.028270897 0.016815384 0.018053534 0.016306573 0.019653519 0.016611388 0.022695926 0.0158051 0.03722452 0.010986468 Oxanilic acid 0.019528447 0.06123707 0.010165444 0.01858513 0.03192869 0.031392542 0.13771473 0.039497504 0.017610737 0.043229481 0.065360252 0.029867537 0.031585862 0.060091321 0.027210522 0.036431174 0.029119892 0.068163839 0.01230573 0.026527674 0.056852521 0.046634902 0.018014605 0.129655506 0.103553331 0.043076809 0.017938555 0.079702777 0.138796423 0.017577969 0.034458762 0.044406712 0.016596495 0.053785415 0.119396638 0.076837588 0.039995588 0.04695465 0.032706696 0.02281086 0.105628071 0.032725148 0.045678387 0.050692562 0.076075229 0.089493202 0.009521876 0.077664764 0.130417212 0.009175671 0.078079603 0.013069592 0.019709019 0.020194269 0.023165511 0.063979875 0.062206555 0.154763262 0.051291092 0.134362107 0.082387817 0.060059443 0.043993641 0.096824638 0.005808171 0.09634477 0.075643276 0.100786238 0.014031168 0.073715561 0.050971766 0.06107145 0.016192156 0.032772842 0.030207613 0.019470353 0.033326278 0.034188448 0.035069175 0.043367233 0.026057681 0.020065934 0.044259824 0.048623665 0.053109388 0.037956421 0.048490866 0.060340882 0.036311279 0.047144127 0.036585896 0.021941854 0.073972923 0.11916324 0.03454692 0.031095399 0.051846039 0.023104956 0.042700999 0.029571377 0.032727415 0.057837109 0.033370145 0.047189588 0.013293589 0.028459753 0.030568645 0.036030068 0.020221552 0.033563469 0.028122784 0.040199004 0.01942745 0.082850778 0.073228277 0.057421727 0.029889503 0.096354679 0.104213751 0.073132437 0.011116268 0.039708934 0.014281003 0.033792399 0.065242533 0.053824941 0.0719804 0.042942311 0.06575354 0.052511962 0.018019265 0.058514957 0.067978114 0.032709799 0.041993836 0.032503312 0.052153844 0.081128684 0.051025712 0.084622 0.029710491 0.079042125 0.090892255 0.046305 0.091513686 0.091184495 0.009418303 0.033296624 0.056037764 0.039426083 0.037908729 0.042586638 0.013390379 0.069339665 0.099224166 0.030536157 0.031281647 0.207126762 0.070507418 0.033757564 0.080299062 0.030695262 0.028372148 0.075091654 0.030257799 0.041769124 0.059955768 0.041480815 0.054302767 0.025545467 0.011702789 0.045877479 0.014815112 0.072449357 0.043720534 0.031237 0.038766336 0.058335301 0.043984351 0.087373025 0.076956645 0.046725551 0.268550036 0.066869142 0.1342981 0.021635568 0.030173974 0.02554548 0.038966308 0.049232798 0.083248337 0.081344495 0.039822069 0.003357829 0.027989308 0.023028123 0.012914005 0.017758119 0.039731865 0.030872905 0.089623082 0.042622036 0.053523225 0.010491165 0.005493716 0.087405626 0.018451613 0.081961247 0.046166726 0.000406335 0.061639647 0.07214372 0.001609104 0.040804161 Decanoic acid 0.00273636 0.003126983 0.010336422 0.001826658 0.010529024 0.009652576 0.005185815 0.006019005 0.004965583 0.007962368 0.006064126 0.006748783 0.015771928 0.005270787 0.005153964 0.003687595 0.012859195 0.002645543 0.004147248 0.004983622 0.004964853 0.012888314 0.005830675 0.004614003 0.03263503 0.003103319 0.003228438 0.005608846 0.005307731 0.004850397 0.004365507 0.006376025 0.004316198 0.005865836 0.004586124 0.006353681 0.004472852 0.003992471 0.008921349 0.003200381 0.002372109 0.00390597 0.002954908 0.00534648 0.003552791 0.004203098 0.010615124 0.004408159 0.015594706 0.006521907 0.01454185 0.00470326 0.001676269 0.002567522 0.00854063 0.007181215 0.003583338 0.003857676 0.002404266 0.004161738 0.008342808 0.006821238 0.003228176 0.005753468 0.00423846 0.004481131 0.003573194 0.003018952 0.008206314 0.003480007 0.003576664 0.003241028 0.003940155 0.003201348 0.005928939 0.005103531 0.007612382 0.003498781 0.003185728 0.001820622 0.008332278 0.002095792 0.005639139 0.006375734 0.004825058 0.012722383 0.005475533 0.005513873 0.004376769 0.004651299 0.006624846 0.01300549 0.005516648 0.004463317 0.004392601 0.007453525 0.005203449 0.004292329 0.003025855 0.004771764 0.000847554 0.003230439 0.010625058 0.00339682 0.010666855 0.001785429 0.020038989 0.002738866 0.008351907 0.004968462 0.00771823 0.002824576 0.004359925 0.002659133 0.004718222 0.004683918 0.006121884 0.008620592 0.015035874 0.004368504 0.004817304 0.012450223 0.004308287 0.01902912 0.002989046 0.037931791 0.013387388 0.008318985 0.005612252 0.004058933 0.012500261 0.005747322 0.007620441 0.005111436 0.006333224 0.006127157 0.006885236 0.005214958 0.00539705 0.005797462 0.007070252 0.002543133 0.004149908 0.004762891 0.006936833 0.004837612 0.008857967 0.002941585 0.004516644 0.006017971 0.007822647 0.005762168 0.002258083 0.004729624 0.007376801 0.002496044 0.002781961 0.002476243 0.006586304 0.011380873 0.016379079 0.011856724 0.016197795 0.00306135 0.066826344 0.004053375 0.005249644 0.006049758 0.010048198 0.006459231 0.006864916 0.00735943 0.012386652 0.004071408 0.007624448 0.007070818 0.005395831 0.006788467 0.008634014 0.004271798 0.005245784 0.009237764 0.008457593 0.006694561 0.006292942 0.002846653 0.004880678 0.003243621 0.00411161 0.003993058 0.008647835 0.008180041 0.008681168 0.006287297 0.008319701 0.008742281 0.006846951 0.006692265 0.003833941 0.0096603 0.005337183 0.005038532 0.007640708 0.001868794 0.00352384 0.006880591 0.012737724 0.003954026 0.002426729 0.0045084 0.011224682 0.005102981 0.005149295 0.006633956 3-methyl-2-oxo-butanoic acid 0.007008755 0.007850641 0.007904742 0.010240274 0.009382221 0.009354079 0.008277802 0.008874952 0.008097001 0.012261256 0.008420283 0.013551422 0.011097599 0.01352877 0.009686612 0.009395492 0.009269341 0.00785465 0.01166207 0.009323364 0.007606541 0.008445761 0.007709568 0.014461428 0.00670796 0.009618671 0.008309855 0.012058041 0.01054623 0.010046577 0.011346261 0.011920828 0.009016844 0.018381361 0.010703944 0.006698487 0.008263509 0.006662137 0.01315241 0.014943514 0.009679674 0.012836237 0.008802399 0.0062968 0.002970999 0.008724512 0.014101157 0.006833149 0.008758319 0.009253895 0.008873825 0.003546302 0.013276479 0.00593378 0.008598192 0.011097673 0.016131198 0.010140877 0.002599493 0.00785264 0.015273941 0.0092654 0.007459368 0.010538151 0.006837525 0.011874413 0.014179774 0.007140223 0.008144747 0.000501618 0.011921368 0.006538032 0.008703452 0.007003534 0.008115507 0.009442588 0.011482486 0.018011836 0.006590362 0.009659116 0.006997957 0.009156566 0.00435021 0.013500776 0.01025144 0.010779615 0.014477434 0.014430371 0.014776472 0.011502903 0.008021855 0.012748285 0.0096207 0.009023393 0.007935764 0.013080821 0.006039397 0.00463265 0.006779336 0.009742313 0.000839634 0.007614169 0.011470848 0.010453741 0.01185443 0.013243744 0.012901821 0.009208645 0.009257616 0.009207148 0.010403059 0.008503563 0.008712494 0.006292049 0.010849243 0.005313756 0.008092913 0.01319011 0.007182611 0.008541195 0.008066849 0.01513625 0.014632665 0.010523113 0.005854993 0.006766689 0.009589516 0.012447945 0.010526411 0.005734268 0.008444937 0.010222416 0.014030498 0.013216184 0.007823905 0.010085506 0.010935407 0.011485669 0.014699911 0.01087336 0.010316146 0.007927412 0.005545147 0.009646677 0.00717084 0.010444267 0.00738763 0.009230304 0.00987363 0.008558001 0.015596871 0.0130045 0.007711641 0.012223645 0.00952776 0.006078435 0.007065981 0.005376787 0.011931939 0.007853561 0.010090255 0.00906205 0.008377169 0.007625712 0.011305841 0.009146611 0.010647811 0.007713667 0.006588759 0.009228941 0.009637541 0.005741289 0.008115738 0.012176342 0.013289799 0.008798033 0.00581629 0.007646952 0.015184392 0.00774 0.006230388 0.011663422 0.011212206 0.006973068 0.006391803 0.009369392 0.009338488 0.008182169 0.005459686 0.003046621 0.003924403 0.000511647 0.001080887 0.005596045 0.000568828 0.002360429 0.002327593 0.014030119 0.001386565 0.008348813 0.006290251 0.002024003 0.010074819 0.010029498 0.002974326 0.00716867 0.011725649 0.007957535 0.000278078 0.007174476 0.002244152 0.003950091 0.013723469 0.013938501 3-Phosphoglyceric acid, TMS 0.055484507 0.031351654 0.056628759 0.044684568 0.040859305 0.034654318 0.066623287 0.037165649 0.038700466 0.060237286 0.026549965 0.041701929 0.061105945 0.056074147 0.040912366 0.036650303 0.052290885 0.036582787 0.036978145 0.030484685 0.039411556 0.034639036 0.035892352 0.082459736 0.047256024 0.04114156 0.05860753 0.061110167 0.028625758 0.047805246 0.067263269 0.100703964 0.045029824 0.046779438 0.062985098 0.062713656 0.043125831 0.057342717 0.086511275 0.040369089 0.08229785 0.027132101 0.039067135 0.038536009 0.049776074 0.040626571 0.138635925 0.038450933 0.079789668 0.054746777 0.048608457 0.070696308 0.040155597 0.0269844 0.053276794 0.028275321 0.041528749 0.083365586 0.035186285 0.101900479 0.12341466 0.036492744 0.03873671 0.052519308 0.047123334 0.046126603 0.030321953 0.04318852 0.042950872 0.038520222 0.038003008 0.048162424 0.056997796 0.028439478 0.056900066 0.049853207 0.055807391 0.060193541 0.041157867 0.043996747 0.070572822 0.053143503 0.042870641 0.052635744 0.04749383 0.035954727 0.068029475 0.053963714 0.056171421 0.056780537 0.031973455 0.080463244 0.05686391 0.051685703 0.034835574 0.073239626 0.040625121 0.03003644 0.058311808 0.039988491 0.003103025 0.044741277 0.038940575 0.047042337 0.053227198 0.053544687 0.022616605 0.043178166 0.052759868 0.033721466 0.049170967 0.038669096 0.045821032 0.034588243 0.053855056 0.047022134 0.067894895 0.08918784 0.046597914 0.056740481 0.085606501 0.057257753 0.083159587 0.047018398 0.040560173 0.045047595 0.076243534 0.067740125 0.081639172 0.056832398 0.047746613 0.06821027 0.096796301 0.028454933 0.041267244 0.053072649 0.040777791 0.051582592 0.077774513 0.075222418 0.060691808 0.088272067 0.03977584 0.05134845 0.065813179 0.060429588 0.074844039 0.034048717 0.039230297 0.049728768 0.058423873 0.06169231 0.087508467 0.118118081 0.081978843 0.058707011 0.035442634 0.029636367 0.047369857 0.027002734 0.064812979 0.087784092 0.036531054 0.045941018 0.053995057 0.035512333 0.079743583 0.055068342 0.051036397 0.037146085 0.102071906 0.025690373 0.018512556 0.043997247 0.079973349 0.055789847 0.099883184 0.039587005 0.100726106 0.028958637 0.077475853 0.06595667 0.059463129 0.09596177 0.035540755 0.034483657 0.023960952 0.03231993 0.028061885 0.021846304 0.046731543 0.028773277 0.042523096 0.038084595 0.040168512 0.036670664 0.042666834 0.037645418 0.044139109 0.027780025 0.027716854 0.041091829 0.038550784 0.033476143 0.021683214 0.049133005 0.057340089 0.037629523 0.039059141 0.029346976 0.041198937 0.03292537 0.06409271 0.060935495 N-acetyl-glycine 0.015458861 0.010129782 0.01190761 0.017414045 0.008208791 0.005544177 0.005798959 0.005395105 0.009388193 0.008884365 0.009852663 0.004095301 0.008164079 0.013037663 0.004605016 0.011838932 0.007635404 0.01353006 0.009972479 0.006265198 0.007253033 0.00897519 0.005872726 0.011673105 0.005477465 0.007350697 0.004058958 0.008300808 0.003891364 0.020719007 0.010066752 0.004297947 0.004959911 0.012835672 0.009674537 0.015767829 0.025428639 0.00981299 0.008682238 0.007832062 0.009393072 0.003146715 0.003871511 0.005859468 0.006544124 0.009128197 0.01650078 0.00874629 0.005573821 0.007952036 0.016935136 0.010048753 0.005429071 0.004319454 0.007441001 0.034036637 0.005363344 0.013181304 0.004966772 0.01546944 0.006401624 0.007301033 0.008182495 0.010174709 0.009995534 0.012518448 0.020166424 0.00563182 0.023191777 0.004100979 0.005915763 0.00894704 0.014904892 0.006536249 0.006140965 0.008212247 0.010387805 0.004386142 0.006089001 0.008590073 0.004478253 0.011088622 0.010415946 0.006008044 0.005846763 0.018216597 0.007188698 0.005866942 0.01351825 0.004526846 0.012380478 0.008515847 0.005753009 0.005460858 0.022073777 0.018928625 0.012823669 0.014742639 0.01785942 0.007772698 0.001095839 0.010970957 0.015086321 0.013808347 0.005451659 0.009584993 0.005104765 0.005359985 0.0111994 0.006840857 0.016609835 0.010849224 0.008518468 0.00898872 0.004784267 0.012128 0.029904456 0.014292218 0.00663373 0.007853013 0.025327689 0.005555348 0.007785672 0.007434103 0.004181537 0.026540601 0.009442223 0.062580826 0.006434052 0.00861919 0.005765972 0.005448643 0.016022769 0.005980343 0.01347113 0.004089715 0.008126565 0.007321312 0.006867914 0.02070764 0.014331538 0.017202433 0.004822433 0.009178006 0.009027516 0.011660106 0.007516322 0.004690746 0.005851069 0.004856935 0.02651964 0.006432112 0.009875904 0.00981055 0.009731806 0.004792115 0.004070346 0.00464874 0.005385109 0.013409256 0.0038055 0.014064102 0.01073068 0.013114764 0.011487904 0.008661387 0.009234807 0.017842254 0.007482784 0.012077863 0.011113782 0.010202083 0.005674646 0.009908272 0.004377024 0.030736769 0.007608916 0.02374285 0.005643966 0.010364295 0.006943734 0.037906258 0.006272992 0.00844274 0.006261887 0.008076997 0.003868953 0.004704093 0.006951406 0.005375651 0.013234066 0.022975828 0.023516083 0.009335521 0.023796039 0.042970271 0.005322172 0.02625659 0.007399972 0.010555578 0.028071008 0.0115425 0.013900219 0.009112499 0.009684748 0.007030206 0.006497581 0.009578226 0.018199142 0.009300421 0.006350065 0.010387793 0.011271875 0.00730699 Hexadecanoic acid 0.711049113 0.443292452 2.813977701 0.628112125 0.811001398 2.444341618 0.901496972 0.527638903 2.647810658 0.871928438 0.518342631 7.871185928 12.04360066 1.625429312 1.683334025 1.035767682 0.849992476 0.481169812 0.808345997 0.339817354 0.458457923 0.535557023 0.704207051 1.535911656 6.42631024 0.590269714 0.741175334 0.448849784 0.723579238 1.429418459 0.637473552 1.176995467 0.641160712 3.619002827 1.265466119 2.421459747 2.029848832 1.516971317 4.832775598 3.168993674 1.780465851 3.066987158 1.032709327 1.373564031 1.394365958 1.007741233 12.29927562 0.797598384 2.58699843 1.765454721 3.262290007 1.301187575 1.833839157 1.120262646 1.452611996 3.623362111 2.192731683 3.429303722 0.878742977 1.834410246 4.256628272 3.133162701 1.486866261 1.08049269 0.769691231 1.30089061 3.468290311 1.18753447 3.387030884 1.288631305 1.367234743 0.518981858 0.649274423 0.421355922 1.433558726 0.597989947 1.554961158 1.846016034 0.903563959 1.32868949 0.728271352 0.586828709 1.546862171 6.440612367 1.128286992 1.00065055 2.111193129 0.500340811 1.410069264 0.637414814 1.83624138 0.526264393 0.447927279 0.878810409 1.696726953 1.950896361 1.124742667 0.514283061 1.140533609 1.682605118 0.331933293 2.432105309 0.561102002 0.997388548 7.962578066 0.454897726 1.449547963 0.563457969 2.886859551 3.98177173 0.544812995 0.429971877 2.281913453 1.49507474 3.537348538 2.176150972 2.42281778 2.456681391 0.5998539 1.035288879 1.033377789 4.60979191 2.602049027 0.703968129 0.533373781 0.751149141 0.804580877 3.631693507 0.900188962 2.730035123 0.643558608 2.691543152 2.74828191 2.179588915 1.532238089 2.232859897 0.965357528 0.97157475 0.971664114 2.053053081 2.388790471 0.548900438 3.138766508 1.788037011 1.212580385 1.597779013 0.743129906 3.357535056 1.003728679 0.507196113 3.46783019 2.764388319 0.689597302 2.806305558 1.317520712 0.696315099 0.4360791 0.639938367 2.115362731 1.022612216 2.502331774 1.626905748 0.922776374 0.800936002 10.99404505 0.803946107 2.100034287 0.461741763 2.398986075 0.490631018 1.52974886 1.601026836 1.405398939 0.751847822 2.725713675 3.280650204 3.191760308 1.808049869 3.160444358 2.557089331 1.365853175 4.23301213 4.862673501 1.427149818 1.311056692 2.266587894 2.037352266 1.753885573 2.625338906 1.537310189 3.051428565 2.956568896 3.346076739 5.440095877 2.647706256 3.972090525 1.415621504 5.730058634 1.401630962 2.189006172 2.186035512 2.147677653 1.847506985 0.940735497 0.772284867 1.540417176 0.640543144 2.66518816 1.450778619 0.997551064 1.240780581 0.926496179 1.366535646 3.287253677 Citric acid 0.753457966 0.705717937 0.529689733 0.985277126 0.605049607 0.665680355 0.482607792 0.634246809 1.040830934 0.956462395 0.840565924 0.469476434 0.756667192 0.79544399 0.453872526 0.62674007 1.089386178 0.609559103 0.523567768 1.076733342 0.604869222 0.922876465 0.496476939 0.799234187 0.865871976 0.790323719 0.856335629 1.015135828 0.732417046 1.071886539 0.983953039 1.565886063 0.736064877 0.777486861 0.73523585 0.460288292 0.473397693 0.787192516 0.95544074 0.609896973 0.617364835 0.577215666 0.546656647 0.608951116 0.733012831 0.82389396 0.605377177 0.698707903 0.260276608 0.796402853 0.913064656 1.66445763 0.542289777 0.466531127 0.574572986 1.062972742 0.590386083 0.435656181 0.506009592 0.819320919 0.861698568 0.715141913 0.653389126 0.878198807 0.631694566 0.779699023 1.535315885 0.659517574 0.474883942 0.692072905 0.683851191 0.614116015 0.540188875 0.714456209 0.481704722 0.730345835 0.796003167 0.647438518 0.595455618 0.724410751 0.768340888 1.017893546 0.801864323 0.546786903 0.714905801 0.845310428 0.765551942 0.964033712 0.787546308 0.870071674 0.70610453 0.934486913 1.160917028 0.661390058 0.830712269 0.841848647 0.808661397 1.006654285 0.793753409 0.786670556 0.1415684 0.557583885 1.205147016 0.976510223 1.694675819 0.674537523 0.91052626 0.725968815 0.540872145 0.60757116 0.716783396 1.289696295 1.039676058 0.360808604 0.550409346 0.932677972 0.657540816 0.59229509 0.880895415 1.094873388 0.417988859 0.808391808 0.830421305 1.104289082 0.745903302 0.674032002 1.395984918 1.710894872 0.898608351 1.070951787 0.882529541 0.860587077 1.196635627 0.608518518 0.76243467 1.252483014 1.006774193 0.975878848 1.529132998 0.948658254 0.803274341 0.83418592 0.616704997 1.060098091 0.859284108 0.859064884 0.96427985 0.516629342 1.356395271 1.152178244 1.134964466 0.952709766 0.710355462 0.792188076 0.778057972 0.603477091 0.508244374 0.475270078 1.095977383 0.872058734 0.938689894 0.704852658 1.161469191 1.210771976 0.895802078 0.672570745 0.697084523 1.531089897 0.878243304 1.151898002 1.04049641 0.823889373 1.603330314 0.701588613 1.109454415 0.968251077 0.764149306 0.595466488 1.152570415 0.622402537 0.714041311 1.170019371 1.340591433 0.711625352 0.347019338 0.531783795 0.355271723 0.402070159 0.661083075 0.58984411 0.499524106 0.6153675 0.925815855 1.293563063 0.629474179 0.877348335 0.71261313 0.914313773 1.14172001 0.997731542 0.92353726 0.592782162 0.925857927 0.874694216 0.886898326 0.554373816 0.975676202 0.782348091 0.52002483 0.795535013 0.715411226 0.647994355 1.065225129 0.571391837 Arabinofuranose 0.014651904 0.029078628 0.007993804 0.020458992 0.020894005 0.033976972 0.026961616 0.017842054 0.019117977 0.024794317 0.015202097 0.005719661 0.021644207 0.027191826 0.020851004 0.020383645 0.056793385 0.013705814 0.022249461 0.022059167 0.020550297 0.023275578 0.062582759 0.017632744 0.019771745 0.023454138 0.099565729 0.020709148 0.042032068 0.016918454 0.01647979 0.032012144 0.026957266 0.032021 0.020856121 0.024623016 0.018646011 0.033829471 0.029250972 0.045758863 0.026428486 0.024438589 0.01723397 0.00510508 0.019779748 0.019394551 0.031816578 0.01908595 0.025659332 0.009557289 0.023665576 0.024063337 0.039625413 0.01334106 0.013053347 0.009627369 0.035903739 0.025508848 0.009134547 0.016579743 0.030630252 0.027608727 0.022358967 0.025424578 0.011561869 0.029774714 0.026862629 0.019342661 0.008043794 0.018526076 0.028271847 0.071148139 0.022496689 0.010588817 0.018311907 0.026302341 0.027200601 0.036077164 0.020065954 0.020196458 0.018192253 0.012225732 0.023519326 0.011723167 0.022337948 0.018192087 0.02763451 0.031567453 0.020785575 0.054908716 0.04231432 0.018232722 0.028298074 0.018911989 0.020355743 0.030412891 0.020524924 0.018071731 0.019986765 0.018413216 0.001710769 0.021807511 0.01370662 0.087671597 0.036429518 0.017765314 0.027978406 0.013997471 0.012657229 0.025020397 0.021756877 0.026952902 0.026175146 0.022593036 0.023624548 0.018531892 0.019960837 0.017984206 0.034560563 0.01849222 0.028896143 0.038908481 0.052758356 0.018092784 0.016094533 0.013961503 0.02053959 0.0295937 0.039620479 0.020723346 0.0213511 0.02277616 0.023883426 0.040687559 0.025856469 0.060932775 0.018244567 0.035911709 0.047971763 0.02406438 0.019992308 0.07548207 0.078325777 0.0178538 0.013886193 0.018219323 0.009717257 0.0447739 0.061055503 0.017694906 0.017829336 0.09401483 0.107605323 0.012622862 0.015515463 0.015218457 0.018920405 0.007176653 0.022874896 0.022502333 0.015955747 0.029077418 0.046751769 0.01561555 0.018595548 0.015325859 0.046482957 0.024252064 0.015863443 0.018918341 0.033811362 0.013452911 0.041901997 0.019392451 0.017808474 0.009663532 0.017412926 0.007635913 0.019604524 0.018601612 0.012006338 0.01380745 0.025469994 0.014982209 0.026542866 0.049754239 0.014883956 0.019741095 0.016062409 0.017088233 0.01958925 0.018105579 0.029850461 0.029370036 0.024790825 0.021882712 0.034051007 0.015695851 0.033521482 0.01614369 0.015528627 0.021623285 0.030368686 0.01978219 0.017936916 0.023315304 0.016037457 0.016159499 0.014541069 0.011987238 0.019451582 0.020242909 0.017947457 0.020438321 Urea 12.37676849 16.14707752 19.00481564 25.36862543 17.29911101 11.05802011 15.18762878 20.62767097 16.31265317 16.66830907 11.36899008 10.99679046 24.16241251 39.18725875 11.50826403 9.166006273 26.52492218 13.94407299 13.92414198 19.46326694 18.24951162 16.09869059 16.18522753 16.63201726 23.6806506 24.14960726 19.22399172 17.0316628 35.47848932 14.60804377 21.91035038 25.39425364 13.82930146 43.67035273 14.29356748 18.13774251 10.01992252 33.99850611 30.38819508 25.40199201 12.51941778 21.50319395 15.70971725 12.99749205 22.19580106 30.97593466 8.344873381 19.97164445 19.7157279 21.29833336 42.96603332 16.13121649 26.51357477 16.0624376 31.00200763 29.55711004 28.88912274 20.36727897 20.79572419 6.498675768 52.10494249 16.04129364 13.84282326 19.3918782 25.72273402 25.90652137 17.87343078 10.87923233 14.20280425 16.3270219 13.19349117 14.10443266 15.12622767 11.74376488 15.5834842 31.56358945 14.27371513 17.99252784 15.21475828 14.78578281 14.17407102 16.35429485 14.3137284 18.05136672 26.74181948 34.47799065 28.65703618 27.54559704 30.50425443 14.89328872 14.4270759 19.89330405 30.78215994 43.30206138 30.45083631 15.89610981 16.06897023 18.41846218 5.864481042 25.81679025 3.06404149 22.66429256 18.62824853 10.34883976 19.64757649 26.10792582 18.28196473 22.34596973 26.25280406 17.35502326 21.01035829 21.48040889 65.65107507 12.78136098 16.29540443 19.689074 18.50766998 29.56166949 22.89719828 24.00304974 14.93265981 34.94216743 27.54033742 44.29007601 22.30744692 30.99428444 29.76152345 40.0841184 24.53738155 32.78523898 27.39878663 23.6156525 41.8742489 21.02625779 36.18505929 25.11556238 18.96099928 13.21484976 32.67100988 28.1044667 24.76381576 21.17699448 47.99314542 25.96342411 28.38897089 12.35254505 43.74451339 37.17754755 34.75026265 27.23759469 37.89627977 28.99206161 28.32479466 29.50972306 21.04734426 17.78712136 11.89929194 7.72425501 41.17916451 15.38816793 15.97167924 42.54734085 38.86493076 19.74297851 25.41110099 21.84961304 14.17228879 18.86515181 18.73102715 39.26965343 14.7548517 23.12702054 47.98023848 17.15649942 19.57167124 14.65776023 5.108076908 34.78915875 19.6514311 11.68870634 19.21160957 19.70552322 32.13928515 17.98196755 17.53281786 28.95947497 25.21732417 7.633187577 15.84370963 13.19736386 22.85315544 16.38927732 24.71461675 47.86203204 15.72481704 21.44125045 20.85501447 24.78581062 21.30278701 25.12780428 15.19290724 17.60728521 32.50537051 21.81151441 12.82620434 18.05665004 32.48857654 24.18629512 26.30813382 27.37427628 17.46922525 16.9122222 19.19436418 15.35456092 2,3'-Dipyridyl 0.029483072 0.035715974 0.026544135 0.032446991 0.035429333 0.031508922 0.032926246 0.038642195 0.035372458 0.052352988 0.037341223 0.038741212 0.03508022 0.040492244 0.036720917 0.029715783 0.038893442 0.039885327 0.03179984 0.032461505 0.034740516 0.034841206 0.026696507 0.399005016 0.027836173 0.035374506 0.04664564 0.043869812 0.036347056 0.036030189 0.028291558 0.040170326 0.032336369 0.049149332 0.03504278 0.03899807 0.039247054 0.031029023 0.030136966 0.038708062 0.013088618 0.035080739 0.0321715 0.019682538 0.035484861 0.041255529 0.028817626 0.045782203 0.0356069 0.034186181 0.034363038 0.017342792 0.027353211 0.030535359 0.031588122 0.036346136 0.047577565 0.03630417 0.034774274 0.03814708 0.052086197 0.037565748 0.035908267 0.04632604 0.025582758 0.041065473 0.040000583 0.033520462 0.019821722 0.035609966 0.029182196 0.034462268 0.023734762 0.031201251 0.027087467 0.026728474 0.040624707 0.023670491 0.035182553 0.026593902 0.033458733 0.026025357 0.034233062 0.03041552 0.035414453 0.03865227 0.033192842 0.03950695 0.039923529 0.029686692 0.04504494 0.03197643 0.03329507 0.036884231 0.031717632 0.04470091 0.031943435 0.027139676 0.040310104 0.03617903 0.008989535 0.031080678 0.032366898 0.034013298 0.027695982 0.025044766 0.034668127 0.030613016 0.026136732 0.030934217 0.034787048 0.032700861 0.042915503 0.032224632 0.031557608 0.034525867 0.032611463 0.036894711 0.040677771 0.036457525 0.035379257 0.045460045 0.041825557 0.040451709 0.035996636 0.035798681 0.036584579 0.047878928 0.046771017 0.037863406 0.055947979 0.036601905 0.048059189 0.027642805 0.039068087 0.028992571 0.030404918 0.012304787 0.027023048 0.037235332 0.033682935 0.034810015 0.029773536 0.035616512 0.037308223 0.034150226 0.048837094 0.033130775 0.040192857 0.021889726 0.032059576 0.041868687 0.044681277 0.037079803 0.036462501 0.028755315 0.021580104 0.021432125 0.039283268 0.033634272 0.038837087 0.032997636 0.029152978 0.038740732 0.033791835 0.035648835 0.027051116 0.039015385 0.03128341 0.027179988 0.040537576 0.034024898 0.025404527 0.038483789 0.031052781 0.032192129 0.030340919 0.03555104 0.040759525 0.037261146 0.039203634 0.034008539 0.040807708 0.059663511 0.036510288 0.037356635 0.032908666 0.031524137 0.031941582 0.038914177 0.035556042 0.036090117 0.04380324 0.043462163 0.031898902 0.03793408 0.029303901 0.039444749 0.032603776 0.036598101 0.039337089 0.036113708 0.036545583 0.033617316 0.027172109 0.458598777 0.036684715 0.033739379 0.039599062 0.021589225 0.033309398 0.043553938 0.020079938 0.034799859 Phenylalanine 0.47533499 0.922650137 0.476140656 0.884555822 0.767563351 0.657141914 0.785707747 0.794323961 0.529144811 0.662262362 0.714019635 0.70465013 0.631473302 0.614725229 0.586670526 0.508959647 0.837341197 0.442915051 0.497205176 0.748118448 0.669680111 0.593117808 0.705265509 0.708420362 0.615363902 0.485467281 0.496233496 0.689074328 0.763242898 0.574385441 0.615240366 1.065972245 0.557407314 0.961392593 0.676697991 0.540797772 0.434134222 0.616850536 0.893095202 0.575206657 0.490256255 1.373376668 0.822244785 0.610193434 0.646789187 0.6422448 0.707537646 0.56150249 1.003873502 0.827557083 0.733876457 0.902916939 0.676489517 0.642308924 0.686857773 0.504659931 0.584596644 0.845423343 0.820826966 0.80084178 1.316137134 0.509919743 0.572431204 0.79181495 0.445800932 0.983390454 0.922812401 0.475907331 0.457588465 0.788175007 0.53663953 0.657138665 0.781931225 0.603027004 0.647995716 0.982484843 0.719787715 0.572267492 0.686772881 0.536390853 0.588534409 0.510071094 0.422000126 0.791714174 0.689787195 0.788415296 0.65442124 0.742438497 0.793556962 0.866468969 0.662670912 0.857037016 0.619296414 0.607175703 0.572097136 0.681980337 0.449039321 0.680211676 0.411871609 0.564863737 0.090950775 0.592671719 0.798088126 0.502722036 0.672604872 1.103848641 0.56535846 0.621075693 0.63839615 0.579190814 0.831981461 0.528913642 0.640806416 0.473106398 0.651838323 0.404303879 0.500812466 0.704140734 0.550301123 0.565266209 0.550331391 1.116369207 0.593479909 0.930831083 0.659661111 0.657494016 0.613606552 0.741837526 0.871087099 0.648877061 0.708900283 0.678287222 0.900872932 0.780657254 0.585454744 0.684184724 0.552079287 0.60757815 0.905837486 0.618351454 0.561877887 0.637582491 0.30117927 0.584673662 0.649140826 0.462656221 0.74703225 1.159095816 0.650370936 0.929253364 0.651880377 0.813097894 0.552952834 0.651293874 0.519584361 0.566992765 0.657293508 0.262471929 0.690299229 0.78073563 0.598106374 0.935059813 0.633338445 0.625114531 0.551041571 0.862217199 0.792053337 0.653078903 0.539081736 0.717000142 0.616841537 0.498167892 0.811585847 0.563362152 0.766152626 0.563715129 0.641797121 0.654629287 0.830224385 0.431111994 0.609209123 0.690570085 0.802113021 0.702331489 0.654860994 0.748513628 0.412778113 0.409824871 0.431144404 0.502247475 0.529949072 0.897471777 1.071757019 0.919738547 0.869040082 0.954602685 0.717252051 0.571153471 1.055789969 0.492161582 0.341582003 0.758532914 1.167033903 1.008642346 0.70425649 0.56322185 0.907768468 0.670927917 0.541993137 1.108273873 0.826490755 0.773519045 1.124191685 0.975719623 1H-Indole-3-acetic acid 0.024170343 0.014265026 0.01605423 0.020656473 0.029616586 0.011728491 0.041164717 0.007322877 0.007285258 0.031759864 0.01663153 0.014768719 0.010035901 0.033199952 0.00645685 0.022664954 0.018984059 0.018179167 0.01006867 0.029649482 0.010838795 0.026060491 0.077895207 0.011077693 0.051057916 0.011305899 0.028758401 0.010114863 0.013526779 0.013472704 0.030153222 0.050829657 0.008754686 0.015202849 0.00919981 0.016770371 0.007038448 0.012777615 0.014833834 0.020654737 0.013884201 0.006049388 0.018573428 0.01946938 0.019935677 0.019401665 0.026765605 0.015566523 0.007304457 0.02498065 0.009249445 0.023023618 0.304769729 0.015262023 0.017775014 0.011317749 0.301551658 0.021907394 0.012821843 0.003155724 0.020274118 0.067934818 0.005980295 0.00700394 0.055061706 0.020804729 0.023998708 0.013553287 0.014716975 0.020201344 0.010837746 0.021890218 0.018413508 0.009969821 0.009731578 0.024556095 0.014347018 0.017040201 0.012709168 0.021845841 0.007277229 0.030603393 0.008008898 0.035780956 0.012706341 0.023856868 0.014017741 0.024128887 0.014424785 0.014041599 0.006788124 0.037188498 0.018988956 0.045506646 0.024418797 0.00942019 0.00909097 0.050659375 0.013796536 0.010748271 0.003139437 0.008232839 0.013288596 0.005175827 0.030384607 0.011768006 0.026811323 0.014135308 0.015820819 0.011864887 0.014828098 0.03495433 0.050206996 0.008944565 0.006376494 0.016963011 0.014511135 0.011658519 0.01987079 0.020199144 0.01187518 0.027190368 0.020240941 0.016801983 0.016707154 0.03240587 0.016347046 0.017292842 0.021026839 0.024507462 0.019092435 0.020382193 0.011354036 0.010387672 0.035982869 0.008578446 0.036550408 0.01209769 0.021469584 0.020323018 0.01492023 0.009148596 0.014171354 0.017353717 0.01872597 0.011673239 0.0165205 0.012623857 0.027017585 0.028935602 0.029325401 0.008112235 0.018699223 0.017439233 0.019526718 0.02506336 0.015779838 0.005383837 0.027332317 0.015998031 0.051450845 0.020848133 0.042189942 0.02056388 0.030354015 0.01323027 0.009453194 0.019917123 0.014324005 0.015660893 0.033442511 0.01078983 0.315825589 0.028141743 0.022650746 0.008883974 0.011101429 0.005277136 0.024604227 0.006733569 0.013638694 0.012372263 0.033210413 0.013592285 0.012273241 0.011982577 0.025601911 0.008686807 0.011276076 0.030984169 0.059218839 0.016020217 0.010940594 0.023023747 0.015206484 0.012116457 0.019744688 0.021537448 0.009836336 0.010476548 0.008957349 0.005399261 0.011059221 0.025467455 0.016535243 0.012411186 0.036937042 0.023421965 0.229572222 0.026733787 0.011212892 0.020141319 0.015286521 0.011474922 2-Butenedioic acid 0.04523135 0.045490141 0.063678125 0.074985524 0.040161793 0.045116072 0.042608766 0.039780538 0.063174969 0.048904479 0.041149632 0.034312489 0.014058998 0.058062528 0.01272538 0.041841766 0.039064048 0.043722365 0.059648179 0.029186726 0.040705133 0.05197202 0.033828429 0.047045186 0.018706231 0.036297662 0.037335348 0.01695582 0.04150124 0.070206118 0.044293458 0.014582409 0.008104111 0.060458593 0.041883484 0.012737955 0.039497758 0.040579391 0.055143474 0.043005289 0.044486061 0.009103029 0.024549527 0.024491734 0.035191662 0.039874751 0.03804135 0.048876374 0.0360703 0.031076293 0.04888895 0.016679511 0.028334064 0.025562195 0.034338232 0.055796649 0.058238984 0.046958109 0.047217791 0.047496113 0.049842201 0.051191482 0.041590694 0.038904122 0.042567774 0.038202685 0.047250829 0.037599364 0.024802998 0.011582768 0.034120609 0.040954376 0.051095267 0.059154267 0.048742536 0.040138577 0.015416365 0.015055394 0.040246641 0.046866549 0.031949367 0.053709224 0.047235111 0.052400816 0.028413482 0.039405201 0.038064299 0.057028017 0.015496789 0.032491579 0.039724968 0.065747733 0.045035066 0.014027916 0.040559888 0.049725496 0.040324501 0.026583412 0.012694746 0.022475117 0.003270065 0.03184521 0.035572925 0.042997039 0.029702465 0.038002618 0.020986466 0.035683298 0.017199781 0.055003946 0.039488041 0.055137265 0.048524559 0.034280866 0.035739607 0.034279857 0.062040887 0.045055186 0.039787747 0.048957834 0.035093791 0.016492356 0.046570314 0.06063705 0.048069905 0.025743168 0.011393397 0.065932465 0.058237537 0.038294157 0.043288257 0.016056462 0.043424222 0.038596524 0.048632404 0.011930774 0.018729432 0.03345079 0.053359101 0.043955409 0.052582983 0.044828057 0.035347796 0.047423202 0.028662018 0.04547895 0.046131528 0.021716071 0.040680617 0.025932115 0.045087279 0.048969487 0.039474394 0.059145808 0.047946194 0.045491425 0.033653549 0.011022655 0.047453752 0.057822145 0.041171782 0.074850102 0.060122698 0.037499533 0.011504964 0.034831665 0.047877851 0.046515349 0.043200919 0.030015533 0.044397018 0.030654713 0.0311711 0.058256599 0.026438915 0.030291121 0.04090503 0.047835964 0.041568431 0.014638752 0.029420995 0.036014938 0.051417527 0.048096468 0.036706411 0.031826257 0.009319993 0.008279845 0.014373647 0.018931828 0.042490327 0.035468169 0.04110056 0.035124865 0.045356917 0.104666392 0.043492681 0.049030946 0.059811678 0.05493814 0.037095504 0.045198192 0.033365807 0.049263867 0.077376861 0.048922199 0.039607285 0.041135854 0.081883061 0.070681242 0.029347681 0.044877579 0.064792727 0.065942823 Ornithine 0.121706301 0.032536627 0.052217619 0.030995278 0.030027352 0.054454663 0.056378048 0.036019297 0.051132594 0.095573178 0.094294635 0.143208169 0.036868492 0.045140756 0.024324549 0.028982819 0.127629393 0.191297401 0.021052531 0.091636111 0.074293038 0.093443524 0.029228431 0.144799103 0.086679753 0.058898561 0.121287007 0.045334832 0.187489648 0.069231805 0.106142506 0.101276596 0.024817957 0.225877057 0.095090428 0.030108834 0.023584802 0.093020299 0.086902128 0.117201069 0.103913154 0.042811265 0.071478406 0.050204655 0.061544969 0.071113888 0.02473953 0.042371686 0.041943524 0.056822596 0.070042565 0.023293219 0.04944287 0.027821622 0.055373778 0.051337972 0.155907338 0.041512037 0.046622547 0.09615643 0.121565423 0.018055774 0.032984277 0.048780086 0.309691159 0.065534705 0.117913225 0.020131113 0.063556386 0.023107007 0.280822875 0.043755833 0.047603847 0.049430686 0.03405092 0.160652986 0.071577592 0.111124304 0.014961201 0.122107312 0.053394069 0.087354648 0.028833076 0.085121515 0.061223673 0.08974659 0.157305505 0.032735621 0.097330277 0.034252964 0.03700653 0.081311234 0.114228707 0.100766952 0.117713366 0.059812982 0.075901099 0.106635617 0.045023595 0.081759985 0.049372971 0.081118514 0.084105286 0.080971011 0.126389729 0.09070737 0.147566395 0.100618987 0.171169313 0.067435053 0.092300332 0.078574671 0.050977947 0.039063911 0.054158543 0.088444818 0.076195651 0.139489242 0.078146345 0.17641086 0.044934848 0.092176583 0.121739291 0.047350253 0.125614916 0.089667916 0.115802031 0.06102926 0.057203192 0.054870736 0.077244623 0.097480732 0.284676354 0.098296832 0.028756849 0.214936127 0.179185054 0.066875569 0.167913735 0.057843262 0.038567968 0.058004523 0.057135588 0.035496499 0.08687354 0.085936475 0.070361414 0.11514133 0.269070286 0.076935692 0.171654343 0.071664493 0.109444961 0.167710911 0.110263863 0.027362696 0.059186045 0.09006487 0.161745318 0.403061713 0.066066341 0.014615328 0.143200234 0.097071322 0.107970436 0.061049977 0.104196549 0.035379962 0.069771606 0.051413084 0.046384514 0.110490758 0.104955199 0.14435782 0.059210984 0.065545341 0.075307613 0.102329129 0.078427007 0.138568301 0.070172921 0.11652551 0.488785768 0.025840828 0.033185219 0.019046478 0.021607914 0.022984292 0.080472619 0.016644 0.117872334 0.042701434 0.019939458 0.168088049 0.073936326 0.046977205 0.013911601 0.110754722 0.211903081 0.110108612 0.070631809 0.035982903 0.058659792 0.068619595 0.075695142 0.043468269 0.08138575 0.147603449 0.028559621 0.173251172 0.019910321 0.044208693 0.347521268 0.029560366 3-hydroxypyridine 0.102926719 0.268544022 0.218020623 0.166174473 0.11854943 0.182968349 0.205401073 0.186669879 0.199944872 0.234253261 0.183571668 0.280050193 0.205194096 0.267468882 0.159114755 0.126586189 0.201275165 0.276993585 0.10811566 0.160590517 0.285689003 0.239749596 0.174616739 0.276177838 0.146716234 0.306817498 0.271719957 0.238146903 0.298577965 0.141944414 0.18660398 0.167291343 0.143136685 0.246628689 0.177482479 0.252729521 0.142180395 0.285442488 0.275802521 0.284304209 0.108842191 0.224061797 0.204347503 0.175347526 0.233687046 0.193818294 0.280726498 0.190362825 0.24876203 0.289644938 0.260760383 0.178338998 0.143065213 0.133566937 0.14427135 0.338002217 0.351348714 0.184877853 0.19856309 0.134736937 0.292739418 0.214474222 0.250728977 0.132970901 0.246850566 0.147304596 0.248550575 0.222092223 0.235123497 0.20061154 0.201057873 0.210559785 0.088671657 0.205087632 0.1781254 0.127639406 0.182430737 0.302612887 0.112955397 0.136734723 0.105424215 0.13688298 0.203731677 0.250409944 0.129822977 0.148287467 0.236355418 0.317460081 0.203017661 0.291023797 0.169792445 0.09188333 0.307808836 0.240334891 0.266907409 0.274731569 0.204571269 0.130085606 0.236858191 0.12618918 0.128052841 0.183488749 0.24093065 0.2621826 0.16005873 0.182583411 0.176026078 0.164823313 0.267542373 0.28186564 0.161494414 0.193570429 0.301166292 0.248512649 0.167386331 0.240112458 0.18398497 0.233695994 0.171654712 0.252934826 0.312937377 0.270095032 0.225590257 0.146781514 0.279272674 0.254977288 0.276492378 0.219212259 0.242258774 0.172034426 0.291444026 0.246087449 0.210737425 0.210931735 0.320054126 0.216001369 0.154268113 0.132263299 0.190009605 0.195030129 0.149321965 0.219989678 0.257212398 0.179445827 0.244979916 0.328386875 0.316370477 0.165940026 0.239240036 0.14101747 0.160783763 0.15922501 0.307013578 0.224791793 0.244982631 0.160337988 0.163181333 0.187825736 0.256694483 0.227316472 0.249963465 0.171716001 0.193120023 0.219756135 0.233014485 0.294197223 0.10312604 0.139165541 0.228998602 0.223359077 0.194475146 0.247375681 0.17984113 0.27397658 0.217539547 0.19599602 0.223923499 0.118471626 0.236662825 0.156099853 0.277862512 0.110840513 0.21838142 0.236583412 0.263723653 0.317421155 0.279913743 0.177815516 0.362699475 0.252052405 0.262594502 0.176808569 0.253544275 0.126577032 0.229244694 0.203361434 0.296111767 0.272772508 0.29536984 0.239156672 0.240033826 0.203411488 0.214040024 0.131734023 0.256336726 0.26675345 0.192461383 0.249430666 0.236202779 0.150698271 0.191084914 0.210646869 0.160924089 0.338093771 Xylitol 0.007375897 0.005898975 0.009181589 0.009446843 0.006300914 0.007673275 0.006103631 0.005083533 0.008437348 0.011308237 0.004755987 0.008264767 0.008944694 0.007671113 0.006933132 0.004154424 0.011746356 0.007466398 0.006603581 0.006791142 0.006208617 0.005829336 0.00610542 0.005772642 0.008335893 0.007573448 0.004545769 0.008470413 0.008461401 0.009883894 0.005887123 0.012857466 0.008369496 0.015576884 0.013180205 0.006962485 0.009223515 0.009579209 0.012801752 0.00654731 0.007545783 0.005837688 0.008766104 0.007478736 0.006109465 0.009487221 0.00948014 0.014535681 0.009745359 0.010154152 0.009003143 0.006892419 0.011585377 0.006815415 0.010878841 0.005632979 0.011545645 0.011672834 0.005884515 0.008890326 0.010921594 0.007360889 0.006595386 0.008846373 0.00633885 0.008100682 0.005699474 0.007133255 0.006052596 0.007020085 0.006788163 0.007134607 0.004871011 0.005154415 0.007141998 0.006517291 0.008140806 0.00746281 0.005065269 0.010509616 0.008051598 0.006045236 0.00630376 0.006405109 0.007774218 0.006305157 0.006919724 0.007049717 0.009332371 0.014819483 0.008059104 0.011180857 0.00788883 0.005954645 0.006347876 0.00689629 0.007019017 0.005513229 0.014626407 0.006045861 0.001693833 0.008272668 0.009445275 0.009015893 0.013339055 0.006349041 0.007009893 0.010939667 0.005582091 0.005662223 0.00807243 0.001106616 0.005797621 0.005235361 0.008227551 0.013110059 0.007371685 0.007912612 0.023973109 0.005762231 0.009495192 0.011964633 0.009187736 0.00708922 0.008199345 0.00517889 0.009019367 0.008631134 0.006176354 0.006250575 0.00528211 0.00982847 0.01226753 0.008087401 0.007848723 0.011179423 0.011112008 0.007432541 0.007012059 0.005144978 0.013733608 0.030730953 0.011954396 0.008012384 0.007955463 0.009191717 0.011905795 0.009123777 0.009013072 0.008427609 0.009031544 0.011212967 0.007945996 0.010310051 0.008698117 0.026952922 0.005752795 0.003372724 0.012131503 0.012681012 0.011727913 0.007348009 0.00978563 0.00586416 0.008656474 0.005591708 0.005837021 0.007270554 0.009263724 0.007857575 0.009058935 0.004983155 0.010658541 0.007018244 0.007434123 0.009930122 0.008755852 0.007203623 0.006828513 0.004980524 0.008822936 0.011706384 0.009381391 0.009426077 0.007628674 0.008674196 0.004435195 0.005070994 0.005661147 0.006017186 0.006660313 0.00556605 0.010579858 0.010533217 0.005687459 0.012346898 0.004770341 0.008578137 0.009980665 0.004398725 0.005409444 0.006618135 0.007774938 0.006326052 0.006200844 0.007275336 0.0091561 0.007614742 0.004539392 0.007743137 0.00655065 0.005289539 0.053379446 0.010638265 3-Hydroxybutyric acid 0.529750429 0.613448802 2.384034771 1.06332494 0.92457494 0.968196168 0.753884019 0.853866977 10.50185316 0.766588378 0.66675907 1.224148702 1.726659651 1.259248658 0.970485635 0.911811083 1.615374608 0.43995022 0.509919943 1.424063601 0.710911562 0.783721808 0.706377949 0.963818474 1.260040908 0.75178 0.403207024 0.606639775 1.240597347 1.842790008 1.096335749 1.008155816 0.542470028 3.492981208 0.827565602 2.404795926 0.64043903 1.525800991 1.54827832 1.827525535 0.631320479 2.374230672 0.712780839 0.623627754 0.805238682 0.593708775 4.23847305 0.538677179 0.649817324 0.828444607 2.437892908 0.788925364 0.886430142 0.808427915 0.748421095 34.06889041 0.966384733 2.76589176 0.469990819 0.429418466 0.943263272 2.051755109 0.883773679 0.906694867 0.458103483 0.818091326 1.997923668 0.552646692 6.495069073 0.829871665 1.003916857 0.58188896 0.961407744 0.467013425 1.026550783 1.657693441 1.17365661 1.368137892 0.617159483 0.508035376 0.638232552 1.008808017 1.021737798 1.335743959 0.620884142 1.311432447 1.577423337 1.080883434 0.812990783 1.02024363 0.726035443 1.222483064 1.042793067 0.535480057 1.561255399 4.685252654 3.372905779 1.121141203 0.342549183 1.163331364 0.273268745 4.2742593 1.268898462 0.430493547 3.003746513 0.921104244 1.9724099 0.658524166 1.066828082 0.642777016 0.595000246 0.31775946 1.09478801 4.43976408 1.211471176 4.089628972 1.258438652 2.544080093 0.459049446 0.565442564 0.994593795 1.087481838 1.234385324 1.485040022 0.339968985 1.058044325 0.854091471 6.816523949 1.090145374 2.219321311 0.757012571 1.857363628 5.604911094 2.423474012 1.383999751 1.841817688 0.621598005 0.734453444 1.416242099 1.634579016 4.484728411 0.536651844 0.329096202 2.185684886 1.311355518 0.73197064 0.732028426 2.558443754 0.801058054 1.064997255 6.097553831 5.730477432 0.776014499 1.351731775 0.594371929 0.631376447 0.449085568 0.805399623 1.116799126 1.338472791 0.540059805 1.247068426 1.497756243 0.609027139 1.970410762 0.651447637 1.716986716 0.747297876 5.373075964 0.824791086 1.376074628 1.604232107 3.16444479 0.860379506 1.285373927 3.698090317 0.733859372 2.442907523 1.419776967 2.437351607 0.351774353 4.877163008 2.421040008 0.405677131 0.575933364 1.214979232 0.845529629 2.452751934 2.532422134 1.271110124 1.34412561 1.310139833 3.459382538 4.793353835 1.38151447 3.847949051 0.505938453 13.66323567 1.09202615 4.244032202 4.682458918 2.513820188 1.207568705 0.772241805 0.63463261 0.353484361 1.176440284 1.013410009 0.651117613 0.5996316 0.904904113 0.438585843 0.815094168 0.964913491 3,4-bishydroxybutanoic acid 0.035621052 0.089304694 0.062203759 0.040314158 0.040422861 0.053326713 0.053865371 0.041248565 0.074891966 0.067026621 0.043841044 0.050769132 0.124244297 0.0498842 0.037544643 0.02979703 0.046505815 0.063309612 0.050613469 0.082277752 0.048824342 0.069564414 0.039566928 0.065589024 0.047275452 0.043872111 0.042480805 0.056428319 0.042409417 0.038531341 0.047088946 0.218027662 0.050342616 0.039428567 0.052329501 0.040668867 0.052336531 0.136502091 0.112425604 0.058243427 0.051421116 0.059189777 0.033773027 0.057717966 0.05494826 0.062900518 0.078710311 0.060088402 0.073043349 0.080020391 0.116397824 0.04183188 0.050659341 0.033597437 0.063966987 0.045494811 0.061200592 0.08093349 0.057896115 0.057265875 0.110808983 0.045256973 0.058055629 0.061033282 0.090308188 0.073514065 0.055202691 0.049784207 0.065526951 0.04211108 0.090576631 0.037314468 0.046055777 0.0381979 0.042947798 0.056340576 0.063858815 0.050192777 0.048210539 0.023104459 0.041933523 0.038917565 0.066977357 0.108114989 0.037794238 0.05666518 0.049544836 0.053075724 0.093844362 0.036739726 0.05524711 0.039748247 0.089716345 0.056892353 0.049529855 0.044752867 0.062718828 0.05849409 0.042675395 0.051471266 0.011409552 0.039755132 0.043512 0.042222584 0.106290258 0.066219929 0.033113642 0.042120052 0.05474213 0.074272661 0.06331966 0.043356964 0.05568182 0.046745387 0.035191229 0.059908795 0.070225598 0.06502142 0.068621191 0.064605012 0.063244596 0.082503587 0.060270237 0.04633382 0.120859256 0.075967845 0.090823921 0.142185086 0.064222717 0.100919221 0.112273528 0.070898665 0.157039464 0.050886833 0.053145181 0.079261524 0.103439229 0.035291755 0.080332009 0.083849986 0.075182106 0.059263745 0.044634056 0.159879586 0.047250574 0.054901332 0.100554344 0.040073015 0.080149333 0.085128278 0.077293127 0.04858631 0.078251915 0.10787113 0.053924895 0.038392402 0.029815657 0.01736104 0.075582118 0.080237314 0.069837203 0.126072299 0.071420317 0.061330556 0.117233387 0.059807364 0.051458122 0.070684437 0.078008624 0.066859975 0.058288205 0.054589468 0.396997474 0.049406999 0.051594071 0.049287786 0.070757529 0.029134743 0.073281521 0.047542771 0.054486154 0.059781098 0.084087372 0.059036641 0.064719005 0.070168983 0.038852415 0.032823368 0.041203443 0.043099408 0.051894893 0.086804835 0.115303268 0.092681566 0.082528902 0.12200385 0.053362086 0.122884171 0.067937519 0.051964292 0.040219694 0.066753156 0.088033655 0.061503522 0.065761426 0.047563934 0.042003933 0.053454343 0.068137936 0.078086291 0.081309948 0.033507103 0.108854714 0.059733128 cis-3-Hexenyllactate 0.192091984 0.232124866 0.168675985 0.175069717 0.171625091 0.172928691 0.178143946 0.174728474 0.203428637 0.249341838 0.207283857 0.186069841 0.177201804 0.223498819 0.210218488 0.152522404 0.187809857 0.23152955 0.193062509 0.174589937 0.16838794 0.214003018 0.174363595 0.229625097 0.185724783 0.162517795 0.184892185 0.19150261 0.16791457 0.200122088 0.228224657 0.221646629 0.159454005 0.258273216 0.147896571 0.183490901 0.194616911 0.197619905 0.254531681 0.214059171 0.304012499 0.18146089 0.158524904 0.16016363 0.202480973 0.179620271 0.186233056 0.205642371 0.152532525 0.182099417 0.230575591 0.257392319 0.145106153 0.157461311 0.195398325 0.176819455 0.269589629 0.210353226 0.240635923 0.216218768 0.226724187 0.209733097 0.171576172 0.216750036 0.222352343 0.198749128 0.23114179 0.16933864 0.137611921 0.178326224 0.194981534 0.21861514 0.158644323 0.206670759 0.176457433 0.168382829 0.182471954 0.180122126 0.17705857 0.201788143 0.182882716 0.153005312 0.21583882 0.215874843 0.173366199 0.215199966 0.182622247 0.238142855 0.187268982 0.138124162 0.186986866 0.204593405 0.245627582 0.164049494 0.197228785 0.223629173 0.186236341 0.169201711 0.181643965 0.139400734 0.046266562 0.152941597 0.187162913 0.176574522 0.158754307 0.167736017 0.159130133 0.176940471 0.146578819 0.212947134 0.176395575 0.199175855 0.230862152 0.167319534 0.157430687 0.167374993 0.200488412 0.217390307 0.15200387 0.210767406 0.168762385 0.207119909 0.201828119 0.217815341 0.239131121 0.153034491 0.180126564 0.25606808 0.251553046 0.186787868 0.167653063 0.181096489 0.229365979 0.175697333 0.226649543 0.144986701 0.1461659 0.145860571 0.199705978 0.207337835 0.180468272 0.228574636 0.1480306 0.18945394 0.168222198 0.176931027 0.20207166 0.1378973 0.193916986 0.17241303 0.220689264 0.23052292 0.1966912 0.271520373 0.251207516 0.186960438 0.135838122 0.093328602 0.208068256 0.203817761 0.17846304 0.190748039 0.168417307 0.175049871 0.18292367 0.176828676 0.189417715 0.202113494 0.183734405 0.169377588 0.204106326 0.165852995 0.14664766 0.280273596 0.175088479 0.152672688 0.193686837 0.128963936 0.205247267 0.154660418 0.167542284 0.160559352 0.214109492 0.231927432 0.174213073 0.173665343 0.174331293 0.155951518 0.17115302 0.203261806 0.207124449 0.200300308 0.224678437 0.194228336 0.239054149 0.230219121 0.172080283 0.204106949 0.251184971 0.202819171 0.171154039 0.220922235 0.178111888 0.220787758 0.233839603 0.22704208 0.199420211 0.20709005 0.239229242 0.216933995 0.175590754 0.251311863 0.199053524 0.244601461 Nonanoic acid 0.02160678 0.010430692 0.010303158 0.010261959 0.023721598 0.015823711 0.018861704 0.039412415 0.012892016 0.055660433 0.025606991 0.035884361 0.021641649 0.017571961 0.041735366 0.028736461 0.014907225 0.051317906 0.012929508 0.024738459 0.024442378 0.015963776 0.011993908 0.016291153 0.024354896 0.017811599 0.014540218 0.045419349 0.020080509 0.01355729 0.01495272 0.037243202 0.023688923 0.024472152 0.017297801 0.035429697 0.024707548 0.020417262 0.026334503 0.010596916 0.010263183 0.035245427 0.017463431 0.029342912 0.047250373 0.023981122 0.030633632 0.03013359 0.017048527 0.018021429 0.015822013 0.098439198 0.025480396 0.037473908 0.033912579 0.017914062 0.021989176 0.011711145 0.018929399 0.03382966 0.040008678 0.013295413 0.008553256 0.018025663 0.015113622 0.028589654 0.038880967 0.018453074 0.013874868 0.037815369 0.029227386 0.016971508 0.00934134 0.010877999 0.016221235 0.021233341 0.017909073 0.02612398 0.026123976 0.008739369 0.036167792 0.01122371 0.013956205 0.013556937 0.032349533 0.028705616 0.035708994 0.013938736 0.03854566 0.022104495 0.013905192 0.0140537 0.017544084 0.036958332 0.023913498 0.014447607 0.012475513 0.018731701 0.043224495 0.023176989 0.004529958 0.01487527 0.032346345 0.011984931 0.0340536 0.015308989 0.024609182 0.041390607 0.017892355 0.011111623 0.021354598 0.009504574 0.035453835 0.01829821 0.018984163 0.027184079 0.020687102 0.014466612 0.027567728 0.013341615 0.01030272 0.038070997 0.012303977 0.015032707 0.017223314 0.018648771 0.033751253 0.018671751 0.017747026 0.01638002 0.018497748 0.028117448 0.04041973 0.029466892 0.02404046 0.035649206 0.016253098 0.010639174 0.012591969 0.021696501 0.010263091 0.016195757 0.021717799 0.029778668 0.022070292 0.018143008 0.017606446 0.023680404 0.033912616 0.033731839 0.036300795 0.034331918 0.014147011 0.02022939 0.015555847 0.017364023 0.007948896 0.010839383 0.020888966 0.010308611 0.019636766 0.017441796 0.012715703 0.030286156 0.043485625 0.023691626 0.010200937 0.03658456 0.012144135 0.042193914 0.015371148 0.034155826 0.024827387 0.020810891 0.043150323 0.022555371 0.028975858 0.016335757 0.019943946 0.022397996 0.022312506 0.035537152 0.02072633 0.030758497 0.023985626 0.021200515 0.019910449 0.04200462 0.027686901 0.048322653 0.044438209 0.087362337 0.081301096 0.040883436 0.074437933 0.056628406 0.033220979 0.020703188 0.01142342 0.012262183 0.0150063 0.075605557 0.014203818 0.010493277 0.012648666 0.028797989 0.028494825 0.033298973 0.013856155 0.010207454 0.049562105 0.03744789 0.009355577 0.015583473 2-amino-6-methylaminohexanoic acid 0.021897277 0.012752906 0.049589485 0.018460948 0.071637903 0.075290971 0.008089082 0.008041381 0.089231816 0.01226933 0.053304834 0.008457494 0.073181226 0.038594074 0.027558897 0.019485482 0.01657564 0.058564993 0.019480229 0.011351553 0.015644881 0.009557017 0.008771087 0.01669567 0.012268486 0.012937737 0.029609819 0.005792401 0.005820843 0.009836079 0.067821407 0.008946047 0.017188847 0.013226387 0.013872085 0.024855358 0.018102565 0.016267362 0.032088738 0.023331205 0.006395816 0.013360618 0.010253082 0.009190949 0.022650244 0.008944193 0.055401306 0.010718127 0.065143422 0.010468304 0.013017666 0.04907898 0.022552875 0.01626385 0.014276787 0.009836037 0.017850478 0.015857448 0.012833841 0.082590017 0.012586963 0.00513632 0.039441761 0.01408566 0.012583282 0.022866127 0.058912666 0.010127796 0.012632097 0.011124493 0.010346584 0.011892123 0.016739423 0.020895518 0.073245881 0.081773482 0.029493627 0.016192474 0.014315503 0.007284206 0.007082821 0.014665105 0.015925988 0.068564997 0.058955685 0.021345469 0.009559564 0.007504133 0.017378049 0.007037522 0.013252302 0.024370829 0.009207399 0.005033396 0.022325345 0.017759188 0.022498286 0.07328434 0.033861912 0.010721647 0.008773934 0.009998267 0.009993526 0.009356579 0.012046586 0.037549672 0.005833423 0.007520032 0.074375499 0.005433882 0.012603863 0.035019145 0.015926613 0.021292053 0.005246908 0.012803942 0.010725585 0.013579509 0.025036666 0.021203862 0.008720899 0.037137008 0.051346021 0.063788092 0.00777747 0.012456193 0.034477599 0.028435594 0.014704375 0.086622204 0.052010377 0.068935476 0.016725469 0.05844625 0.092264561 0.010748616 0.041966245 0.00598643 0.012177602 0.017336864 0.010824756 0.016976603 0.009147966 0.014135064 0.011915139 0.007704853 0.006478112 0.013653703 0.014209779 0.057756878 0.021629149 0.014408722 0.013288867 0.053646879 0.008342938 0.012983662 0.0194026 0.005227573 0.049978406 0.02802562 0.012790046 0.01421725 0.026567357 0.015425851 0.006418094 0.006599455 0.014162505 0.025039806 0.052965721 0.018096766 0.099654605 0.00645623 0.011662416 0.009836614 0.010559473 0.01461425 0.012724433 0.00917169 0.011962894 0.005106847 0.008754441 0.016872096 0.005466852 0.013076349 0.021343932 0.040081512 0.011669951 0.007727824 0.040280406 0.006493472 0.018000375 0.01590236 0.021455429 0.076821265 0.014759438 0.024397447 0.036159266 0.052104752 0.01362799 0.007548019 0.005143297 0.022195717 0.012344382 0.016380237 0.017139928 0.016308446 0.02375093 0.012347651 0.005098995 0.01492589 0.059814303 0.010509375 0.019905676 0.006271642 2-oxo-3-methyl-pentanoic acid 0.154060564 0.039426297 0.052525855 0.139673845 0.100677438 0.085841353 0.066492481 0.033694112 0.074927151 0.034035932 0.080268091 0.085724374 0.066345705 0.032430449 0.144784264 0.113125733 0.061215212 0.074699126 0.157161397 0.106094672 0.056051307 0.063152223 0.047108088 0.042826711 0.105930092 0.029520091 0.053750482 0.095356012 0.054089661 0.118606685 0.093825874 0.15968881 0.130844056 0.063355112 0.062053049 0.047596255 0.096582673 0.047424043 0.03427934 0.031496741 0.04105195 0.16450082 0.091978186 0.080587198 0.051486817 0.108461473 0.026190035 0.090976132 0.024707713 0.054903168 0.067974816 0.050081759 0.079017137 0.105772609 0.124694005 0.056936988 0.042168884 0.068309935 0.127027894 0.146682444 0.047582952 0.08699872 0.053250444 0.126490761 0.0283632 0.095463922 0.095744526 0.075419668 0.043983806 0.087107139 0.104329141 0.05714504 0.151303084 0.11021709 0.095907304 0.098343145 0.065307124 0.023516693 0.133422101 0.110555163 0.159487245 0.083376748 0.030698464 0.077686495 0.106544862 0.130529371 0.056434359 0.076686034 0.066554119 0.04089605 0.087074251 0.115521869 0.034085291 0.06464223 0.050580554 0.035136219 0.032927325 0.071822762 0.03147516 0.083103676 0.039900308 0.05135781 0.048729617 0.045472593 0.105127459 0.073180881 0.093768739 0.097909962 0.056485366 0.039752498 0.11891447 0.10248642 0.034385364 0.058602915 0.077515647 0.048675427 0.082637157 0.03753745 0.091587525 0.034630526 0.043254886 0.047992244 0.033184676 0.148530664 0.05919002 0.023340652 0.067426788 0.055135225 0.042247652 0.05015464 0.036400427 0.05334472 0.093115015 0.055986655 0.036923122 0.065198176 0.106665973 0.028435654 0.038820237 0.048788059 0.085920054 0.093103941 0.038391275 0.101865805 0.028904869 0.040283866 0.077135042 0.060014857 0.062639235 0.085247263 0.149238698 0.115927856 0.062410878 0.036220433 0.05908353 0.098643026 0.071984701 0.040554729 0.031507104 0.071481751 0.046982017 0.085591359 0.058592741 0.054671051 0.125856821 0.047363869 0.091266462 0.106265836 0.052592942 0.052467645 0.05173952 0.067485741 0.085836921 0.08741318 0.084522294 0.043155967 0.027999035 0.089962387 0.038541594 0.127374178 0.027331524 0.142335023 0.073221943 0.060283624 0.052338405 0.044897516 0.127709841 0.09604753 0.037283636 0.104047079 0.039402245 0.064100292 0.042544538 0.061053024 0.054738971 0.067922293 0.034671619 0.05216909 0.042292641 0.095152089 0.036068284 0.094685467 0.036150056 0.039494917 0.034717338 0.0319165 0.070531743 0.042852497 0.086105807 0.039438958 0.06407035 0.099355929 0.042285983 0.043225142 Methylcysteine 0.028661892 0.034106209 0.024439558 0.022177558 0.02419863 0.020566225 0.028332767 0.016452053 0.03577509 0.047422383 0.037809745 0.041481104 0.0528534 0.02137627 0.050483797 0.05350022 0.05106439 0.053518818 0.022134794 0.037217726 0.024907824 0.036920173 0.028480177 0.031522435 0.034319916 0.021773866 0.035082046 0.06292682 0.047039578 0.02466812 0.026324779 0.029248809 0.024346038 0.052284338 0.026783662 0.018963709 0.02559889 0.033776183 0.033963122 0.020342902 0.029326065 0.018105697 0.034096916 0.022956471 0.027694966 0.102927195 0.066650765 0.091382547 0.075962185 0.030620373 0.02343124 0.020222537 0.022316626 0.02818101 0.023153665 0.034843468 0.027133611 0.032428852 0.017961196 0.08135453 0.091224865 0.022532606 0.016222139 0.020558724 0.018862187 0.034975598 0.21829151 0.02259451 0.020813366 0.014478762 0.033112735 0.080350113 0.046927484 0.024491451 0.041090799 0.061953305 0.047170404 0.026746571 0.050116668 0.067500861 0.058729607 0.055946986 0.023107444 0.08597149 0.015395488 0.025320339 0.080648365 0.027358526 0.031735388 0.024210655 0.038414307 0.038314876 0.019247421 0.020775699 0.024915065 0.020158695 0.042093033 0.06951751 0.072442037 0.022080573 0.006339499 0.031110308 0.026457483 0.029946331 0.023728658 0.054844354 0.052341456 0.043423596 0.215079849 0.023804374 0.025054448 0.032354429 0.071040091 0.084240443 0.025703769 0.023010767 0.021173823 0.025330183 0.017325502 0.061541466 0.022759696 0.024697081 0.02197961 0.01800873 0.030086734 0.022771465 0.019776787 0.030245315 0.027729265 0.067268378 0.027050261 0.041681726 0.044348992 0.02405836 0.026473177 0.046857177 0.036182201 0.032074416 0.057792027 0.084483208 0.034437276 0.079015372 0.051217901 0.01592361 0.037507762 0.024253737 0.021584954 0.022437226 0.058246456 0.025922401 0.028188899 0.02336009 0.037362533 0.058716062 0.034877164 0.021284943 0.048070999 0.016960175 0.02241261 0.057904359 0.050119779 0.023262253 0.107900431 0.023829889 0.054456302 0.044511862 0.044827503 0.032899576 0.024887524 0.061332474 0.05588934 0.043695345 0.024239991 0.027660688 0.02725509 0.038540222 0.033556352 0.035034671 0.032812042 0.029601179 0.033436936 0.048016702 0.046623178 0.035008573 0.024027162 0.017928318 0.016008448 0.018374579 0.028307114 0.029687411 0.024987181 0.014278237 0.043209875 0.051122314 0.017328423 0.042261481 0.018504815 0.04049656 0.02602595 0.037659236 0.026005617 0.029289301 0.020079126 0.025577261 0.017367717 0.019379734 0.040420814 0.033981215 0.013006 0.019830321 0.017816133 0.021632758 0.029698445 0.018008427 d-Xylose 0.006806071 0.010486462 0.008850777 0.014246569 0.009762537 0.006801627 0.004967438 0.011889604 0.050914465 0.01298634 0.008345722 0.016071692 0.009344295 0.003659737 0.010499806 0.007507961 0.011437456 0.046560011 0.050193814 0.010664897 0.008998207 0.015585078 0.009232665 0.009518829 0.011972908 0.003013926 0.002440597 0.016153381 0.024809616 0.004071579 0.010112212 0.027803387 0.014424799 0.011757943 0.007485051 0.003309485 0.008496436 0.006552007 0.050497592 0.014071758 0.010151819 0.274268417 0.009624655 0.011960438 0.022537409 0.013658321 0.010520081 0.012010154 0.020262097 0.016236756 0.01381605 0.011973864 0.012966594 0.009625778 0.015665441 0.00789377 0.014302223 0.01581421 0.011106537 0.007474427 0.024793394 0.008894589 0.014233219 0.012386656 0.007268748 0.019612682 0.013952982 0.010663514 0.001859283 0.010358961 0.009324427 0.011356172 0.003991629 0.11140812 0.007970966 0.011379536 0.016403777 0.010861461 0.015513162 0.046789925 0.003416152 0.061526792 0.011170099 0.010271772 0.007968499 0.009022179 0.010383093 0.017442037 0.022557023 0.021104213 0.010827683 0.007868054 0.010861279 0.008481254 0.009096389 0.005751913 0.010315288 0.019005948 0.020368134 0.001949986 0.00119028 0.011609816 0.006184661 0.021106809 0.013281612 0.008027315 0.00735111 0.039077432 0.010854643 0.010528224 0.028976106 0.003595559 0.008817292 0.004774679 0.011121284 0.007334018 0.002924922 0.004612587 0.011733814 0.005900954 0.013246937 0.022438113 0.009080505 0.005507206 0.014291035 0.010652674 0.063785148 0.007906386 0.004057618 0.015177548 0.016569502 0.011417872 0.020928698 0.010231706 0.005055129 0.014432091 0.007648528 0.008209504 0.006229697 0.006155442 0.005051281 0.030476531 0.020782381 0.005104765 0.015332743 0.034152904 0.016612689 0.029223272 0.015112684 0.015599926 0.0204461 0.012503325 0.016671323 0.024006128 0.010286733 0.009773849 0.01673982 0.004726711 0.01180273 0.021173743 0.006571639 0.120622589 0.024434422 0.013006686 0.260326002 0.013711203 0.00803233 0.015568332 0.007814394 0.029524208 0.018927469 0.005629395 0.030475077 0.00910256 0.011109614 0.00903735 0.016688755 0.006084873 0.003891138 0.170780281 0.01539877 0.010630451 0.01106257 0.01852283 0.015495843 0.010000096 0.007655905 0.008579762 0.01052032 0.007841125 0.007855795 0.224458027 0.017729266 0.018807372 0.004436658 0.01676776 0.004785167 0.015329209 0.007766469 0.00938179 0.003545239 0.009142936 0.016199408 0.01508129 0.004829729 0.00486023 0.008654379 0.042733739 0.007721017 0.003799283 0.010300537 0.010753961 0.02371362 0.004891807 L-Threonic acid 0.041998546 0.013823113 0.048657433 0.03894464 0.022018542 0.022075966 0.024989498 0.015652597 0.03819748 0.047074792 0.027944828 0.037223938 0.064782925 0.014475985 0.1164809 0.032393824 0.020415539 0.036880516 0.024217167 0.064607436 0.029745566 0.093918681 0.0076296 0.061260738 0.033130646 0.026313752 0.069663694 0.053867106 0.03045177 0.029098998 0.056807541 0.091660642 0.066775045 0.064851879 0.041912311 0.070859638 0.010966542 0.084973439 0.087700741 0.031655541 0.012261835 0.007560798 0.00693853 0.034082776 0.043016416 0.061044798 0.037255813 0.043934582 0.058511655 0.049319024 0.039866687 0.014913852 0.021234596 0.013625765 0.10384375 0.06490049 0.029804392 0.056304568 0.023101552 0.008667774 0.021784187 0.069230255 0.053678092 0.026684428 0.039255079 0.02589427 0.01279127 0.035220624 0.020957472 0.010042739 0.033232752 0.036370109 0.034815934 0.064861556 0.02049515 0.056397135 0.117579175 0.035843769 0.03960363 0.083779249 0.034805426 0.034078498 0.017921596 0.048965745 0.024514174 0.035764255 0.064339585 0.051245872 0.041635778 0.032209234 0.025839478 0.045048858 0.019794307 0.064221665 0.043791775 0.036562108 0.051960065 0.048318544 0.168460056 0.038852914 0.008000824 0.03923914 0.050804072 0.075434942 0.063499262 0.063689757 0.056479092 0.06667766 0.024489825 0.06107141 0.062714097 0.053877163 0.071704087 0.030988634 0.05449844 0.054529566 0.120018391 0.01541089 0.069049626 0.036568495 0.025355244 0.04699899 0.020286773 0.036599959 0.018241091 0.0942412 0.149217842 0.123019482 0.031282317 0.049978018 0.077166392 0.067861248 0.042715693 0.032031331 0.016481343 0.077186511 0.060617124 0.035233156 0.074287186 0.040722983 0.080272514 0.077226467 0.044397012 0.062451739 0.060077334 0.077155779 0.033791317 0.068913307 0.039427598 0.116868055 0.007889528 0.028557312 0.085951111 0.092629261 0.116189213 0.028219371 0.073362703 0.012674907 0.049553801 0.026424574 0.109558676 0.052068526 0.02596164 0.076260439 0.025276633 0.09425082 0.04093939 0.072531221 0.206233532 0.05330164 0.010018881 0.037720794 0.012341104 0.027028922 0.027706586 0.127625763 0.01516908 0.031402026 0.031353576 0.042274946 0.141861075 0.164299254 0.126574595 0.151797094 0.009400613 0.024702254 0.044563161 0.062042343 0.065862703 0.014591329 0.077582546 0.056859575 0.013352195 0.133943962 0.05791648 0.014096738 0.049730317 0.073768619 0.072956104 0.030743635 0.074984557 0.045006431 0.047342468 0.072165306 0.056270936 0.103251469 0.051357641 0.061087333 0.04103649 0.016000751 0.018772604 0.066182839 0.045111558 0.012623695 Mannitol 0.29811855 0.005293218 0.162096999 0.055486674 0.013652673 0.044491668 0.096082072 0.010417711 0.007130782 0.009675741 0.013525002 0.013191838 0.012161315 0.005707039 0.067536815 0.001116745 0.005617085 0.666497843 0.004463918 0.040684345 0.034011473 0.053086059 0.006887001 0.008085522 0.009698161 0.006698705 0.014516032 0.018803674 0.008528789 0.007899239 0.023565699 0.017812574 0.094781192 0.009728548 0.006594139 0.009016821 0.013386221 0.010896375 0.010735588 0.005925057 0.008303804 0.006498342 0.004666678 0.008272264 0.012650997 0.236764182 0.006766562 0.201249534 0.033250401 0.010027967 0.054982098 0.00787561 0.009056763 0.002442809 0.124404295 0.005503492 0.009246317 0.009942168 0.007065206 0.011309411 0.213634205 0.005967793 0.012937838 0.022491018 0.009031636 0.011387029 0.009827834 0.046903763 0.011403412 0.009292199 0.006016603 0.013214361 0.014199689 0.009064889 0.026740557 0.011237983 0.021378902 0.063892192 0.03966026 0.025969554 0.133172501 0.007721475 0.012120383 0.010588364 0.011821832 0.01320669 0.05315352 0.093098692 0.671647828 0.016714903 0.014300901 0.008823627 0.082961121 0.063222842 0.007139263 0.006791741 0.011048779 0.187015188 1.211789448 0.013328794 0.023356801 0.198476782 0.041201744 0.011398897 0.011791188 0.036646517 0.007244626 0.023674806 0.133168766 0.036374167 0.879463928 0.017674016 0.006401733 0.030583158 0.033750848 0.005424298 0.032783669 0.030171109 0.138750968 0.020375385 0.007760793 0.013348988 0.021901845 0.015442457 0.013501274 0.018229238 0.052471603 0.017088101 0.011363374 0.011299806 0.036996819 0.1677458 0.354862273 0.009474297 0.018064562 0.006437075 0.019677016 0.006166089 0.010722574 0.017142292 0.017436064 0.011234642 0.029929718 0.2383125 0.014556114 0.017552863 0.012870776 0.331049909 0.009979452 0.135872733 0.04200305 0.106103867 0.0188128 0.026400347 0.009061951 0.006522725 0.055061986 0.011134324 0.009323178 0.677984353 0.048323393 0.011959362 0.034684634 0.107358829 0.008308943 0.027557099 0.008895874 0.011048635 0.011394135 0.02089311 0.008566859 0.211552964 0.120668492 0.008047005 0.019946069 0.010845438 0.019638061 0.006604124 0.020064017 0.003553382 0.011247064 0.008360239 0.014878455 0.011202316 0.428314635 0.006387702 0.004018421 0.021964484 0.013401088 0.004820246 0.017515009 0.008117379 0.011251907 0.009375563 0.010009372 0.013821245 0.007487952 0.025758862 0.012769444 0.007665944 0.004632733 0.005101636 0.026669878 0.011657409 0.007479593 0.008182996 0.015750736 0.016969473 0.011859228 0.014159991 0.01422465 0.00761296 0.017833349 0.008740223 Glucopyranose 19.52148167 14.43750942 15.75831737 14.81314703 4.59640526 23.40207003 14.70782226 0.706571098 8.147234934 26.02133762 15.74907452 28.03703739 13.09556491 11.3301249 5.767533443 0.87323098 2.370290746 30.53470613 7.574997544 25.36166175 16.56354299 31.30661453 32.53997089 41.58439134 24.09725757 15.02886976 27.97975944 23.18023142 54.57626822 14.53652952 38.62118822 5.027094509 10.03244019 61.62440209 16.03715683 1.002602109 12.89349318 17.96635805 24.43414444 43.13482482 28.03067606 1.839655809 14.57804735 7.769575465 19.93951854 2.462720563 13.35872931 8.181155535 15.76429341 1.000887904 24.55805475 14.86921832 2.343040165 1.239417546 13.53802699 9.467196299 68.0488652 14.52288074 16.07037235 24.33614731 1.359928633 12.39120819 9.511421237 21.47209872 57.32985798 1.712409689 54.39920439 17.21803406 10.54893266 1.085301366 56.4139282 7.037947414 14.59104598 11.12009559 6.987475781 49.2998749 13.05069703 20.36945757 3.142533177 40.51838632 10.01076269 20.54191158 5.663378534 12.54632484 19.08807097 24.99598483 50.15533839 34.23183128 25.95916821 33.80319761 11.64496499 37.38207031 39.94579435 27.89704743 22.3781111 21.94909997 21.07010426 27.17900328 2.416859588 1.077096335 9.191492053 0.758266891 32.97928209 26.71391044 4.176688631 32.68347234 33.23589115 27.39821896 29.96421414 22.17128406 7.04820279 28.05251922 12.26558493 12.68291054 15.57366935 15.8899798 23.01541618 32.81624528 2.588102804 42.59918215 2.591487573 3.016347732 3.395059612 11.59931419 20.39786325 25.32775744 42.07863034 20.63674089 14.02910788 5.791009161 2.080308722 24.54661917 36.27190152 3.904136447 3.208850282 2.591570291 32.60328268 35.0966489 62.16556447 1.577212043 14.80431252 17.84076071 1.847162021 7.459183715 16.39682549 21.93140088 20.22701837 45.25463868 6.507071494 28.29375874 39.78905927 14.38575906 31.28866056 35.11750357 39.10699333 6.560960335 27.52619982 20.0570082 29.37684823 52.59478857 1.929568436 8.449922269 51.53227954 26.42035105 26.37239286 11.70970258 34.85296043 14.14956428 22.03729828 15.06708665 11.32365177 21.53464245 3.262899937 38.71254195 12.56975136 20.5725137 26.35040746 4.956049915 23.261667 21.56242509 15.51161941 31.58050774 88.30561475 0.720464348 15.78431249 4.65644062 4.600317291 2.959108896 1.925239383 9.802925119 4.333174927 1.203679631 13.78098794 32.9738682 18.22513064 13.86211728 5.310114639 31.99681113 58.46017316 28.39675274 17.74371074 8.652588973 16.7966268 20.67101291 35.93135613 1.868892668 29.47585751 2.984174504 8.395518057 50.55147417 18.46048492 2.883354259 109.3303938 12.35780729 Aminomalonic acid 0.38111295 0.372476426 0.146668588 0.143858191 0.262851517 0.220340555 0.307139534 0.167156182 0.124174681 0.76193966 0.381114872 0.163870952 0.087574329 0.295997899 0.078074549 0.263672796 0.395517749 1.167218849 0.107093463 0.357708778 0.606053067 0.472970438 0.148570728 1.068460043 0.328750649 0.573971888 0.369224006 0.909507249 0.785006704 0.251234715 0.351595394 0.208936568 0.316836237 0.542175631 0.845008742 0.14908706 0.393006495 0.75272619 0.384437357 0.480008018 0.462919939 0.114079712 0.252196217 0.227358362 0.494923196 1.818582945 0.153567331 0.634825229 0.321928028 0.425515451 0.51793203 0.08947329 0.092612091 0.206065614 0.241442077 0.296964831 0.485101578 0.571081119 0.24831069 1.374010044 0.510880438 0.22079106 0.404702094 0.301715594 0.113537387 0.857132219 1.622065099 0.497458134 0.437656097 0.213897901 0.348243506 0.344451476 0.158020596 0.193249275 0.09937956 0.272790314 0.206690417 0.076829242 0.119443646 0.624973162 0.194536009 0.142574405 0.430667073 0.489106359 0.245249125 0.309420303 0.30473347 0.392121043 0.46687943 0.140632208 0.331156328 0.202790901 0.35164666 0.830492402 0.517813464 0.788715801 0.471067915 0.882331815 0.996990843 0.289508259 0.071470952 0.276761794 0.658216232 0.710612428 0.234963281 0.44566434 0.317810335 0.379154945 0.253112807 0.35814991 0.616690967 0.461411353 0.483735067 0.359132731 0.239692253 0.59800954 0.909595144 0.620832212 0.384222911 1.042079543 0.749560162 0.327692565 0.175103866 0.136451736 0.167725924 1.084258505 0.707176069 1.210796867 0.411359214 0.346723819 0.74613018 0.347551997 0.781625568 0.218036844 0.235697914 0.113414008 0.579297191 0.466407103 0.513366102 0.82597932 0.22051906 0.769787199 0.438748155 0.150370451 0.44173973 0.946217722 0.176528372 0.507234659 0.550796954 0.477906323 0.605800598 0.174587002 1.80749457 0.908108489 0.599720393 0.094387259 0.174480802 0.499602262 0.551945686 0.54561424 0.589756015 0.082036465 0.214436348 1.070533021 0.392042345 0.397498902 0.366172666 0.49606185 0.331585276 0.427973385 0.63369912 0.36499245 0.151809762 0.575492532 0.258840875 0.42199378 0.403419935 0.353663402 0.456525201 0.480800648 0.620958217 0.689325668 1.240750747 0.391288621 0.340977513 0.446109844 0.040795437 0.052088211 0.301966206 0.079432028 0.426667412 0.726773225 0.744331538 0.425949715 1.020873375 0.646941652 0.29510539 2.258945235 0.305430127 0.798256713 0.976117813 0.137738549 1.956829472 0.261643012 0.097459797 0.458044478 0.300771204 0.609414475 0.146092043 0.07568321 0.284933903 0.846623406 0.049127054 0.159250855 3, 4 dehydroproline 0.027126963 0.043210068 0.024765826 0.044309221 0.0599412 0.023929519 0.049476855 0.050852896 0.039861441 0.069339414 0.060620725 0.055697896 0.037509772 0.033408403 0.047107973 0.036452412 0.042392033 0.029087122 0.038243865 0.046750789 0.047281877 0.031038111 0.011945642 0.057641458 0.052398204 0.052256927 0.033446175 0.075760801 0.046945958 0.057651875 0.017611723 0.083065581 0.066194207 0.035646037 0.068287849 0.054854089 0.060252222 0.026304323 0.002512642 0.040510851 0.032861985 0.035031052 0.031326869 0.029603764 0.039999137 0.064758296 0.003162019 0.064862752 0.058214204 0.032910713 0.039522811 0.001759927 0.054340997 0.02319441 0.024849066 0.023834043 0.041410149 0.074029311 0.028886172 0.065373241 0.077213516 0.072493393 0.061456265 0.054239473 0.001751112 0.091561125 0.040294761 0.054866582 0.027416229 0.039529713 0.016316238 0.056627172 0.037726705 0.047462083 0.017825304 0.006692199 0.057211367 0.003790527 0.05218479 0.029352007 0.037901174 0.033805645 0.037388623 0.033918737 0.048513806 0.045446315 0.052166198 0.030602128 0.058912661 0.050831322 0.04003067 0.018432118 0.049937265 0.064389462 0.033898755 0.030873555 0.031122086 0.011427826 0.057763675 0.041016618 0.002830919 0.044012489 0.022706361 0.037544938 0.024511409 0.017361776 0.029969574 0.032111075 0.007452491 0.04458889 0.030379579 0.041578017 0.030071794 0.042612676 0.056503833 0.043514534 0.049842694 0.034219705 0.084666676 0.02393257 0.015646103 0.112877535 0.020711032 0.067735105 0.042227349 0.041513056 0.037654448 0.061287575 0.052357082 0.041305673 0.031978951 0.049843182 0.067317121 0.028562582 0.040963892 0.046050379 0.032978347 0.035530458 0.028315775 0.058466377 0.048166185 0.050265537 0.057617976 0.050355014 0.039877716 0.039103516 0.017467475 0.038674805 0.069892887 0.003240946 0.030953861 0.07536644 0.031367259 0.040279073 0.064498989 0.037043014 0.023626108 0.031271373 0.046977872 0.033958059 0.063303306 0.057593331 0.052575408 0.057195688 0.039272446 0.057291494 0.027852001 0.066601844 0.043556654 0.038471252 0.043337836 0.053758789 0.021880584 0.033767971 0.026081009 0.056765315 0.040417783 0.02623914 0.031360889 0.065341882 0.066807201 0.058002478 0.081944856 0.090477351 0.072353303 0.054408856 0.034275347 0.047339432 0.026494001 0.044603709 0.049296403 0.036296457 0.063747889 0.062807062 0.026144892 0.076653037 0.026571735 0.056951022 0.019422462 0.041273024 0.039832155 0.03850422 0.083681435 0.019816546 0.005724184 0.066278613 0.029225499 0.069461406 0.044476698 0.001335533 0.056799537 0.046709114 0.001491711 0.016461647 Glycerol 0.124344524 0.545847829 0.560322316 0.303505897 0.258613307 0.675672209 0.268510001 0.295875397 0.636675767 0.359298849 0.245953864 1.567745945 4.552772417 0.697380813 0.427926018 0.265223633 0.350184505 0.267948963 0.377419953 0.282290531 0.259825639 0.221405039 0.203886139 0.626960946 1.810940289 0.156400047 0.157864725 0.242851938 0.221327395 0.417056449 0.332046878 0.411398959 0.153078544 0.60584557 0.531507101 0.399684596 0.998398943 0.40429095 0.859243628 0.672725602 0.546295478 0.803101232 0.27634167 0.551268619 0.377262669 0.42558195 3.550007921 0.37179838 0.563714658 0.795002219 1.149407272 0.293112655 0.810812027 0.27961151 0.474930814 0.871071815 0.89979709 0.608793129 0.160265247 0.575316566 1.383625962 0.689316172 0.588757162 0.40914664 0.208253525 0.632563421 0.869120393 0.316724922 0.335603336 0.346462125 0.338930193 0.195491897 0.228815712 0.165986604 0.467849086 0.275585976 0.388602651 0.423402763 0.411117645 0.179709907 0.287344596 0.200925077 0.445819401 2.684753682 0.375985833 0.205443872 0.460341804 0.211335459 0.783954959 0.193329618 0.563257343 0.364124847 0.288947579 0.207056726 0.339546996 0.67897062 0.353160599 0.248235067 0.589948116 0.185942296 0.123435673 0.431886949 0.232409405 0.225937513 2.0795125 0.186231483 0.267606609 0.147900994 1.183798425 1.422507065 0.461104458 0.120878182 0.764039842 0.492023817 0.889485062 0.534561905 0.77217521 0.77031049 0.341776477 0.507820213 0.349735881 2.253305408 0.443205475 0.480294998 0.221027162 0.240628473 0.431004824 1.20924669 0.371133254 0.741545019 0.286123795 0.84017047 1.321196799 0.421613244 0.622569884 0.714081975 0.410351777 0.382616354 0.601709449 0.523470297 0.485319534 0.332664907 0.725002648 0.383223928 0.33742571 0.597496194 0.618072017 1.371826522 0.328140613 0.210559475 0.730021692 0.735710101 0.221520834 0.895112285 0.536825952 0.232460714 0.176270235 0.208215186 0.484945013 0.640609912 0.904829983 0.36133796 0.384316969 0.259136427 2.938668832 0.288463148 0.340708797 0.26390381 0.659006983 0.225671559 0.716552855 0.422403484 0.268697782 0.193783297 0.65712546 0.674000799 1.757397809 0.381263735 0.701723478 0.636011703 0.321933549 0.866926904 1.241630171 0.345378534 0.441190997 0.434398082 0.621490397 0.374310534 0.609874056 0.449606177 0.848788787 0.577188295 0.635578953 1.223655782 0.563739125 0.70141676 0.426815826 1.9414022 0.906652175 0.499911026 0.482286801 0.598921773 0.656209697 0.262440524 0.367871556 0.384527011 0.336754236 0.688439099 0.343501051 0.368689215 0.363572489 0.27083881 0.445998715 0.565820721 L-Lysine 0.848437267 1.129162813 0.537014291 0.593945737 1.546479672 1.104857119 0.902962631 1.164984339 0.768587529 1.421435492 0.887806978 0.757881191 0.874101777 0.979649146 0.59510255 0.709750141 1.602160561 0.743088637 0.970008896 0.608629935 0.959869183 0.791088129 1.290599037 0.878550269 1.735304203 0.686978637 0.926236038 0.945337769 0.522757699 0.607686077 0.791645126 0.879526599 0.36470968 1.447831088 0.867823603 0.551500193 0.57811469 0.872606635 1.726292599 1.163588875 0.354056259 0.467837549 0.854308455 0.646433261 0.881446761 0.697136229 1.248622416 0.743834748 0.926160443 0.891960386 0.864071041 1.195775145 1.088834573 0.66745287 0.878384162 0.574323274 0.708866951 1.341091906 1.206196522 0.620608698 1.106334676 0.959579807 1.072209868 0.614735113 0.666829493 1.541504457 0.494985689 0.697536828 0.733071567 1.019687887 0.622801599 1.249711061 0.908853184 0.7245662 0.935511161 1.063093212 0.971509497 1.134529986 0.719310778 1.120047622 0.847246492 0.592053215 0.555536856 1.053550499 1.31154815 1.198182198 1.480977157 0.612812504 0.628125138 1.710527768 1.529692998 0.710095776 0.670282489 0.578035534 1.101848359 1.492927482 0.6840175 1.113828577 0.29929565 1.181641075 0.1026403 1.071394695 1.119374655 0.848126563 1.287125308 2.184200992 1.071807962 0.843263019 0.929700531 0.590575651 1.261828511 0.87650704 1.177878026 0.751516789 0.959138609 0.922491625 0.826125188 0.847563315 0.957937843 1.230182402 0.733546458 0.624632827 1.418629305 1.791989471 0.359977533 0.590440747 0.315845009 1.008276233 1.163766776 1.214555657 0.709796714 0.762599721 1.315131178 1.443280034 1.20014625 0.686477005 0.570986726 0.70023051 1.453570959 0.669246301 1.009481425 0.987361319 0.486059181 0.661523871 1.02831619 0.542219906 0.992981345 1.461780855 2.230774357 1.369760595 1.111188565 1.554370944 0.743367016 0.96562566 0.728443186 0.787929515 0.678628595 0.474810743 1.057521611 1.43360665 0.938578056 0.590586095 1.716626578 1.177388259 0.529866801 1.357488164 1.564519393 0.916272355 0.692972906 0.896669125 0.854717939 0.61253929 1.143828572 0.704881168 1.438568541 0.776946953 0.617240716 0.981133594 1.435632998 0.639498461 0.616074137 0.732639506 1.122733201 0.833918514 0.843645075 1.035586529 0.24560254 0.444817676 0.652367486 0.504412689 0.780737942 1.320765152 1.262791833 1.689913999 1.376391782 0.577573447 0.928176872 0.872739522 1.152441276 0.885041329 0.500078988 0.949192551 2.041093595 1.893145592 0.875406064 1.445455992 1.616413177 0.790960109 0.322963188 1.606598875 1.032904082 1.356321403 0.999126083 0.868535563 à-Aminoadipic acid 0.01719268 0.009416607 0.024750147 0.041214703 0.010685065 0.023214509 0.018185296 0.013307473 0.009405823 0.051253663 0.047934277 0.030697118 0.006131246 0.011868554 0.007172898 0.009712947 0.04786577 0.102166422 0.005018252 0.050397713 0.044446531 0.066978947 0.006573218 0.085144829 0.08149856 0.012715844 0.069818547 0.111826494 0.058417445 0.026470902 0.050854227 0.026028786 0.037959063 0.176011964 0.064435227 0.005444148 0.006180113 0.054575719 0.014287402 0.038431606 0.096787363 0.04701945 0.022014875 0.030330063 0.051958844 0.057483879 0.004303787 0.018606445 0.007683584 0.05980633 0.044114446 0.003494828 0.015617264 0.012172454 0.037787566 0.043970674 0.217816799 0.015196218 0.060033334 0.107734217 0.16415105 0.024339688 0.010387753 0.019830849 0.00121927 0.104857419 0.218044345 0.037583768 0.036640474 0.019000135 0.105369074 0.019457063 0.019029519 0.033237526 0.003827163 0.049480531 0.016855216 0.014250522 0.005651672 0.139141344 0.01010832 0.025243554 0.003653044 0.097827218 0.022550572 0.035075784 0.043260122 0.078931952 0.040673192 0.009216539 0.005327637 0.074212862 0.066642404 0.10873422 0.02884544 0.054786642 0.025741971 0.065247956 0.040008912 0.022202851 0.012932734 0.011915688 0.073155417 0.029046921 0.057055819 0.09034088 0.107095345 0.068344104 0.01712322 0.055663123 0.07009023 0.041306645 0.009446708 0.007620327 0.022029818 0.030256276 0.027629739 0.11377012 0.021635154 0.08344658 0.017629055 0.175934491 0.021402808 0.028069671 0.02897353 0.081020422 0.115363083 0.022263304 0.015110028 0.007154705 0.155434426 0.048792372 0.06246898 0.014136374 0.004878273 0.026095419 0.11272033 0.050139561 0.058232278 0.016008442 0.011810909 0.072061666 0.019134373 0.009354097 0.035374438 0.091453165 0.015219419 0.142690815 0.067357819 0.124589661 0.134531108 0.009355978 0.154929222 0.134421484 0.069959889 0.003133214 0.057036649 0.029489098 0.07392824 0.043728029 0.040308488 0.00569548 0.017857599 0.045545427 0.067699266 0.038011179 0.014257591 0.005617042 0.024165071 0.02381584 0.007401044 0.023535327 0.014374691 0.1079324 0.02931322 0.018618929 0.020037024 0.033193561 0.069485728 0.022003329 0.034495212 0.056206646 0.262104419 0.005796359 0.009549164 0.007642606 0.00541224 0.004519837 0.035594948 0.00386284 0.084524722 0.036984065 0.004115854 0.026102423 0.09155557 0.041464727 0.004145571 0.06965313 0.094146148 0.084001208 0.079628918 0.013900164 0.039294285 0.013566649 0.005175139 0.014299336 0.055298933 0.08417525 0.015266388 0.000534872 0.015678787 0.068705057 0.000235674 0.01716188 2,2'-Bipyridine 0.091316459 0.106575838 0.082290971 0.095689665 0.109248074 0.088707319 0.106005277 0.116051626 0.110496348 0.151604416 0.117967569 0.133527384 0.116034111 0.123473433 0.127743367 0.08979846 0.110641528 0.126656259 0.089375374 0.102697599 0.108810838 0.105251586 0.073047802 0.126342235 0.09112038 0.11138537 0.12394021 0.14779655 0.109876078 0.112818972 0.079608718 0.137815598 0.12658167 0.151191864 0.100376246 0.137566763 0.120946721 0.104707322 0.081725992 0.120465177 0.036015137 0.113862114 0.098605294 0.090306237 0.113819719 0.126080022 0.088057885 0.131142233 0.110485818 0.111790472 0.114551171 0.061790342 0.096045291 0.096425879 0.094262291 0.09579501 0.14125102 0.117444524 0.110756475 0.127048761 0.168004918 0.117197045 0.10818332 0.104730995 0.071833397 0.131393878 0.128664571 0.108053676 0.083047028 0.12151938 0.084635137 0.10964806 0.079408418 0.093786832 0.082781333 0.073127017 0.132886165 0.077557556 0.10859573 0.080038366 0.107128836 0.080877261 0.112239814 0.094519005 0.111837227 0.118956065 0.115313422 0.118196132 0.134857694 0.09260007 0.131565141 0.038716978 0.104504749 0.131566165 0.100239835 0.131221025 0.097871441 0.076071843 0.145623715 0.0925716 0.026153491 0.092416984 0.097905239 0.099537805 0.089083711 0.080642567 0.10548813 0.096814347 0.076591661 0.101085951 0.094044245 0.102814632 0.132026799 0.09929264 0.109314656 0.101067452 0.103992561 0.113525287 0.126435582 0.101678178 0.09120361 0.169027171 0.11262537 0.119913625 0.107888847 0.117592632 0.121172479 0.139757493 0.145889375 0.118328093 0.12843176 0.124277815 0.157300468 0.092773085 0.125909163 0.100859253 0.10054628 0.041656585 0.084405435 0.120546804 0.101207258 0.112486868 0.103490209 0.109368862 0.118093338 0.104210697 0.116698329 0.102561901 0.12547061 0.06172897 0.105416125 0.144416925 0.121321003 0.112498046 0.109308863 0.087325324 0.065050868 0.068716147 0.122340232 0.09104438 0.119929528 0.102416725 0.092479426 0.117394537 0.115827551 0.114690148 0.082985481 0.116586017 0.098040021 0.088330374 0.118301584 0.110959113 0.086277603 0.120416116 0.09656007 0.110381735 0.113850203 0.078391113 0.099490427 0.116338755 0.131905832 0.111469312 0.12836603 0.149749686 0.127594709 0.124114545 0.107745803 0.108920162 0.10928083 0.13301512 0.118416923 0.112280057 0.147899767 0.156619805 0.103742667 0.145097858 0.10526585 0.126828533 0.104610088 0.115733796 0.114354335 0.116239552 0.119943003 0.089464336 0.098560317 0.130310804 0.112207086 0.118617139 0.124955284 0.068482469 0.116690137 0.138311393 0.06722079 0.105780144 Serine 1.552927472 1.067379693 0.739776441 1.182782071 1.554189788 0.888876012 0.821599147 1.02881037 1.313103056 1.47702884 1.67580851 0.818411667 1.00509908 0.952784449 1.194527318 1.368505702 1.721117056 1.009266953 0.89808312 1.774287218 1.218383944 0.901684324 1.599414691 1.006942029 1.113870107 1.359100789 0.753874609 1.254283696 1.264872863 1.156080778 1.510597979 1.64674637 1.110276955 1.177353489 0.938991861 1.291009125 1.066525907 1.218824388 1.872042116 1.199288259 0.782767339 0.960728987 1.251155851 0.96913365 0.874856521 1.73974719 0.859941888 1.57619329 0.543651139 1.093804028 0.978443887 2.115071835 0.760381002 1.022864501 1.087541524 0.717003508 0.688356487 1.26255786 1.37236732 1.427222156 0.967904844 1.09675309 0.836560365 1.106995962 1.628623822 1.038120158 1.714180099 0.711515554 0.697510094 1.717825766 0.669462211 1.365506018 1.182474513 0.701688667 0.626478554 1.274344894 1.134048603 0.642520953 1.134538109 0.927893907 0.815652172 0.887202088 0.790701347 1.447143506 0.864635959 1.295117063 1.101831383 0.637975378 1.004477717 0.817143499 1.267578518 1.583225124 0.636850004 0.901431488 0.989690691 1.832886628 1.401939375 1.359283376 0.937583626 1.25698113 0.110421425 1.246900986 1.563522503 0.987750029 1.292375527 2.095801519 1.145732376 1.184266104 1.425570917 1.07944603 1.363127542 1.015294185 1.648059236 0.873226735 0.832982134 1.01090805 1.307132808 0.940558771 0.724329003 1.440524754 0.727453104 0.796630771 0.627114181 0.895348752 0.597554076 1.299165898 0.930226791 1.531029166 0.978623467 1.239402229 1.177812187 0.814258626 1.491207509 1.259072233 0.985435793 1.077377937 0.983876956 1.004580224 1.238335818 0.777283664 1.089594707 1.323577752 0.550163645 0.782440617 1.019478029 0.752996804 1.009560443 1.124085108 1.15680936 2.304947781 1.415487739 1.431668111 1.394930656 1.216888664 0.802434135 0.959713563 0.763734991 0.585265357 0.577646346 1.259934325 0.878176238 0.892503262 0.98797388 1.052482369 1.299276766 1.603134534 0.692889871 1.812825616 0.750852306 1.456434626 1.294338039 0.918359984 0.890582918 1.366509694 1.231576913 0.89134772 0.998497613 1.492303965 1.265301392 1.430519417 0.860973803 1.096295733 0.989605976 1.073373289 0.665191061 0.774106955 0.709111542 0.986750242 0.930561692 0.76216526 0.96572796 2.024907975 2.221635321 1.92395852 2.066427269 1.913065146 1.044762476 1.649421628 1.337598091 1.3566536 0.915799006 1.587548801 2.541000259 1.889353113 1.643799259 1.424110492 1.707385914 1.093883046 0.875862872 1.48590161 1.596001162 1.425618934 1.491064068 1.06255723 Inositol 0.018736313 0.022663414 0.011640027 0.009997139 0.011321451 0.022276613 0.006900104 0.007840231 0.011826987 0.007532669 0.011381571 0.006905015 0.013274259 0.010685466 0.019749237 0.006787406 0.007148521 0.012304847 0.020203457 0.021626491 0.006953524 0.010525988 0.004664352 0.009689778 0.007594397 0.007806652 0.014424177 0.037670865 0.031009941 0.008397147 0.01200409 0.011473909 0.019878064 0.015966438 0.007486062 0.018600853 0.004132486 0.0081456 0.009571975 0.009360388 0.002153091 0.547518438 0.003217195 0.006221371 0.015110774 0.013644407 0.003393901 0.013426082 0.021874502 0.007431185 0.01366259 0.004128076 0.006528363 0.003292108 0.014924705 0.011296779 0.005322999 0.008670109 0.002683407 0.002187642 0.005991502 0.009776542 0.005505892 0.006665397 0.004090974 0.00446906 0.005241845 0.005460265 0.003544603 0.002985977 0.007469569 0.019177462 0.013334754 0.012002632 0.004481277 0.017506636 0.016708759 0.004168111 0.012875567 0.023139274 0.029797059 0.007416585 0.00500473 0.012738367 0.005919921 0.022093433 0.024880652 0.011059914 0.01115215 0.012164972 0.006819583 0.009545252 0.005200763 0.004902046 0.006108274 0.014948002 0.032302324 0.014788828 0.043405388 0.007103951 0.001210949 0.006116585 0.029993363 0.013902547 0.009687852 0.022778886 0.008078588 0.022626706 0.008704943 0.018982053 0.016934384 0.016534196 0.007439379 0.009467651 0.031005429 0.014771279 0.012726223 0.028009085 0.006019762 0.056143659 0.005774544 0.016572719 0.007826472 0.011284054 0.005959245 0.013059169 0.011448472 0.015416834 0.010443444 0.013303363 0.046147028 0.008248913 0.012364495 0.030023178 0.006008096 0.007243029 0.009380421 0.008084377 0.013218119 0.010052379 0.050480588 0.011861414 0.029478521 0.008500268 0.015913937 0.010347544 0.009549344 0.018426716 0.011341844 0.028656385 0.042619178 0.009553468 0.017267559 0.04030728 0.028625838 0.003601742 0.014743957 0.005585583 0.007255517 0.013820086 0.009091026 0.008680778 0.016972017 0.01386062 0.013788824 0.015939642 0.019890561 0.037187032 0.013855412 0.009758121 0.009138682 0.009304158 0.026960613 0.004630712 0.006194134 0.006380558 0.003947503 0.00601267 0.005285628 0.004032413 0.009742327 0.007245551 0.014500446 0.011129583 0.004833563 0.00404306 0.002702872 0.003694094 0.005265636 0.002709781 0.012140496 0.009321029 0.003409151 0.007287696 0.009381152 0.004918085 0.00561313 0.008716316 0.005385031 0.002874523 0.003923882 0.006759498 0.008945942 0.016766457 0.004926141 0.008107597 0.010073474 0.003021594 0.009073504 0.00520695 0.004449676 0.037293076 0.007473085 0.003190033 Galactonic acid 0.079083772 0.099213407 0.040784896 0.08356831 0.045860139 0.070955273 0.085684157 0.053540712 0.062834066 0.109577886 0.100200536 0.051275937 0.050063567 0.065286898 0.058492995 0.047585609 0.13422568 0.111358059 0.054521993 0.091086394 0.107536442 0.146677107 0.068223751 0.161585555 0.073958435 0.079422674 0.155928409 0.101071654 0.170910647 0.105598256 0.091049754 0.091486596 0.066300984 0.331204144 0.119253121 0.041182958 0.057164634 0.145368081 0.098562469 0.257130375 0.108514287 0.056709243 0.03571972 0.080772785 0.074607942 0.098967125 0.3426969 0.058643604 0.050562043 0.142227076 0.132648762 0.045692811 0.093385486 0.048407143 0.101337747 0.148422035 0.238035923 0.052754367 0.059761774 0.221159646 0.121451109 0.085251 0.114460077 0.059075722 0.047583781 0.132991134 0.15244625 0.046835799 0.084818812 0.051304036 0.151235841 0.068190771 0.05461893 0.100085068 0.066593443 0.106416381 0.042952789 0.06784315 0.095964773 0.197770516 0.089415612 0.081895502 0.080905157 0.114375339 0.041369544 0.078299722 0.093277798 0.130404104 0.104836405 0.065472522 0.081776965 0.148818751 0.099756957 0.11246175 0.090173792 0.127643884 0.116629034 0.1687902 0.10592452 0.045213562 0.01855196 0.0299505 0.096177593 0.100680849 0.106790272 0.110138034 0.043811756 0.140533095 0.039652961 0.109079544 0.109253488 0.155253012 0.081137804 0.071441557 0.055385432 0.142797651 0.109850065 0.124301295 0.081661008 0.250031765 0.055364168 0.165159587 0.099976695 0.066543503 0.102482512 0.130872222 0.147233807 0.13501368 0.162896288 0.110402219 0.018510755 0.097591944 0.124709233 0.098814339 0.064827968 0.133094268 0.128589299 0.088555259 0.125967315 0.135068742 0.084359105 0.155357634 0.133863047 0.071756794 0.091297165 0.102801591 0.10069139 0.081618229 0.216982982 0.167999753 0.078999278 0.176321302 0.285697939 0.253674411 0.138854413 0.063665711 0.095424343 0.047107835 0.108470261 0.213910679 0.119186152 0.055304158 0.224073987 0.119135953 0.084841194 0.087011047 0.157698179 0.099266965 0.066019718 0.079368738 0.103915324 0.097305024 0.256745423 0.210193225 0.052114019 0.047276967 0.03350009 0.104692121 0.036445002 0.06474941 0.083685154 0.083574049 0.094942048 0.085727101 0.071487372 0.038620815 0.040477765 0.03417328 0.059449657 0.031019417 0.075948824 0.113468226 0.111386661 0.095208759 0.096473135 0.097036768 0.066251087 0.064954123 0.091896577 0.114997482 0.061576999 0.05699483 0.089704121 0.068395861 0.066323882 0.06085598 0.088464156 0.073298239 0.086992227 0.073836009 0.054075858 0.080744551 0.051491491 0.038409003 Proline 6.325419297 10.53353957 5.344654263 10.29458375 9.680599971 12.42981872 10.69457252 7.001831241 4.061803946 7.754747705 6.206326894 6.997851134 3.392232057 5.686900313 3.929249185 4.787584656 10.13983543 5.829017556 6.402442161 6.237098988 5.445029924 4.503101857 6.649838595 5.991663372 6.945563588 7.568510845 4.296197503 7.413080373 6.460968112 4.266690833 8.861020018 12.93706876 9.295066776 6.814388218 5.716296943 4.583919236 5.948510226 6.33591781 9.828080466 9.40114213 3.369986534 8.521943521 4.862343013 4.71136255 6.724575799 10.23593186 5.446100246 10.75829207 7.83656968 6.168688819 5.674948403 8.362030333 6.570667029 4.076998693 7.94594758 3.48639434 5.311429137 6.015773092 6.795099925 9.231457933 9.764101331 4.905138038 6.151739151 8.844954427 6.427632354 13.11363587 4.823818209 3.620279258 2.976992557 6.271973786 4.176275132 9.617836623 7.892621913 4.042388935 6.357838404 11.74235338 7.022732838 4.670168782 5.703677323 3.925982489 5.898930068 4.433294057 3.696875616 7.472496859 3.328341243 8.306056301 6.14942716 7.85623225 7.794470162 13.07907256 8.627282191 9.175994545 6.88774079 4.597802263 4.109621747 6.056587415 5.657364487 9.851074346 6.885622058 4.969150434 0.726338924 6.922983407 13.19015774 4.130644417 8.33366377 9.807458688 4.73762682 8.007428758 9.380326925 8.149966992 5.704779889 4.653135861 6.713460315 4.11171493 5.295423575 3.287101098 4.168816058 5.545415602 4.429948599 6.069201828 6.915298631 11.46904854 5.503973459 10.31752654 3.736172597 7.155061315 8.880768463 4.837277816 10.44463585 5.115839038 6.884428685 5.033271418 7.183416738 12.12148806 10.71420084 6.583117317 4.513339723 4.416294796 9.647600872 5.816449993 5.446311184 7.980770573 9.105884494 6.833322781 4.065722639 4.174583345 11.50961434 7.522696393 7.242572384 10.38499484 6.591749198 7.255792649 6.849881162 5.687935805 6.375544771 6.869265668 9.506602751 1.544838961 6.583486146 6.912976083 10.12322863 9.643666856 8.336167673 5.280149644 7.591742611 6.948275643 8.763474462 4.59594752 3.097542391 8.071267183 7.149581657 4.262412062 9.289771528 4.897010741 11.50657322 4.291473352 12.39372656 7.101879738 12.37286461 2.823051456 3.684737793 5.608862322 7.074637325 4.800915751 6.018211272 5.597991954 3.059733799 4.454774484 4.235279997 4.761844145 3.556920735 7.407645767 8.638014438 8.81394317 7.039912561 7.97695709 8.29687125 7.289230647 9.657793322 5.24525146 3.507081208 6.067665103 19.01086353 6.932539309 7.015411261 6.777924438 8.768698717 4.203154055 7.26499374 10.59424351 8.046460226 10.51692864 10.78170867 6.51626268 4-Deoxypyridoxine 0.033973906 0.060607176 0.033043456 0.057857287 0.072514868 0.030487251 0.061429198 0.063858999 0.051222608 0.08806462 0.075560849 0.068057833 0.044499234 0.041853171 0.059655741 0.044514177 0.055078939 0.038848291 0.049885794 0.060134343 0.060264865 0.041898907 0.014941037 0.076962275 0.067350377 0.065604264 0.042902674 0.096580659 0.061085207 0.074023194 0.023162475 0.09932386 0.078906133 0.045518322 0.085614564 0.070493004 0.075572134 0.034701623 0.00400992 0.057157705 0.043761209 0.044615534 0.039469672 0.03634417 0.052939442 0.083651123 0.004005295 0.083142717 0.07411666 0.042178518 0.054459377 0.002654013 0.069038609 0.027178078 0.031373564 0.03006104 0.05299918 0.098392667 0.041003978 0.081489893 0.100658643 0.093055983 0.075737005 0.068598605 0.001417855 0.118293582 0.058612176 0.069079479 0.034339254 0.052499727 0.021674613 0.069462202 0.048996405 0.059075076 0.022511045 0.008089345 0.071689109 0.005013628 0.065743944 0.038052643 0.047482536 0.043162697 0.047709285 0.043627842 0.061117681 0.054349742 0.065022162 0.040737042 0.075922615 0.065683249 0.049270508 0.025318499 0.058724048 0.079850265 0.043438426 0.041692675 0.037758819 0.014678167 0.073122708 0.050155179 0.003444305 0.056273757 0.027954074 0.049840113 0.030639699 0.021103699 0.039297595 0.041396475 0.008897887 0.057740725 0.038773644 0.054723869 0.03690518 0.051446528 0.0709279 0.052948491 0.064828876 0.044994759 0.106050381 0.030898481 0.020579001 0.140763613 0.025584017 0.081706175 0.054941724 0.054587152 0.048432854 0.075922771 0.065926358 0.051895787 0.04192161 0.061527221 0.081571017 0.034634892 0.052210092 0.05742937 0.039949208 0.045215844 0.036036898 0.07212339 0.058776127 0.068505028 0.073573486 0.061853897 0.049816526 0.049039149 0.024457276 0.049936306 0.087619003 0.004740917 0.040523469 0.092114762 0.040803541 0.053275303 0.082115329 0.048698691 0.030331705 0.039203602 0.05787181 0.046099637 0.078145202 0.075857988 0.065341904 0.070064242 0.047207285 0.073386682 0.037277622 0.082417869 0.057659674 0.049060911 0.053453197 0.066564046 0.029051889 0.045717301 0.03346589 0.069184814 0.052756992 0.032261049 0.03954138 0.079652747 0.081784302 0.070509023 0.107852472 0.113537519 0.092170618 0.070604768 0.043250081 0.05953499 0.033982456 0.060397899 0.066860204 0.052738444 0.084318759 0.079212959 0.03995513 0.101431398 0.035478562 0.066213812 0.028438843 0.05497481 0.05193385 0.049824016 0.107373477 0.026187429 0.008371851 0.083751421 0.035924827 0.093523489 0.063261879 0.002350902 0.071813516 0.061156461 0.001498024 0.021434047 Cadaverine 0.025340495 0.009699072 0.005556659 0.00692686 0.010448877 0.012243228 0.018462803 0.010245139 0.007450046 0.02490867 0.013422762 0.017008398 0.006267259 0.007876147 0.001744991 0.00707474 0.018394445 0.024158993 0.003655019 0.01015649 0.013891051 0.015397663 0.004966631 0.027385162 0.023101994 0.007601993 0.01699009 0.014447623 0.023042734 0.007871072 0.014548316 0.011429656 0.003711549 0.02328575 0.022610754 0.004876849 0.004183322 0.025541796 0.011832311 0.010600862 0.014317315 0.004760206 0.013190998 0.010127063 0.014996397 0.019318643 0.001519 0.00770231 0.013264978 0.017130549 0.007907189 0.000811356 0.006546206 0.010519472 0.014099945 0.016240446 0.019922727 0.01446533 0.019832357 0.035341434 0.017275927 0.0085111 0.009110616 0.009619077 0.000797064 0.021673369 0.022228255 0.005756726 0.018486034 0.005730474 0.031910081 0.019892393 0.012196325 0.01000997 0.008238515 0.014545888 0.006501458 0.004972014 0.002857042 0.024352561 0.011615813 0.007127413 0.004668352 0.043458415 0.008994846 0.014514774 0.017149802 0.013928881 0.010803369 0.010956546 0.010060315 0.014133279 0.010582258 0.013940641 0.019034558 0.017676476 0.011485041 0.025345122 0.00420042 0.009275884 0.004281004 0.032101151 0.025160947 0.014685855 0.012218369 0.03762701 0.019040642 0.022666365 0.014919896 0.040561008 0.028253967 0.026734315 0.006867737 0.007698669 0.011100586 0.025836922 0.014778125 0.03406895 0.009132832 0.0347031 0.012069652 0.006462756 0.010642271 0.01581709 0.012252286 0.024632207 0.011380145 0.01121662 0.020603784 0.016633795 0.029149272 0.019755524 0.041762286 0.013910161 0.008490993 0.056149442 0.013248634 0.011684288 0.028143789 0.021520068 0.012569811 0.019895401 0.010722563 0.009022683 0.016979682 0.021176728 0.011003772 0.01825818 0.02210479 0.023240495 0.038801686 0.016300589 0.033061973 0.026364004 0.023766705 0.007716252 0.020390702 0.011375424 0.036656746 0.030731507 0.032226949 0.006183183 0.017032544 0.030134411 0.010554896 0.029259615 0.019184778 0.013750202 0.017634655 0.012714381 0.010837024 0.01471832 0.009455008 0.021973548 0.015061618 0.017020035 0.011686243 0.017429526 0.022253135 0.008192843 0.012488037 0.021921974 0.040966119 0.009692409 0.007711681 0.005069595 0.000891038 0.002821801 0.010186537 0.002242947 0.012607897 0.011806039 0.004764247 0.018919374 0.019402581 0.00387956 0.003972284 0.019270304 0.016986176 0.026174381 0.016014756 0.007622401 0.022179635 0.009750509 0.001738058 0.012954086 0.017930702 0.021004408 0.004052983 0.001242241 0.007498238 0.0189703 0.000539578 0.003938522 Erythrose 0.008086168 0.00781346 0.008527124 0.008960428 0.009849855 0.011556045 0.011351097 0.007830907 0.008138565 0.010779103 0.009012594 0.007920585 0.009862735 0.014204077 0.013652216 0.008499629 0.01120004 0.008631695 0.009831868 0.009347768 0.008978433 0.009391862 0.012047567 0.010973973 0.011171292 0.008988999 0.006077861 0.009657984 0.01131172 0.008031946 0.009876652 0.014062289 0.008129816 0.010348456 0.008890356 0.010614649 0.008777501 0.007532354 0.00955733 0.01158525 0.017017177 0.010557925 0.009368434 0.005088396 0.008582906 0.009403646 0.008474487 0.010016421 0.009465855 0.006507976 0.008569677 0.016289953 0.013001161 0.005517152 0.007791167 0.005609457 0.012540852 0.009196961 0.006623303 0.008683272 0.013445367 0.009705364 0.007078703 0.011007033 0.007363082 0.01168519 0.011840686 0.008896964 0.005675585 0.009524011 0.009369985 0.006501106 0.007241031 0.005558041 0.008525305 0.008498076 0.010422675 0.012775469 0.009346248 0.007471858 0.008785313 0.00709159 0.010192718 0.007602753 0.00953984 0.007506754 0.010936129 0.01046749 0.010818702 0.01372727 0.011444146 0.015864743 0.010896233 0.008619143 0.009106936 0.010800095 0.007700288 0.006308427 0.012150341 0.010123171 0.001382604 0.008223986 0.00709694 0.010042612 0.01032877 0.008045745 0.010526568 0.007220784 0.007097606 0.01018526 0.010140174 0.011340773 0.008047958 0.008191841 0.009064402 0.007618554 0.009850779 0.005699789 0.010976017 0.00739337 0.007775671 0.016278873 0.011783137 0.009502113 0.008880147 0.008087636 0.009785728 0.012383426 0.0111937 0.007303608 0.009187374 0.009901913 0.014622178 0.008938349 0.011851732 0.015699653 0.008734216 0.013701038 0.01188098 0.009757216 0.006362613 0.007781208 0.010540114 0.010207628 0.007242239 0.007529903 0.007131227 0.013114216 0.016347532 0.009564117 0.010338128 0.019734936 0.006890877 0.010701474 0.011730481 0.008009715 0.00577094 0.003950742 0.007140445 0.0089539 0.010599291 0.007962197 0.012982004 0.008007982 0.0095573 0.008242387 0.010407733 0.012350715 0.007404703 0.009676232 0.010765076 0.005916714 0.012069912 0.010279207 0.009373361 0.007220537 0.008395814 0.004032459 0.008815097 0.009046562 0.007414299 0.006943859 0.010849259 0.009049736 0.011313207 0.010900822 0.009437383 0.00898038 0.007319334 0.010102826 0.00947911 0.00724871 0.012132495 0.010393152 0.009237359 0.012061611 0.00720906 0.007301826 0.014043855 0.006876221 0.006796587 0.010060782 0.007554841 0.010242694 0.007854329 0.009766841 0.007655098 0.008888719 0.007514807 0.006989312 0.00829376 0.008603145 0.01127457 0.010650867 Glyceraldehyde 0.007854074 0.018177063 0.005568288 0.007121683 0.00666445 0.01135439 0.011547584 0.012155638 0.013463943 0.019505186 0.011692316 0.007331579 0.011450085 0.018879991 0.00943844 0.008804538 0.017361996 0.010713917 0.006057208 0.0072068 0.008496745 0.012173197 0.019895254 0.012918605 0.011646208 0.010734506 0.025929839 0.011763863 0.011161903 0.005741493 0.009709748 0.009586794 0.006595973 0.011347614 0.011085498 0.017250573 0.012504988 0.011345542 0.016922817 0.011777129 0.01802531 0.00744237 0.010912873 0.01310778 0.008671359 0.008665705 0.007304928 0.012723948 0.01848603 0.030717104 0.008993582 0.018131758 0.006438807 0.003518568 0.007876394 0.012355075 0.018053324 0.010349358 0.008588343 0.008742638 0.011484839 0.010105394 0.01186668 0.011073332 0.009871389 0.008837259 0.00866842 0.011659162 0.017957776 0.011746641 0.007448177 0.012021682 0.00457704 0.009334504 0.007427384 0.005793145 0.016832128 0.014783167 0.009828677 0.005920146 0.006029784 0.006072552 0.019855112 0.009447484 0.009577097 0.006890178 0.008437391 0.008842907 0.010293507 0.010356484 0.01127185 0.020191983 0.011349023 0.009484999 0.008427772 0.019546746 0.012168606 0.003970777 0.015821462 0.010611231 0.002729923 0.007426893 0.007411424 0.012788693 0.00546242 0.006829626 0.012400022 0.008279732 0.009769915 0.012357182 0.007345177 0.008158199 0.010591087 0.011618579 0.008931506 0.008799563 0.005294263 0.015472398 0.007951658 0.010725898 0.026463261 0.013613665 0.020809998 0.007878086 0.013486759 0.016100013 0.015595421 0.016959031 0.018073844 0.012337659 0.016430676 0.016662686 0.027612564 0.010105266 0.017602285 0.008744206 0.010811524 0.016176143 0.01645283 0.013548609 0.005259422 0.010015776 0.010642587 0.011054557 0.017860124 0.011167205 0.027754302 0.015116212 0.008171071 0.008876075 0.008463644 0.014283679 0.020802387 0.024498095 0.013593991 0.00819845 0.005618359 0.008117625 0.01708142 0.012710493 0.01177068 0.010392227 0.007701216 0.008627864 0.007873623 0.00862187 0.005825453 0.009295096 0.009390246 0.00783279 0.024236297 0.00727807 0.005971038 0.013029929 0.011098042 0.007086135 0.01020655 0.009592816 0.018905174 0.009094815 0.012382846 0.005955479 0.013434488 0.017003074 0.013473031 0.003073318 0.008904998 0.008120408 0.009745798 0.013327217 0.011374928 0.013430447 0.012248747 0.002671181 0.027933494 0.010926344 0.003811378 0.018207581 0.0202745 0.005374373 0.013170383 0.010698179 0.012429425 0.009590027 0.010800104 0.014126213 0.008604231 0.010923143 0.015086008 0.004022689 0.008470839 0.009236234 0.008759901 0.012858209 Alloisoleucine 1.213756655 1.517755891 1.093374592 2.289064984 2.162034616 0.954390682 1.971079236 2.54921166 0.997455287 1.553872439 1.701886769 1.758981498 1.38402323 1.60278927 1.318541279 1.444456547 2.09187611 1.08562064 1.4000296 2.138391573 1.64749302 1.352964593 2.030572925 1.357527057 2.44176753 1.095377005 1.025362081 1.637977781 0.805666071 1.247767302 1.885903388 1.898938682 1.635970201 1.780907036 1.220279829 0.762085983 0.860629447 1.030351445 1.904855875 2.508196089 1.256767577 3.18475283 1.217926178 1.102543654 1.098403405 0.818058935 1.486050417 0.750934039 1.635197781 1.426755599 1.074483469 1.563091306 1.626685504 0.990396614 1.42389938 1.57526111 1.402218703 2.184970566 2.204800341 2.096519913 2.016713413 1.505558766 1.07381906 2.279316782 1.28867306 2.614878091 1.639743442 0.989499458 0.856777693 1.622860383 1.195553163 1.62854553 2.761908639 0.917428926 1.472071609 2.659729243 1.401055483 1.457588338 1.344967498 1.366360685 1.336435962 0.987963279 1.050652093 2.31177552 1.446731537 1.841059435 1.838559049 2.130307959 1.642522222 2.773620544 1.699472291 2.810222287 1.611730037 1.120958622 1.305939382 1.350571467 1.039870866 1.178403268 0.711655473 1.398978797 0.182098402 1.40734451 1.832092639 1.117760031 1.652357371 3.756057319 1.467671311 1.272294332 1.184002324 1.274329208 2.204070923 1.194008425 1.029005804 0.870022056 2.044289475 0.843794744 1.054519457 1.576085607 0.934272482 0.940879757 1.648125202 2.394992159 2.144689693 3.290041376 0.797209889 1.384333938 0.855078507 1.468815724 1.658606405 1.13111783 1.727607484 1.320914754 2.157701526 0.967085983 1.359493354 1.494789529 1.056242677 1.483483785 1.575073556 1.514535032 1.699426567 1.697510561 0.663002609 1.179168858 1.562476501 1.032848544 1.673052233 3.291550055 1.405055913 2.089685753 2.678855551 2.061452738 0.951365472 1.65316259 1.380122734 1.286205755 1.923314019 0.521941356 1.22082621 2.123184422 1.274372031 2.641273993 1.389915252 1.08574617 1.534532449 2.668350607 1.208684035 0.946735764 0.778755271 1.417962914 1.23725574 0.866651766 1.639189775 0.819033727 1.882535889 1.385522626 0.817965135 2.279899385 1.991732367 0.9786098 0.897507289 1.716532535 1.588158357 1.01543998 1.755475104 1.846539075 1.117458357 1.135570963 0.932945553 0.907291242 1.116838332 1.887192201 1.70799246 1.870048578 1.848406797 1.73186692 1.572444592 1.850640285 1.889736404 1.220014072 0.804220938 1.433293985 3.081624978 2.32074208 1.258194847 1.419273784 2.704576725 1.138528855 0.961605805 2.447243562 1.971378532 1.317098028 1.791743434 1.97344894 Myo-Inositol 0.295531709 0.325816553 0.209314352 0.285493318 0.27056746 0.369165353 0.239087398 0.267406956 0.276110898 0.323307282 0.243700773 0.253894051 0.385588365 0.218280847 0.360555864 0.218224149 0.302510321 0.241791151 0.233173268 0.290545265 0.238114113 0.289960065 0.219765122 0.326336303 0.234617783 0.262104199 0.217332007 0.408679221 0.476490784 0.233699699 0.255780616 0.513620138 0.356611372 0.749117187 0.286239445 0.239087457 0.166432163 0.438174118 0.480999665 0.28265013 0.204768694 0.192403304 0.189259397 0.223401215 0.283649449 0.361701282 0.263417211 0.323553383 0.520482092 0.286839255 0.446325029 0.331543633 0.32667997 0.159040664 0.416399652 0.336772058 0.356822399 0.363988308 0.238824536 0.155166553 0.431869292 0.25254082 0.24295612 0.239793598 0.182000805 0.272261329 0.412486644 0.22157806 0.204035797 0.198829447 0.239169305 0.381433418 0.262608523 0.309325157 0.20882602 0.291938018 0.371424448 0.253580641 0.347133295 0.355019654 0.442500782 0.262196202 0.231832983 0.340561887 0.215401343 0.309675409 0.289185206 0.340839735 0.424852321 0.238666971 0.312251337 0.275567842 0.240508457 0.1837307 0.247464024 0.24032609 0.394078408 0.429140926 0.444494481 0.176636726 0.05804696 0.26135096 0.410317607 0.311124957 0.254188421 0.350512109 0.235091677 0.386449812 0.233742056 0.215721795 0.377680938 0.333540721 0.299958362 0.311603355 0.463981596 0.267460368 0.310314611 0.298761272 0.333303294 0.449293711 0.186262341 0.495450943 0.431978841 0.301621802 0.211773553 0.293515704 0.362494784 0.438471127 0.371041988 0.579039998 0.501442161 0.360912128 0.532228929 0.489787695 0.252817299 0.31850159 0.313320272 0.196579735 0.413417902 0.312389316 0.398483147 0.384162638 0.409406974 0.326091349 0.32878144 0.247552803 0.460847116 0.306843922 0.344967892 0.414462985 0.378528726 0.356562237 0.456011383 0.502693913 0.28223972 0.264401396 0.271754815 0.129959644 0.311609434 0.431263621 0.265230966 0.549689731 0.461377587 0.385136419 0.254192372 0.526612559 0.554382175 0.588426476 0.290193833 0.328610991 0.356327043 0.468694663 0.971981444 0.228809141 0.283895912 0.190607772 0.334000929 0.282656815 0.279128755 0.159946292 0.296964807 0.23409244 0.388360763 0.32256368 0.253216191 0.245129569 0.131424216 0.113221424 0.155851137 0.350049067 0.329334916 0.926723326 0.318772966 0.329105938 0.389565843 0.315202592 0.258508471 0.471023216 0.299000654 0.218483265 0.180025208 0.257083637 0.408241088 0.322025404 0.240761047 0.228771156 0.280668723 0.259256791 0.326635212 0.279298195 0.227536803 0.242765577 0.411024009 0.218344848 Nicotine 0.009033499 0.01112451 0.00589347 0.007846759 0.00894869 0.008943226 0.009542774 0.010017565 0.009530505 0.012089036 0.010676872 0.008127092 0.009211211 0.011756605 0.010700572 0.008840075 0.009447683 0.010668597 0.008563431 0.009741227 0.007585045 0.009210481 0.008762015 0.009177891 0.008932615 0.007464455 0.009111254 0.008506247 0.007741409 0.008427274 0.008743596 0.011780512 0.009046449 0.008318117 0.008960995 0.010289432 0.011507412 0.006912244 0.008300646 0.006773776 0.016157238 0.007946053 0.008257191 0.010324488 0.008749036 0.007057514 0.005805489 0.012536463 0.009609441 0.011342655 0.007410244 0.012688215 0.00808163 0.004988069 0.009907973 0.008291346 0.011160985 0.008859994 0.007890434 0.010893978 0.008395914 0.00969589 0.007580492 0.008916777 0.00743559 0.009940191 0.007775019 0.008487142 0.006585602 0.008443684 0.008460356 0.011146452 0.006625297 0.010923777 0.007726398 0.005639049 0.012414799 0.007994007 0.009951812 0.006753427 0.00883115 0.006850096 0.010529957 0.008968628 0.008572215 0.009809422 0.007758616 0.007133011 0.011026897 0.008457719 0.008595853 0.020189792 0.006868027 0.007810844 0.007641795 0.010502047 0.008345635 0.004543366 0.010975248 0.007514521 0.002274444 0.004745363 0.007225418 0.007657888 0.005409175 0.006087954 0.007696401 0.007962024 0.006432138 0.009850215 0.00818511 0.007754725 0.006263158 0.008535054 0.007069274 0.006014345 0.007490344 0.008932179 0.006997032 0.007304309 0.008808017 0.009878775 0.009078592 0.009748001 0.01026194 0.00931695 0.009251659 0.011161291 0.012637174 0.007482847 0.006293576 0.010235157 0.012600546 0.007214753 0.0125533 0.007314647 0.006987127 0.010043691 0.007875836 0.009792355 0.006599551 0.008743085 0.006577277 0.01052176 0.008714767 0.007850074 0.0095486 0.006887142 0.008478972 0.005277341 0.007890992 0.010521848 0.008041695 0.015209208 0.010712631 0.007684212 0.005711325 0.00493046 0.008670255 0.008810699 0.00865546 0.008198929 0.007860932 0.008356792 0.008346187 0.008130623 0.006326702 0.011648418 0.007627471 0.007460115 0.011495547 0.008129553 0.005961219 0.013096861 0.00875801 0.007918993 0.011165977 0.006430796 0.009718159 0.008177717 0.009450281 0.007054333 0.008321018 0.01310122 0.009784431 0.00265381 0.010722861 0.008686566 0.007155902 0.011377505 0.009022565 0.008475017 0.009134793 0.003210026 0.012296097 0.011478021 0.00216619 0.006221961 0.011140235 0.005383537 0.00750773 0.009981805 0.006811216 0.009294484 0.008795807 0.011674825 0.00822734 0.010062194 0.011069016 0.003299412 0.009212408 0.010038097 0.006716476 0.009490798 2-Piperidinecarboxylic acid 0.06480246 0.041959678 0.118012124 0.06843534 0.060141712 0.04513504 0.116437194 0.036620667 0.032874885 0.161002686 0.025225081 0.209142192 0.048477157 0.062180088 0.06391273 0.167126569 0.432938604 0.093711822 0.029274677 0.035180571 0.02697934 0.110195375 0.078020258 0.043591251 0.176880354 0.0229003 0.066648935 0.250819151 0.150994769 0.0243116 0.029354754 0.04447212 0.042782532 0.105029096 0.034818107 0.051583377 0.016336595 0.058363268 0.049729003 0.033565473 0.053444102 0.052768955 0.077474673 0.073182713 0.032407464 0.207348536 0.072006161 0.205669579 0.057203979 0.094289661 0.030808375 0.062077518 0.05084226 0.059318144 0.082859299 0.013781454 0.048186934 0.051476729 0.04253529 0.247581532 0.531048547 0.068076817 0.026012508 0.022640283 0.024737491 0.037736494 1.082606732 0.035483022 0.023051769 0.062405894 0.090307988 0.025044891 0.183254539 0.03684074 0.151676342 0.316356917 0.081030661 0.079574563 0.023934843 0.163536262 0.349215824 0.213680559 0.016479011 0.445407401 0.027866037 0.058097083 0.318555632 0.13306539 0.022969299 0.05036773 0.050640081 0.055011859 0.052713241 0.028985212 0.038418125 0.036672469 0.101461484 0.480828054 0.258862194 0.039074717 0.004070121 0.052887748 0.070697759 0.031062384 0.057319081 0.042323897 0.091435414 0.061123842 1.100209979 0.032119888 0.034191636 0.036593329 0.203211983 0.186638974 0.031224758 0.026129549 0.031246154 0.049263036 0.025981822 0.065957322 0.076075919 0.076303327 0.057825697 0.066645106 0.115505687 0.04316383 0.030347639 0.03227108 0.040656087 0.176011722 0.039909682 0.025935642 0.058279731 0.060551457 0.043990931 0.194451063 0.037434155 0.037642794 0.045380055 1.11872321 0.037085907 0.307678046 0.037225256 0.023974643 0.035783096 0.026054216 0.028444179 0.078976919 0.155934458 0.041638748 0.041889124 0.080660263 0.043061403 0.072949467 0.052045587 0.028144055 0.078334226 0.027261975 0.062320769 0.090404821 0.131833545 0.074300521 0.766742367 0.044372456 0.074290419 0.047572274 0.049907978 0.097416827 0.034490444 0.055432478 0.082546904 0.123218309 0.056687498 0.023451286 0.065498911 0.14181159 0.034597992 0.014328728 0.069197788 0.019226643 0.114810425 0.186271641 0.03384366 0.134193136 0.024956834 0.03428076 0.042563733 0.020828398 0.015663213 0.039631592 0.072821514 0.03981556 0.033972419 0.030589542 0.040763233 0.034167853 0.017427176 0.024854019 0.069992894 0.037988171 0.021596837 0.192730392 0.058815363 0.057152428 0.032095521 0.043789087 0.057057196 0.036251705 0.02913379 0.028940521 0.033907105 0.040481016 0.073172713 0.03321373 Myristic acid 0.042980897 0.018852775 0.20543607 0.029268309 0.086521747 0.323843121 0.052774108 0.032356926 0.145249397 0.067080225 0.037481709 0.359598744 0.823237638 0.103382143 0.101510333 0.052205424 0.06344177 0.024971453 0.052699752 0.020034378 0.032727694 0.055773349 0.054834138 0.121963881 0.718526628 0.033090478 0.035969163 0.023666273 0.048714707 0.116163383 0.045452626 0.064248998 0.018573773 0.169023726 0.10071698 0.144279757 0.153646227 0.096213789 0.314568823 0.1080475 0.079002296 0.110105526 0.049788027 0.089859458 0.125206288 0.078632177 0.952557012 0.062578079 0.180482368 0.111885463 0.182663891 0.114595866 0.112488665 0.054479546 0.122664494 0.16951441 0.130687706 0.122037336 0.041105071 0.111305023 0.295947237 0.121084783 0.090123231 0.060356077 0.053437373 0.068450579 0.07482094 0.081870037 0.206389303 0.086675571 0.068327099 0.029605307 0.03361413 0.031675329 0.119590619 0.035844348 0.105542532 0.080647725 0.043854784 0.060569369 0.066725443 0.041683881 0.076674541 0.550701258 0.078488521 0.075246426 0.138474621 0.026510819 0.104225299 0.033631027 0.127564747 0.031426009 0.03622049 0.059054322 0.09165873 0.13376487 0.087267722 0.031481582 0.095017722 0.100954382 0.028852715 0.16291642 0.07025849 0.068266069 0.481634708 0.017658269 0.071982632 0.027029869 0.274884275 0.180657504 0.06313927 0.025739015 0.19844369 0.083567747 0.184897719 0.120441872 0.163499407 0.18369861 0.06584064 0.083858381 0.083917439 0.411644569 0.126358032 0.08464819 0.033875296 0.055382654 0.0861432 0.261254814 0.063982354 0.169162617 0.045771891 0.214380417 0.192829247 0.109810637 0.097658083 0.133486374 0.072256825 0.064173497 0.054359121 0.145618753 0.11985621 0.023439769 0.189048941 0.060723718 0.114234178 0.138997856 0.056016434 0.182265155 0.056663313 0.02859517 0.179965828 0.160706687 0.036123766 0.175356538 0.09286269 0.030115768 0.023765506 0.054292617 0.193944586 0.157291958 0.368097815 0.096502473 0.100167611 0.045955439 1.638083865 0.060635463 0.125048287 0.039624337 0.220725953 0.042873195 0.098030763 0.173470178 0.087131884 0.037722904 0.236755972 0.228313572 0.272653082 0.143253868 0.256325759 0.148123525 0.088175478 0.28622169 0.275294713 0.088114419 0.106898198 0.088321986 0.136713481 0.074051349 0.154097054 0.112686923 0.153239027 0.321322378 0.22516316 0.303747818 0.301918117 0.229929061 0.150281956 0.267425545 0.081886307 0.118322772 0.113833781 0.162734132 0.106775746 0.038501527 0.040174125 0.087539928 0.037736811 0.104041416 0.041639108 0.06535875 0.117211753 0.050084625 0.094558708 0.184524354 Heneicosanoic acid 0.014065733 0.016195738 0.017724782 0.016114185 0.014385121 0.015192637 0.015574735 0.014667304 0.019299582 0.025021237 0.016672906 0.012515807 0.017178057 0.020293033 0.019573136 0.014759097 0.015474262 0.01684474 0.017828896 0.013593491 0.016701026 0.019322056 0.015135287 0.008234231 0.015973571 0.01568419 0.015560831 0.015246415 0.015720664 0.01758376 0.017260142 0.022970706 0.015818557 0.025680675 0.018151719 0.018219298 0.017485465 0.018072672 0.024978765 0.018786876 0.016238026 0.016629572 0.013212522 0.010328676 0.016680547 0.01467551 0.017952053 0.014314245 0.015815547 0.017477186 0.022770085 0.015903653 0.014178715 0.015390196 0.014074861 0.017008587 0.019693901 0.016991146 0.018669183 0.018016664 0.019795961 0.018637129 0.015523811 0.019815012 0.016754384 0.016233587 0.02325036 0.015538781 0.012989712 0.018272027 0.013661123 0.020250318 0.014009924 0.01854926 0.016924593 0.018495172 0.017760102 0.009838665 0.015617983 0.016428738 0.015350941 0.014853688 0.018253875 0.017426607 0.01463979 0.015317004 0.014253755 0.024213306 0.019344409 0.016401502 0.017332326 0.016470816 0.010380944 0.015504072 0.014009958 0.021008598 0.017188351 0.013068114 0.019162984 0.013437708 0.001804769 0.015226539 0.016074557 0.018779341 0.01716927 0.016129451 0.01564353 0.014529845 0.008787954 0.017062989 0.015155447 0.018701241 0.020377152 0.014384292 0.016264657 0.01734339 0.019478329 0.01796347 0.016683542 0.01885356 0.013863035 0.020379655 0.016914588 0.018529375 0.020838435 0.009924559 0.018527526 0.023963697 0.018137618 0.018946522 0.019177304 0.013235805 0.021786318 0.013378014 0.016306313 0.01942791 0.015088413 0.014678695 0.018140495 0.017406344 0.019983062 0.018659897 0.016287821 0.01338063 0.013536682 0.01772704 0.015114539 0.015101505 0.017327989 0.01844661 0.01917782 0.023269746 0.017883699 0.024750808 0.022660914 0.019819803 0.010729183 0.007798846 0.01877601 0.017195886 0.021837851 0.017265596 0.018652537 0.016484054 0.019527962 0.013811478 0.017332779 0.019043443 0.019081496 0.01683087 0.017566762 0.015327089 0.015304399 0.027752153 0.010507734 0.013124935 0.017457836 0.011098343 0.016597387 0.016119052 0.014906035 0.015703926 0.013754714 0.020157733 0.012358786 0.018303189 0.01126144 0.015479245 0.011098572 0.015564339 0.01671483 0.016032248 0.020467591 0.020020275 0.018409008 0.021170416 0.016540824 0.024109122 0.018665766 0.019001288 0.015387144 0.019831651 0.014468494 0.016870582 0.017420007 0.019219099 0.015123828 0.015788413 0.020782709 0.019694727 0.017736594 0.01894825 0.017648602 0.023547074 sarcosine 0.086834845 0.097115435 0.108777805 0.116751209 0.075523353 0.089481381 0.085616369 0.090338934 0.118080273 0.124682539 0.096208636 0.051419978 0.180879894 0.123951241 0.061278193 0.087272649 0.143772853 0.090460419 0.121244419 0.059397346 0.08973053 0.072714188 0.101459967 0.100696571 0.064889033 0.084964967 0.246116754 0.052915645 0.07686198 0.096302295 0.165936293 0.181039358 0.064663016 0.1346242 0.073131313 0.029641998 0.040871677 0.277024802 0.414197058 0.05866513 0.04320732 0.048971854 0.087331947 0.067453286 0.021965343 0.080301651 0.081191417 0.078486185 0.048340232 0.290193475 0.048168076 0.036004896 0.107113124 0.065023854 0.253597562 0.154085155 0.098101547 0.048741839 0.03472061 0.036264217 0.03476019 0.041851986 0.013787137 0.041551987 0.03866646 0.068246654 0.018577218 0.020305148 0.170524613 0.319945111 0.050566316 0.101506515 0.123713796 0.074633414 0.13701806 0.09924402 0.087409867 0.070090363 0.093596637 0.206004647 0.082350142 0.122046981 0.09752373 0.147030748 0.193640011 0.096562935 0.067021236 0.13413773 0.069202205 0.095644778 0.109655156 0.153554936 0.061773782 0.058822494 0.112595877 0.155328649 0.112843045 0.05457719 0.081219995 0.146103468 0.022532211 0.079096182 0.09976371 0.090341462 0.102354857 0.155143671 0.173493345 0.087277467 0.127459036 0.173949654 0.077973312 0.111721954 0.142609521 0.139000018 0.085833644 0.088018488 0.156552736 0.155053127 0.054136502 0.136575129 0.451813697 0.05477741 0.209048696 0.153157662 0.174272094 0.143895452 0.093834256 0.346473029 0.120621636 0.13174437 0.28321749 0.139375728 0.233671028 0.057900005 0.091850761 0.069996207 0.17356273 0.075495625 0.129548843 0.176826081 0.199192561 0.082323767 0.075811888 0.097270174 0.142856271 0.181764001 0.465154233 0.385747269 0.059497509 0.197713728 0.088995688 0.108311337 0.323408264 0.265951283 0.231402501 0.074627625 0.075941005 0.054098248 0.113596351 0.187485688 0.119614474 0.1990342 0.125680848 0.198677035 0.135566759 0.158416424 0.113292306 0.150631599 0.103524764 0.276806234 0.222388178 0.116695107 0.100601973 0.148689511 0.173872085 0.064728108 0.035516156 0.168393072 0.187529638 0.051952564 0.058261245 0.090473912 0.007619412 0.076389367 0.039025835 0.03770492 0.030354322 0.022119254 0.01996904 0.024450173 0.031923747 0.288224071 0.04956174 0.030203715 0.124123905 0.091423535 0.072965781 0.087056131 0.043070474 0.022772154 0.015668999 0.014741272 0.032156985 0.040481423 0.051468952 0.028940136 0.149034797 0.031395467 0.07942443 0.081715497 0.029438468 0.033160296 0.06537834 0.044380358 N-formyl-glycine 0.002758233 0.00484055 0.006265786 0.009762713 0.003660114 0.011852157 0.006042312 0.002533148 0.00165694 0.014230309 0.007846341 0.006066422 0.024674561 0.002623716 0.002925693 0.002062878 0.01033515 0.016798176 0.027996841 0.007369049 0.01366169 0.007967907 0.001901225 0.014797926 0.006236815 0.005145884 0.016989265 0.036822298 0.041249112 0.005908667 0.006282549 0.007569864 0.026134746 0.028660359 0.011843542 0.002662212 0.001740701 0.020761575 0.005892476 0.015965814 0.009274188 0.009059618 0.003280468 0.004714699 0.018335646 0.032030072 0.008818489 0.004750113 0.003320626 0.01362952 0.011391527 0.00120716 0.002894028 0.003970174 0.007409535 0.01464308 0.029851533 0.004283547 0.008785806 0.030782669 0.037019728 0.006788041 0.005098319 0.003369401 0.021276196 0.024059162 0.048763631 0.011891811 0.011091954 0.006083251 0.018568773 0.005248189 0.003258902 0.007131969 0.00164857 0.013069661 0.003817187 0.002030787 0.019588793 0.029936118 0.00298464 0.003797196 0.019880299 0.021286274 0.003810343 0.004855259 0.010882608 0.021529369 0.006381193 0.002895671 0.00330284 0.003723473 0.009444773 0.016946889 0.005823677 0.016697762 0.004821336 0.053601954 0.014127688 0.004316772 0.004033317 0.005296313 0.01887194 0.011602478 0.018327416 0.013466696 0.010305296 0.012473328 0.003500293 0.013422499 0.011644899 0.013926431 0.008485348 0.001689504 0.004475242 0.009866937 0.010028778 0.016860604 0.006194925 0.032848414 0.00443682 0.044160899 0.002294819 0.003968777 0.002617135 0.013378523 0.026960771 0.004215369 0.004901112 0.002239119 0.039530415 0.011093504 0.007083854 0.006229463 0.001945452 0.004330383 0.019166319 0.006367931 0.012466535 0.006707484 0.003021145 0.015449245 0.012402188 0.002087413 0.004287192 0.018399398 0.002776396 0.017473614 0.01621252 0.038812498 0.016175426 0.001674811 0.04240612 0.017014952 0.011848396 0.021200528 0.006284094 0.003647143 0.017287479 0.006009733 0.017240268 0.002089394 0.004995724 0.012023499 0.01430348 0.005262071 0.007976991 0.002405548 0.004859348 0.006061705 0.002598472 0.006045976 0.002654055 0.02873972 0.006562502 0.004334825 0.009526444 0.004068203 0.015416568 0.00417309 0.01300779 0.009023307 0.072085797 0.024065496 0.00281798 0.027557222 0.001721012 0.000691729 0.010561602 0.026126945 0.009744522 0.008853809 0.004067855 0.027919371 0.013724064 0.011214988 0.016141528 0.031556608 0.014537204 0.024008399 0.011145227 0.001714408 0.022903062 0.002862177 0.001413542 0.004721409 0.008386065 0.015901093 0.004667099 0.001917104 0.003552068 0.013526779 0.031025001 0.004469041 9,12-Octadecadienoic acid (Z,Z)- 0.015682937 0.013006619 0.065055939 0.019075998 0.01451413 0.038097057 0.022986371 0.009211117 0.084675451 0.017206735 0.01123643 0.169313902 0.4436676 0.039707339 0.051132165 0.029196859 0.014343996 0.012105803 0.019770747 0.007918126 0.008154623 0.012167394 0.0119618 0.036595604 0.11709632 0.013194606 0.013523965 0.011833118 0.01621755 0.037312492 0.02109316 0.029752182 0.013379555 0.086719019 0.026058279 0.038412126 0.054768854 0.028794688 0.108150719 0.060929932 0.051066148 0.060931659 0.021548536 0.029304825 0.03661139 0.029111406 0.224209399 0.021788274 0.041981238 0.036832741 0.07929874 0.037511385 0.025786837 0.02387768 0.045670112 0.097137569 0.028264937 0.073142857 0.024050994 0.031054706 0.071926103 0.073817433 0.036028759 0.020009812 0.022777641 0.03427685 0.082040511 0.031753327 0.061378449 0.032944895 0.032267883 0.01318579 0.014351816 0.015591348 0.026903472 0.012043008 0.033081376 0.039110189 0.03478913 0.022599815 0.019043634 0.015080221 0.044696666 0.236600068 0.027912366 0.017809909 0.039032915 0.012659163 0.035749855 0.009212196 0.043519744 0.013370455 0.010497033 0.022787347 0.032830114 0.041982651 0.038710483 0.011168144 0.023944769 0.050300564 0.007578715 0.050878958 0.010905106 0.024791941 0.162514814 0.010107067 0.026719635 0.015704041 0.067095752 0.092561321 0.010558361 0.008925023 0.053727684 0.056689595 0.057789031 0.049160712 0.067757496 0.039697254 0.008113224 0.022844549 0.013473285 0.073614449 0.034291335 0.012193763 0.01492823 0.016500135 0.015299066 0.101403373 0.022784576 0.08371198 0.014907836 0.069511778 0.075997918 0.029260978 0.028946062 0.061152765 0.024483548 0.018298578 0.023492024 0.036423634 0.075476181 0.01231267 0.065575882 0.065496565 0.027527982 0.044415335 0.015516832 0.151144101 0.019900105 0.011803218 0.076857285 0.051441634 0.017841398 0.057020455 0.043957961 0.021772636 0.008995138 0.019944546 0.03104896 0.030692682 0.042714846 0.036207778 0.017685769 0.02037406 0.206274428 0.020248808 0.056308808 0.010508744 0.06244073 0.011059559 0.028138617 0.033164715 0.030226208 0.01821241 0.078207985 0.089904827 0.036689112 0.039192281 0.078429114 0.086405566 0.018472945 0.121010656 0.104912043 0.017316293 0.031350003 0.044282518 0.037931938 0.051604741 0.061862067 0.034786264 0.099040551 0.049083345 0.086415808 0.140919104 0.044706298 0.100445526 0.032121477 0.151354069 0.027978747 0.042997108 0.041792382 0.070497248 0.036869062 0.036871922 0.020870719 0.022707216 0.015941101 0.067927302 0.048068384 0.03826516 0.053875869 0.01531287 0.029375388 0.065985253 Cyclohexanone 0.226845531 0.207668359 0.194936359 0.204699205 0.199898832 0.191476346 0.204251669 0.188294011 0.187359403 0.276942629 0.237860032 0.167206557 0.21048345 0.232059713 0.239080862 0.163025854 0.219056715 0.237757578 0.219133266 0.168119891 0.190969247 0.196895495 0.158195751 0.209065646 0.175695565 0.174733743 0.159037389 0.218946835 0.152100273 0.188821325 0.201435164 0.257209041 0.193686833 0.263503317 0.188938364 0.205953431 0.220427911 0.203092958 0.259299143 0.17123065 0.257206536 0.218355733 0.182731612 0.172858931 0.184510618 0.196970607 0.206971676 0.254640548 0.169785876 0.19703823 0.208843393 0.257755131 0.180029405 0.136275133 0.210607996 0.190716394 0.266072765 0.191421156 0.20630136 0.250350029 0.173145142 0.176054925 0.16226282 0.182016643 0.194677565 0.192817832 0.223071103 0.195317354 0.110551307 0.180556954 0.203837586 0.186618079 0.168900443 0.205511835 0.179325039 0.136326581 0.197964942 0.199672503 0.173048525 0.192437657 0.181540075 0.148048666 0.222182495 0.214043233 0.19947169 0.201300616 0.188448051 0.225362778 0.223279618 0.15095732 0.20019131 0.351214714 0.179064669 0.179730161 0.219142625 0.21135558 0.175166621 0.128028437 0.198139214 0.151940109 0.052904581 0.154141384 0.216440744 0.159565769 0.169669636 0.184603743 0.181004074 0.178732543 0.16506524 0.183179856 0.196382453 0.183157546 0.225306265 0.161662293 0.175573309 0.162302601 0.178568434 0.219597448 0.186517513 0.207112997 0.15242305 0.259358667 0.206868987 0.20579223 0.2302408 0.160295875 0.224772314 0.229488692 0.242009709 0.14068968 0.180566522 0.204688377 0.266672769 0.173590371 0.240506414 0.182579201 0.170564319 0.134940842 0.215566205 0.183552086 0.178653346 0.203862737 0.148164542 0.211104062 0.177885543 0.179784726 0.200307596 0.167836091 0.188926435 0.20869505 0.195067904 0.235263845 0.166726102 0.258580072 0.206781233 0.181465975 0.139844215 0.099189997 0.20812502 0.211773359 0.150864073 0.196610669 0.181225574 0.161744024 0.21594177 0.175387984 0.164841726 0.228620514 0.162347827 0.181949698 0.220012803 0.151592854 0.150744014 0.234881196 0.193879311 0.149989176 0.181668145 0.157769754 0.199568491 0.18690935 0.18309829 0.174357296 0.169691261 0.228778513 0.167242122 0.176308615 0.238829275 0.187142216 0.177694877 0.208533945 0.226648348 0.184005459 0.20852847 0.148099662 0.198703431 0.260209189 0.166314124 0.170001255 0.206884558 0.202094834 0.151859352 0.224158343 0.176375472 0.198257434 0.211761956 0.222753333 0.213173958 0.203618901 0.234411755 0.221878041 0.1699244 0.25167451 0.18714209 0.224492754 L-Homoserine 0.011207404 0.019344679 0.004352736 0.0220262 0.002358839 0.025229444 0.012561625 0.002721186 0.010982206 0.010438302 0.010875067 0.003886063 0.007142317 0.012257881 0.000826018 0.004570067 0.010626547 0.006399848 0.006973112 0.003911646 0.009917894 0.002972004 0.002784957 0.011007409 0.001999463 0.007100579 0.00432848 0.006965907 0.038851937 0.014219428 0.009117171 0.005508953 0.005158161 0.020199997 0.002775747 0.003960216 0.007720501 0.002040209 0.00244715 0.024936155 0.018916797 0.009149866 0.012943146 0.007346765 0.005114921 0.004818533 0.002582336 0.003089582 0.001286705 0.012475001 0.006685514 0.025330874 0.014350284 0.005557076 0.007694484 0.006169393 0.015354474 0.008461578 0.011680261 0.006869242 0.005999732 0.003846916 0.008814935 0.015903508 0.006076986 0.013777274 0.009582725 0.001856336 0.004252476 0.009924659 0.005126526 0.013271048 0.007530379 0.009501192 0.004590059 0.011901846 0.001918159 0.004930731 0.003313486 0.002802199 0.001946683 0.006077049 0.005976758 0.022244244 0.002548932 0.003005748 0.007403994 0.007854034 0.00879027 0.008203065 0.004953996 0.0162771 0.010802977 0.002992517 0.003974612 0.009323812 0.00280565 0.004228405 0.003610807 0.002355478 0.002121312 0.001014782 0.015211998 0.00776787 0.011128479 0.01308914 0.002347859 0.006761137 0.023715917 0.007867527 0.004895339 0.00355999 0.007890349 0.002282705 0.002488002 0.003634129 0.004344919 0.011197023 0.001589345 0.003377132 0.0140371 0.007569952 0.006681725 0.008045076 0.00959194 0.00635285 0.007114234 0.005502346 0.011426258 0.006856415 0.009015974 0.008127156 0.004107833 0.03509641 0.004036098 0.002065569 0.003624282 0.003269256 0.005816806 0.00777553 0.00427644 0.011744692 0.002793915 0.007083614 0.001932761 0.006500939 0.017193322 0.007743849 0.00327864 0.003427335 0.008678827 0.001940794 0.004458368 0.01385811 0.00506387 0.012189644 0.003739523 0.00204486 0.022028743 0.011172454 0.013415036 0.006929667 0.016723251 0.004472767 0.009998018 0.008754593 0.005279098 0.009868591 0.002176484 0.013767202 0.014106683 0.005658166 0.015446209 0.019895444 0.013876314 0.002091635 0.037973146 0.005241571 0.012161014 0.001070024 0.003625258 0.003855665 0.013718544 0.003100639 0.012628773 0.009448872 0.009324357 0.003227641 0.00356924 0.00854484 0.001828786 0.009708156 0.019010076 0.005969491 0.00938187 0.02217873 0.005099575 0.002155423 0.0079388 0.018378295 0.002137281 0.001736296 0.006222368 0.014799251 0.012809374 0.003291783 0.0050849 0.009417415 0.002249105 0.034545058 0.012540178 0.002933456 0.050090162 0.020156262 Anthranilic acid 0.006306526 0.010804953 0.00632169 0.010358929 0.012224287 0.005783424 0.011493904 0.011346971 0.009570463 0.015302718 0.012997739 0.011487859 0.007590909 0.007521868 0.01031885 0.009022327 0.010062316 0.00773394 0.009219797 0.010026204 0.011115949 0.008340661 0.002913045 0.014308186 0.011613177 0.012088635 0.008602077 0.01684965 0.010602393 0.013074335 0.004802888 0.017255577 0.013875725 0.00911356 0.014585269 0.013085063 0.014083808 0.006699385 0.001237393 0.010773523 0.007486057 0.008909107 0.006997158 0.006933902 0.009763616 0.015177908 0.000886668 0.015173144 0.013283785 0.008748012 0.009973847 0.000437882 0.012024319 0.005360552 0.005894382 0.005721646 0.011059148 0.017922274 0.007663396 0.014887401 0.017858174 0.017081957 0.013693664 0.012135106 0.00023719 0.019516339 0.010144941 0.012462757 0.006931339 0.009646861 0.004050867 0.013118378 0.008342407 0.010786971 0.004635465 0.001424872 0.012196187 0.001347764 0.011548659 0.007209739 0.008185348 0.007614448 0.008736067 0.00854496 0.011009677 0.010530374 0.011818164 0.008331663 0.012503504 0.011636679 0.009187394 0.004265181 0.011492059 0.013406574 0.007973026 0.007634901 0.007133413 0.002855687 0.012631939 0.009107778 0.000681489 0.010166994 0.005978918 0.009188748 0.005259935 0.004400277 0.007270553 0.007598913 0.001730912 0.011021486 0.006925081 0.009750648 0.007639222 0.009628068 0.012667722 0.009872534 0.011297728 0.008006084 0.018309912 0.006461124 0.004207168 0.023420803 0.005344279 0.014805311 0.00987698 0.00961836 0.008461415 0.013733073 0.012736364 0.009100512 0.008179749 0.011664626 0.014725233 0.006102289 0.009308469 0.00976544 0.007745588 0.007813686 0.006716964 0.012627589 0.010575589 0.012057235 0.012373834 0.011087474 0.008961444 0.009010823 0.005467734 0.008956797 0.015798556 0.000888571 0.007364956 0.01666512 0.008848886 0.010051012 0.015326753 0.009229859 0.005541027 0.006992073 0.010872517 0.00837098 0.013252565 0.01367996 0.011433395 0.012895896 0.008377252 0.013008495 0.006925512 0.014632656 0.010237349 0.008377354 0.010472636 0.011828516 0.005304279 0.009064016 0.006366285 0.012457257 0.009853836 0.006551722 0.007430967 0.013664294 0.014127188 0.012855515 0.018803518 0.01935555 0.016166451 0.012860622 0.008751027 0.010640602 0.006395964 0.011218857 0.011577868 0.008736695 0.014264011 0.014310938 0.007546239 0.017964117 0.007462427 0.016138132 0.005343432 0.010442691 0.009606795 0.008651414 0.01822197 0.004987002 0.001455645 0.015100014 0.007175427 0.015866552 0.012284859 0.000729183 0.012598623 0.011677627 0.000189032 0.004701136 Beta-alanine 0.004649237 0.011383401 0.004618395 0.002487965 0.010344347 0.004594551 0.008458391 0.020599986 0.004410232 0.013812848 0.004732693 0.008779811 0.007678688 0.011107599 0.001712974 0.006945053 0.0161105 0.009397189 0.005147633 0.004769496 0.012623832 0.00585838 0.006842375 0.005127224 0.008943693 0.012842365 0.006871351 0.01472624 0.009296739 0.004355223 0.012629081 0.060035106 0.002318289 0.013456859 0.005562604 0.002315326 0.004421684 0.019007152 0.016002829 0.013985933 0.001653272 0.002258881 0.009185249 0.010027927 0.007351436 0.006652928 0.008160374 0.008165235 0.012909948 0.012929138 0.016067705 0.00570808 0.003528889 0.00541995 0.008579555 0.006922647 0.00569521 0.007871946 0.097818742 0.006774706 0.012725781 0.00574006 0.008018229 0.006462963 0.00342429 0.014791419 0.009912849 0.010072677 0.005480711 0.011161982 0.006760513 0.010498078 0.003923115 0.004148582 0.008303831 0.011151201 0.006179826 0.006121081 0.004026591 0.008080063 0.00494637 0.003890675 0.012143617 0.018176529 0.015785789 0.011458944 0.00929065 0.01037556 0.006511232 0.006664719 0.015878756 0.005989185 0.009828072 0.004168596 0.014977636 0.011987162 0.011702954 0.025120114 0.004530586 0.01059847 0.000757729 0.014262533 0.008004572 0.010638579 0.008313529 0.016317644 0.011564715 0.004608469 0.008212483 0.004455122 0.021689522 0.005711947 0.018140806 0.006539624 0.007563402 0.008560524 0.004707573 0.016170873 0.010882977 0.022082898 0.005275559 0.003603309 0.012975001 0.007197746 0.002766606 0.00555439 0.002153795 0.014285393 0.016770331 0.0181331 0.040126588 0.00600471 0.02900309 0.007358782 0.015320347 0.003452855 0.005842007 0.002978742 0.016688112 0.018802882 0.00612556 0.004701299 0.012550281 0.008880436 0.009342924 0.006753519 0.013907368 0.067058656 0.008688341 0.021859437 0.010229919 0.011567384 0.009020191 0.006669984 0.005285526 0.006233579 0.006368529 0.003270867 0.018708771 0.026161608 0.01401645 0.006404736 0.006574445 0.017613229 0.003169364 0.005665059 0.00889969 0.010920319 0.008315419 0.005529571 0.015552838 0.008698651 0.011600306 0.002880521 0.012999707 0.009108995 0.006842888 0.010459977 0.012951931 0.003564021 0.007980598 0.006562915 0.010114124 0.007644139 0.008908012 0.011257785 0.00164145 0.001420347 0.004157691 0.006143818 0.007587688 0.015849147 0.013879514 0.010062329 0.018304588 0.003705874 0.019656823 0.011336575 0.009864351 0.008342264 0.003796509 0.016482155 0.02810364 0.033205382 0.010654779 0.006324728 0.020304585 0.004931913 0.002901027 0.025930697 0.033705772 0.009571298 0.006383119 0.004669558 Ribitol 0.034981515 0.025597739 0.04358045 0.036277215 0.038740389 0.036555779 0.038350381 0.032019795 0.037111141 0.042362244 0.034072867 0.035829695 0.03694964 0.025948737 0.033136332 0.02587407 0.03347445 0.106717472 0.025070209 0.038758436 0.029986281 0.036024393 0.03193473 0.035832438 0.048324331 0.047816525 0.025753932 0.084003571 0.038695734 0.031205508 0.028378243 0.058056913 0.056262864 0.037830215 0.113510544 0.036474885 0.036925806 0.048641155 0.059626335 0.033740958 0.040515066 0.031048601 0.027626454 0.034250612 0.039421964 0.051845635 0.045612078 0.098624872 0.055517619 0.043471398 0.053225972 0.033500692 0.055356703 0.029101487 0.065779859 0.031306956 0.061877213 0.051066038 0.0245832 0.044979598 0.072416298 0.02153928 0.041240813 0.035493105 0.027090887 0.052548885 0.042651413 0.043433132 0.030294293 0.023865521 0.03332046 0.031114133 0.042062049 0.025098243 0.035438784 0.053119917 0.043821996 0.044112769 0.051193078 0.040164574 0.051576567 0.024825452 0.026332392 0.046258096 0.034100414 0.043591294 0.038338745 0.04079608 0.052005677 0.125448353 0.037647496 0.036292368 0.034594892 0.043501643 0.033038434 0.02915838 0.034276102 0.061882231 0.060566333 0.021342667 0.00876644 0.042172491 0.040540383 0.034842974 0.051164326 0.037600647 0.023637396 0.040271988 0.054609579 0.028953594 0.122439582 0.039369231 0.038315314 0.031084317 0.052416393 0.035599192 0.043241774 0.032173354 0.118022063 0.039153123 0.035496525 0.069761302 0.048846056 0.042167917 0.03996564 0.038089359 0.081106227 0.051666168 0.038765503 0.057478411 0.044520111 0.055537263 0.06083928 0.032067849 0.048260462 0.041240981 0.035220315 0.02352862 0.039938571 0.049402104 0.136691467 0.039164411 0.100971325 0.040327008 0.040276164 0.048298097 0.052699789 0.036536057 0.04408127 0.045388932 0.078560035 0.042218265 0.04086309 0.073269426 0.042243295 0.02811778 0.033863439 0.015606201 0.046833173 0.082572062 0.067066149 0.04756993 0.067378772 0.037240651 0.034032488 0.779289866 0.045523497 0.05620631 0.040414843 0.043528182 0.048526348 0.049524101 0.119307326 0.023652951 0.042420695 0.031612822 0.053313516 0.026038447 0.036741422 0.019876746 0.041834518 0.037898197 0.037544857 0.050161421 0.062065162 0.046155523 0.023026918 0.022230216 0.026641233 0.026610155 0.039228493 0.044053547 0.049380758 0.052116809 0.041528297 0.050545827 0.034520667 0.041452458 0.040383201 0.027503788 0.023497726 0.025731467 0.047114156 0.037524232 0.026182206 0.03197734 0.041247557 0.037394888 0.037847254 0.033267622 0.040139943 0.037256638 0.05436683 0.025881406 Oxalic acid 84.92546946 154.2740263 90.64000136 153.1843283 146.9132793 86.44116706 150.1145894 140.4933195 131.922682 201.0813401 164.5214585 144.0959943 96.17314091 117.4888491 125.5644497 107.3826788 134.8194612 95.88399166 132.3701694 130.4478851 132.9895862 117.5997444 55.79131136 186.2162502 131.097564 151.7761262 133.5139589 180.8506478 148.1229712 164.3278357 77.01731918 176.4387417 150.6586682 121.1331706 188.5193474 135.3603684 169.7184288 100.7490625 18.50037875 145.2373207 146.7262494 99.24353077 95.40023045 88.23091413 121.1259066 174.2907792 18.47328844 192.1313572 164.7441738 130.1631083 144.6631435 15.60834369 144.1309813 71.38969645 85.22596718 119.7283466 145.3189778 211.774608 121.7393794 174.6416683 200.9800736 223.7272106 185.3597858 172.0942869 15.29005508 214.6313848 128.0978075 170.9475893 102.2529566 112.2451038 63.04453334 175.6710479 124.877132 155.635966 70.47803155 29.87266086 140.7714577 22.3603144 142.5300909 109.0667478 104.1038733 110.4667768 124.7452621 116.8430281 127.7876694 123.3206218 136.575081 124.4619927 143.9377339 150.3960594 120.5073627 91.86018824 156.2134216 144.8029775 109.6429649 120.5433441 102.7843872 43.01722643 144.7941689 104.0946193 13.43533697 129.7550481 74.88425553 127.7077556 73.90013784 63.452104 91.71786835 98.41452132 28.17803033 153.2252108 99.64169574 141.7066301 102.9180239 126.3383402 160.0078615 118.3352869 160.9964952 116.4640809 210.8157675 90.35245843 101.4479292 242.725723 85.04897958 197.069166 147.2295137 116.5836948 102.7880534 182.496773 171.5486795 127.0343885 130.2219334 124.4811013 171.1368 91.43896453 133.4995309 115.6701158 90.4580403 124.9291521 105.8756693 162.8305459 157.7834739 169.6841784 155.5331487 138.4964227 105.5203064 131.3343924 101.8947962 106.3403956 172.1995913 19.5254076 97.96602792 194.0336907 138.9520262 144.6393992 205.7197018 133.4981921 87.54731037 76.64040058 134.347753 129.2874452 168.4654509 179.6726514 147.2021042 144.9834273 95.99040496 148.3240213 100.3236676 173.7436432 135.4227883 111.5546885 153.234034 131.3160539 71.23515999 126.9915135 87.22890794 141.2250576 121.5721301 140.5066221 113.2948816 150.0118978 158.240107 145.8466851 236.383228 247.2468523 196.3669421 176.5572378 104.52101 116.1458732 78.56516908 126.6474357 135.4919779 119.2265183 182.3671301 156.848199 119.2221243 250.5982662 114.5661372 178.6117444 90.39490337 141.3356952 127.8008198 123.7156617 206.8246073 77.59757517 34.23234978 194.4145386 91.24025941 174.3975422 174.6581163 12.90387049 151.0970756 139.3685258 9.973208382 74.04563898 2-hydroxypyridine 2.318523601 2.725072425 2.180364453 2.308712777 2.116481496 2.39555038 2.364239621 2.419442349 2.521928013 3.709883876 2.572753016 2.527341469 2.462032998 3.162962263 2.707701194 2.005681645 2.816093761 2.762478456 2.147064186 2.328618743 2.188972281 2.685757761 2.447811969 2.572501693 2.414668985 2.473021925 3.362183721 2.647855383 2.381719156 2.330386435 2.357380521 2.789388486 2.271841104 3.262834374 2.472026092 2.6585417 2.503784079 2.625618308 3.332312419 2.816567324 1.674551001 2.540919337 2.356576934 1.927009311 2.364161495 2.396406989 2.417245096 3.083966648 2.507459229 3.538941955 2.693612014 2.637273354 2.005746607 1.878671727 2.370657984 2.408522447 3.540676261 2.274367703 2.408198936 2.602499656 2.908103176 2.329347089 2.300240782 2.086505013 2.59592658 2.330041096 2.650754013 2.424133388 2.449388526 2.400638506 2.245617282 2.422555387 1.770594423 2.320851581 2.045608264 2.020997742 2.816181801 2.539415523 2.171709192 1.998061614 2.2633763 1.948905441 2.752376023 2.537527531 2.310187928 2.606351375 2.258813828 2.864959703 2.73392615 2.098041076 2.613395265 2.116264654 2.770316363 2.292019025 2.345508715 3.631310056 2.507657568 1.954292491 2.917104393 1.962720616 0.659106648 2.148718898 2.33911746 2.314267004 2.042119846 2.006649154 2.524067868 2.29734504 2.017282415 2.754935175 2.451106242 2.431612363 3.219375122 2.307594138 2.180418433 2.114276599 2.237521048 2.790316683 2.303860735 2.835068342 3.53577525 3.367537921 3.397394564 2.364697173 2.626952892 2.701388237 2.779964241 3.346380915 3.271712436 2.473447381 3.715456582 2.811279711 3.501949004 2.155138275 3.299765667 2.24553801 2.189291606 1.406507484 2.382999179 2.751365773 2.237222617 2.379178744 2.138512924 2.390138736 2.629956447 2.592771137 4.245994976 2.513578581 2.480821347 2.300700908 2.591488013 2.773538191 3.426010568 3.404319816 2.606747735 2.050793289 1.547935454 1.324110521 2.980703911 2.776823174 2.538482722 2.357026782 2.117074756 2.197994174 2.494349217 2.157878824 1.958434776 2.520249659 2.096280308 2.139695456 2.994210792 2.109612098 1.912968669 3.146195014 2.258137903 2.068512464 2.422648903 1.944372498 2.807648202 2.182137249 2.430877451 2.341373926 2.290275208 3.158244574 2.328262864 2.315556312 2.761593176 2.145845985 2.511101522 2.631278846 2.32504279 2.347296691 2.903873879 2.424043747 3.174905815 2.923097532 2.264779742 3.660507203 3.103271041 2.347809931 2.478191018 2.516185646 2.458765705 2.469072258 3.06654613 2.939911815 2.496223019 2.316443966 2.960210218 2.438750731 2.20880618 2.764303573 2.092767593 2.901464973 D-Ribofuranose 0.033577315 0.065852043 0.039610061 0.051537895 0.047652093 0.087573012 0.065687882 0.045097565 0.040710096 0.058697294 0.035691606 0.043646905 0.049943943 0.058556356 0.046803476 0.043786875 0.129653292 0.037083123 0.048549949 0.053253387 0.047815181 0.057188882 0.132240216 0.04217255 0.05271943 0.05630498 0.056591496 0.049854928 0.100822405 0.039457293 0.041243418 0.085310759 0.040560148 0.069947929 0.052242006 0.052679125 0.045339063 0.031742929 0.068522567 0.113778485 0.057487132 0.047184228 0.039240202 0.025433126 0.05289144 0.056027603 0.081141562 0.054991904 0.068224651 0.039877679 0.060808466 0.072991157 0.094234579 0.029368559 0.034708379 0.024016231 0.084386216 0.070343568 0.026647583 0.043387389 0.076482084 0.064388399 0.054240249 0.065875184 0.031852738 0.077272232 0.065741874 0.052286572 0.031144362 0.04737857 0.062725877 0.033682421 0.035576624 0.024288818 0.047674335 0.065722334 0.06046382 0.087756549 0.047098276 0.043847588 0.045933742 0.030650403 0.054970607 0.028700919 0.051425386 0.043852924 0.068502784 0.102025808 0.053298247 0.139939427 0.094969722 0.046129574 0.069573162 0.044307016 0.048138047 0.063376144 0.05099093 0.050726901 0.069427136 0.041185719 0.00421066 0.053276875 0.034699761 0.051112588 0.093278531 0.04186694 0.063686455 0.037319656 0.031466381 0.054758489 0.060524851 0.062032497 0.059495268 0.049172537 0.058688498 0.043277195 0.052723977 0.045322682 0.0803938 0.049244231 0.062214886 0.087541168 0.117992118 0.045631746 0.041704442 0.047526239 0.058288095 0.070832363 0.096058889 0.049467448 0.069799883 0.053050874 0.060735209 0.087205928 0.064930439 0.143061563 0.045358734 0.075201945 0.112592984 0.061808166 0.073128634 0.03722932 0.063121698 0.045086113 0.039174036 0.057919165 0.063355023 0.099580149 0.144759298 0.048442703 0.050918112 0.223392897 0.050543106 0.052089795 0.041602325 0.034384127 0.050002656 0.018501264 0.052386971 0.062758836 0.060793324 0.067106523 0.117482883 0.0455123 0.041968663 0.038296586 0.112840757 0.060747622 0.043980442 0.048337444 0.070469812 0.033897345 0.107891065 0.042661608 0.043768304 0.040705802 0.047845089 0.019247467 0.048659801 0.042119085 0.042635481 0.04343824 0.062864379 0.051341462 0.063445182 0.118589551 0.034867834 0.045668294 0.03908917 0.042315269 0.049110545 0.048350916 0.06789148 0.073511625 0.056689506 0.047562623 0.08164719 0.049213721 0.07247951 0.040395288 0.038375238 0.055960504 0.077135497 0.057085745 0.045479125 0.057113396 0.044092103 0.041939051 0.036637157 0.035363797 0.05124071 0.052615762 0.052375944 0.038676526 Olic acid 0.050454308 0.017515742 0.230794645 0.022832531 0.034327751 0.127985085 0.046514654 0.01898344 0.283339892 0.030747924 0.02475398 0.56430099 1.541738215 0.110606331 0.126504763 0.090758513 0.033779493 0.014153441 0.049646488 0.016319098 0.014909514 0.029286946 0.027148612 0.105364727 0.500449903 0.035332447 0.031189812 0.01013606 0.038838438 0.110694687 0.032282294 0.051836275 0.014566271 0.330818301 0.072930863 0.143753487 0.182055782 0.05932313 0.301529595 0.177123369 0.084099296 0.227008143 0.057860363 0.078449644 0.055774519 0.038851859 1.097763724 0.029826097 0.10408246 0.09684931 0.204483573 0.051514244 0.107112925 0.068846785 0.095710038 0.358817987 0.10759032 0.34430916 0.031629636 0.110911728 0.21503757 0.198701361 0.076663406 0.060165463 0.042212318 0.053817977 0.218271993 0.073092125 0.279560625 0.067374076 0.0806466 0.03393656 0.024637225 0.016798182 0.082789369 0.015960097 0.118508101 0.143314036 0.067697088 0.071848654 0.043138261 0.027801706 0.11979029 0.648575111 0.076749014 0.058554626 0.096822801 0.014278217 0.095402753 0.019093487 0.118282799 0.024608196 0.016423494 0.051281762 0.148079544 0.171283756 0.120998293 0.023104438 0.058759309 0.17007136 0.027512045 0.212586659 0.020901764 0.060376812 0.719443738 0.015983147 0.12101871 0.026444111 0.166951563 0.277082988 0.017768813 0.017348448 0.184604008 0.190580963 0.273331136 0.176464283 0.197176193 0.163040856 0.020014109 0.051026788 0.035649999 0.260384093 0.132735872 0.027081973 0.021487457 0.050532704 0.019722757 0.360995961 0.049344327 0.264326306 0.025658113 0.275326622 0.266547241 0.149675721 0.12674282 0.148234811 0.068453659 0.05299965 0.057235835 0.130018627 0.257514511 0.024337457 0.330172266 0.18521913 0.104983812 0.134326729 0.03495203 0.409309023 0.046800895 0.021030054 0.33836526 0.273115371 0.025785405 0.20724187 0.10415338 0.044754554 0.014736433 0.047591304 0.139765562 0.090769979 0.119411174 0.070229922 0.049530327 0.052270075 0.902902871 0.043817157 0.197521318 0.029279563 0.296927804 0.023937388 0.088208529 0.134123636 0.092338778 0.045089815 0.144010728 0.295620608 0.14165592 0.155895095 0.141386017 0.249540694 0.031223492 0.394473981 0.35789953 0.028862055 0.06518855 0.157632895 0.105446419 0.141978135 0.228528062 0.106588466 0.192276755 0.166696044 0.27134598 0.560521421 0.143154486 0.293019434 0.060146569 0.521657115 0.059973371 0.148714719 0.158502063 0.203254326 0.049110529 0.042548508 0.025861768 0.049654576 0.024877917 0.171723932 0.046521844 0.040036915 0.069847335 0.01816046 0.053765905 0.178948333 Gluticol 0.059476882 0.05464552 0.057552279 0.082224046 0.045534712 0.054371428 0.084789685 0.019590442 0.022784985 0.108229128 0.151936161 0.068566785 0.005933089 0.026282874 0.013832125 0.025155963 0.124859728 0.236399951 0.011018827 0.155796794 0.133850032 0.132727631 0.015061393 0.150499052 0.159309885 0.05110615 0.155093295 0.223257147 0.284641262 0.080458095 0.112909615 0.059160263 0.111169447 0.306993785 0.116842468 0.020403856 0.018279477 0.179188168 0.044436874 0.066930083 0.210991867 0.057498642 0.062363183 0.053959132 0.119855891 0.299993901 0.016438737 0.061604826 0.017857941 0.114313019 0.077691864 0.007312682 0.012934476 0.032663455 0.104643106 0.072003664 0.190316204 0.046157919 0.124742145 0.396066658 0.209963701 0.038857567 0.030460926 0.036120069 0.002207619 0.103201113 0.746901225 0.070677042 0.086032655 0.075418503 0.167977997 0.040707257 0.029403873 0.05612308 0.013829303 0.087387185 0.035936959 0.013299793 0.012452634 0.275213262 0.055831107 0.052891965 0.010526694 0.196223478 0.032123878 0.080258396 0.097683084 0.08156587 0.072160965 0.010731439 0.017213436 0.141372402 0.059817975 0.210874007 0.065760132 0.178582034 0.091889407 0.25914093 0.140533731 0.062154418 0.027947374 0.039190907 0.200036013 0.073523012 0.169636455 0.212694149 0.216203236 0.160223274 0.055245703 0.117366947 0.166484242 0.128134748 0.03712731 0.041091266 0.034403098 0.12238672 0.104158358 0.278002201 0.040763136 0.336301376 0.047544638 0.161572565 0.008736607 0.018596546 0.050244795 0.293128796 0.267798967 0.099776134 0.026757942 0.02577606 0.336021922 0.091186319 0.119586068 0.055256072 0.020148993 0.054299165 0.251386493 0.080313679 0.121307471 0.080930124 0.02672029 0.154782347 0.040430091 0.019147773 0.059065824 0.157442224 0.023589722 0.208687687 0.164034489 0.483161283 0.276652523 0.021743655 0.516724025 0.208543836 0.108582825 0.005655413 0.063189414 0.071120112 0.090508483 0.07897701 0.092904721 0.006042944 0.033263935 0.100791292 0.168682694 0.096605803 0.081135403 0.031841165 0.059706225 0.064099153 0.025775033 0.092899622 0.025437773 0.380089899 0.065195843 0.051058832 0.046923953 0.066697445 0.133628835 0.116787262 0.103107438 0.114459509 0.454067675 0.023588669 0.022845785 0.020613866 0.008273994 0.007631281 0.109564102 0.004690484 0.197479652 0.161140047 0.021211485 0.098295574 0.321205419 0.149268109 0.013132886 0.165361285 0.158817815 0.242963399 0.24417265 0.042581855 0.127127648 0.035266293 0.014674852 0.048188255 0.110278963 0.202900574 0.04358259 0.00566975 0.046776927 0.215246039 0.001755746 0.025498303 L-Ornithine 1.466640372 0.488902311 0.281630576 0.449855725 0.754543665 0.631257605 0.758243584 0.96993599 0.552530572 1.115741989 0.568238657 0.685064878 0.919455624 0.593191393 0.33790956 0.636936519 1.05907686 0.628188477 0.421170042 0.504409294 0.599696523 0.455728068 0.709407078 0.691302445 0.977673997 0.641031843 0.628973253 0.499107333 0.476737513 0.364088172 0.562404647 0.685019667 0.3401812 0.8305444 0.804667466 0.403129861 0.334081334 1.162138725 1.862768969 0.602065852 0.270321712 0.618041896 0.945383266 0.935828845 0.514557753 0.498255018 0.463074908 0.557914893 0.832109967 1.312632651 0.378766893 0.506276928 0.531906033 0.678543597 0.818217514 0.732831916 0.574980256 0.679875451 0.62652416 1.005687424 0.740868306 0.385858226 0.490425869 0.558324476 0.411449321 0.9225975 0.428268875 0.364258969 1.248739788 0.476036146 0.895951962 1.378840005 0.812930752 0.536334531 0.772394951 0.714517182 0.654133165 0.505758726 0.352336598 0.607593005 0.705866654 0.347198017 0.438495287 1.932284168 0.707964309 0.703108789 0.692024653 0.476631945 0.526453674 0.895809509 1.083745628 0.415091655 0.379356632 0.419268077 1.20969099 0.971030099 0.769838938 0.95417436 0.19507267 0.609644868 0.12551503 3.005853831 0.827186547 0.610474079 0.500308325 1.52062132 0.573941163 0.777740763 1.296035313 1.655989177 1.211484319 1.000701028 0.882900049 0.600930195 0.753167875 1.051438116 0.605842462 0.896174666 0.492302556 0.844818271 0.67855786 0.351885762 0.934634025 1.019697095 0.652847735 0.601642825 0.311640094 0.595106963 1.482040185 1.479876329 0.928780419 0.912587831 1.578810389 0.90875888 0.906274909 0.437881968 0.375228573 0.465253607 1.408158608 0.886395992 0.944572173 0.775013965 0.606182095 0.65314403 0.928827711 0.75386089 1.137238341 0.714081388 0.821605534 0.668755541 1.15732097 1.52616787 1.025723867 0.728981718 0.724135598 0.794153794 0.810425175 0.324437686 1.190129081 1.303823461 1.390750936 0.442332693 0.921766705 1.309876062 0.653013415 1.638468801 0.649514019 1.214885201 0.735764142 0.920528525 0.746014642 0.634519174 0.877336777 0.551764084 1.155908977 0.781045945 0.527089444 1.076537947 1.135681168 0.353686018 0.470868834 0.713748381 0.509620626 0.631593697 0.634590485 0.581024626 0.181773344 0.329637649 0.578760222 0.259610169 0.413316884 0.669892343 0.685882992 1.224740009 0.766473318 0.299077934 0.550328445 0.575692185 0.599606565 0.69753244 0.408615245 0.495036822 1.245839959 0.713112476 0.342519185 0.955995338 0.957917508 0.524026559 0.32788535 0.875897826 0.583503743 0.593883532 0.48826438 0.407114929 Hydroxycarbamic acid 0.017386707 0.037532534 0.033378631 0.042657668 0.040234754 0.022280919 0.028646959 0.026049499 0.027674608 0.035607067 0.031495235 0.058563872 0.025764323 0.017857441 0.043989567 0.021891635 0.02620921 0.021587091 0.030220725 0.032178682 0.034514416 0.027314189 0.009954789 0.034374266 0.040213274 0.028933397 0.030425229 0.061285402 0.03768497 0.044006616 0.013346692 0.067073281 0.055220313 0.028082497 0.053640975 0.057811838 0.026960754 0.022849314 0.004204971 0.035760722 0.026784899 0.078808376 0.028187701 0.024297376 0.037553379 0.04302152 0.006484 0.045417386 0.039402049 0.022844329 0.0293137 0.00769076 0.032755306 0.024833178 0.020345949 0.021314473 0.028899215 0.047478741 0.028085851 0.045691307 0.045975558 0.045096805 0.03989463 0.035088979 0.004034818 0.055691759 0.035190122 0.033248718 0.028265346 0.04204353 0.019480924 0.037382257 0.033701382 0.040558814 0.017330644 0.014992301 0.046762372 0.00566075 0.028759087 0.027775735 0.02800806 0.027744762 0.02426147 0.024603011 0.032105202 0.031206884 0.037363876 0.030048783 0.041308067 0.026194746 0.02748403 0.016591795 0.039939904 0.04125905 0.025275717 0.020998968 0.024342672 0.013397449 0.04321088 0.030911744 0.005755969 0.036808027 0.019312484 0.030287502 0.023787417 0.021096004 0.032925494 0.02511394 0.009360889 0.028718574 0.029840829 0.032991689 0.025056694 0.029042478 0.036415763 0.039655903 0.038415466 0.022470306 0.058119087 0.019821512 0.021420151 0.090332659 0.020814103 0.045191026 0.026745671 0.028506712 0.040929989 0.031305288 0.029405978 0.02254403 0.032303939 0.038060994 0.04878252 0.031946933 0.022557845 0.033478262 0.03034095 0.023038733 0.024539481 0.029205962 0.039720834 0.036130905 0.031703539 0.025170033 0.027459376 0.026447502 0.020939295 0.030634891 0.042421424 0.007881291 0.028262221 0.041617417 0.041607992 0.022486542 0.039017641 0.029527905 0.020440804 0.030751412 0.034277727 0.028495423 0.029344995 0.04909752 0.029547464 0.036056157 0.059634991 0.03850064 0.033776951 0.030031059 0.026624466 0.025630382 0.029833615 0.036993866 0.016795072 0.021382188 0.021322104 0.039482951 0.035879782 0.0157638 0.020509596 0.071230747 0.047657049 0.046962879 0.061477797 0.048707816 0.031850361 0.068054437 0.046881533 0.043848687 0.028294633 0.036026737 0.033091805 0.040856915 0.04335789 0.110062785 0.038928377 0.062423233 0.042467363 0.05214476 0.022334742 0.03846742 0.024810344 0.03079027 0.063986499 0.017819068 0.010765 0.034961751 0.026736765 0.049818413 0.041911947 0.006397698 0.047359699 0.036856193 0.005753793 0.019402869 Alanine 9.169488643 14.55864378 6.598095635 12.64437605 12.05790982 33.58741278 11.15766268 10.35541204 5.874269194 19.81356154 12.60913976 7.403298247 10.1719701 10.6883235 8.531320506 10.47175086 16.72335285 10.862492 10.15305383 10.2873762 12.59880638 6.831473634 9.646521319 11.99065066 8.322177211 8.354984215 10.81218188 20.14731336 19.38355586 6.790807496 13.74203136 23.24188979 17.20774084 10.23553818 11.32028943 8.793058996 12.74153022 11.36191963 20.52670312 13.49376049 10.35635645 16.61534632 9.463682551 12.31932146 13.56574224 16.91229661 28.38307105 15.92003837 7.962941019 15.97150824 8.979891465 22.5473491 13.16341517 7.314353001 12.03458122 7.826337374 11.23958772 8.526153989 10.73951971 16.89251659 13.95833392 10.33465665 9.718533552 10.24027897 8.432317715 24.42949234 9.085206424 9.537987787 6.935527829 11.1240337 10.71216774 17.54493456 13.75219785 11.19081718 8.919342342 21.68781615 12.32959561 7.795669494 9.016864622 11.31810846 8.577889323 7.815750824 5.84341312 17.72069502 10.67966101 10.11993239 12.69934751 11.47998487 15.58615997 14.23827683 15.75192736 14.02547599 8.323712572 7.698586208 7.373790008 15.16262572 8.385674881 24.66657565 11.83353807 10.16244665 1.479136641 5.830464794 22.14332014 13.1884436 13.26204759 16.33259588 8.980095769 12.68354004 11.49145408 10.18032972 12.99462653 9.806229323 16.05003718 5.86418346 8.950435608 6.299843858 9.06538931 7.433944648 8.742743522 13.02533365 11.5451363 12.71754155 8.877688272 12.98936149 3.277284176 7.987809172 12.58547595 7.949311974 17.20745147 6.203966905 10.14298927 10.45647594 12.87523827 19.75723796 8.444824829 9.853369679 10.57810374 10.53779751 19.1145447 11.70320009 7.491093082 15.79008462 15.53856872 9.79695759 8.165811689 7.958335472 11.80921181 11.52792717 10.97101233 19.27599312 9.742225646 10.1295289 10.2804947 16.36477275 10.18077106 9.125947087 8.002863216 4.474645214 12.95272492 10.70750846 17.24685903 11.50088985 10.77350465 14.03897992 10.50029187 9.850314821 12.40841467 12.76234785 6.221881709 15.56285541 11.90571962 8.123771199 12.29274855 17.97336546 16.1181952 8.716344076 24.4684841 7.270423696 16.43293008 7.900551866 10.4103834 10.85524995 16.14285844 11.89468426 10.05078768 13.08677943 7.665404416 5.942900617 8.83354705 7.59510877 6.604545733 13.78575717 12.24498216 17.52844453 13.92733026 11.65202418 11.64278213 16.51318356 16.12079881 7.738807609 4.779962016 8.488863875 24.64432029 15.4558758 14.11356153 13.41933055 15.13557346 12.133134 7.670014524 16.6046239 11.62883978 12.28501418 28.45700043 11.29928614 L-Tyrosine 0.841142197 1.474697655 0.852653121 1.851008169 2.346130101 1.113012653 1.502721582 1.71256925 0.782012662 1.706417385 1.162240764 0.983387959 1.128211048 1.004605419 0.880140497 1.079341314 1.538505099 0.774605661 0.775544654 1.27449671 1.493242538 1.03942862 0.97980339 1.312970018 1.362440986 0.853447145 1.274943262 0.80404124 0.979180466 0.809649964 1.272359345 1.908567392 0.931618502 1.222512522 1.09619916 1.062807312 0.562437953 0.875089773 1.504682985 1.113167964 0.819321315 2.189280122 1.644321051 0.956987374 0.952401486 1.041709659 0.99851848 0.898939923 1.442731708 1.232785974 1.016016011 1.478906987 1.118447203 1.317433507 0.928158202 0.634706351 0.93668339 1.354842369 1.591663356 1.400671291 1.855908726 1.272912941 1.566294544 1.231441574 0.838332403 1.718246183 0.925245219 0.764949653 0.662634108 1.346281143 1.400429972 1.509637439 1.73572015 0.817702417 1.45049837 2.197675315 1.765356259 0.736548088 0.772348823 1.033444875 1.109885228 0.844018267 0.652466099 2.047261714 1.052150023 1.224002069 1.039994676 1.493515645 1.038247179 1.726956371 1.085228544 1.488408424 1.148442496 1.159236653 0.830106881 1.515115616 0.705487617 1.220865837 0.437798848 0.964770142 0.163759592 1.106657164 1.614783341 0.762904867 1.660475574 1.747633127 1.283196404 1.236489541 1.04923767 1.209154282 1.241068347 0.80970688 1.219144186 0.791975971 1.18246315 0.946876613 1.035337139 1.575653836 0.982738416 0.961686548 1.078231146 1.678919637 0.792574849 2.893667929 0.988410101 1.04331594 1.334447537 0.965552184 1.128986328 1.365988395 1.205962888 1.160747719 1.819533817 1.314833432 1.094452904 1.233499526 0.969615448 1.264684808 0.918835891 0.910404309 1.767639911 1.358228117 0.568992198 0.845642239 1.057544526 0.726338597 1.480841314 1.923160594 0.773733702 1.472788433 1.757911358 2.014163177 0.870864333 0.974553669 1.240244966 1.300341507 1.489215551 0.371037867 1.604791555 1.313728919 1.770038085 1.777882221 0.903188791 0.97282451 1.227495495 1.982791834 0.879088164 0.820102684 0.97136858 1.213245741 1.184118151 0.557523359 1.394904006 1.287846223 1.55848304 0.829227934 1.270212528 1.193121732 1.610887854 0.912211774 0.625147018 0.996277057 1.986619485 0.68485189 1.055016535 1.570922032 0.838693765 0.820884904 0.864920566 0.633630409 0.774323271 1.56877793 1.229205124 1.786599997 1.523020653 1.150241514 1.170676595 0.973431056 1.903644573 0.694078182 0.719344683 1.208580332 2.62352015 2.152624324 1.273956465 1.261087325 1.507178666 0.857144406 1.002896075 1.63107521 1.535037227 1.624359538 1.801458178 1.792994927 1,2-dimethylpropanol 0.020504722 0.027453551 0.021411242 0.016811495 0.012816287 0.020974 0.018604631 0.015127128 0.021115058 0.01220081 0.025016328 0.025052946 0.01575772 0.020037743 0.024475011 0.020380986 0.01865962 0.029235806 0.018374837 0.023728232 0.023219816 0.024972987 0.014624979 0.023969224 0.028457221 0.021485365 0.018006777 0.019459796 0.021848565 0.01610471 0.015410751 0.034116804 0.007896011 0.020756694 0.024158452 0.021096252 0.028064881 0.020484668 0.026371427 0.024988899 0.029337269 0.024762084 0.017093088 0.020941136 0.008280611 0.013099062 0.025871069 0.024454173 0.015954303 0.015563327 0.023459414 0.049078993 0.023376408 0.017463802 0.017736941 0.023047128 0.033075466 0.014829466 0.022709021 0.023596642 0.020834132 0.019898667 0.01114368 0.016200633 0.015937452 0.016799415 0.028885745 0.018140448 0.015696533 0.008928761 0.019190439 0.015447115 0.01194351 0.024490648 0.016293763 0.020588438 0.01235977 0.010578749 0.018424378 0.019959084 0.017074945 0.010961005 0.020683295 0.025201129 0.0158953 0.017165875 0.024494017 0.025356511 0.027935261 0.01386034 0.016241543 0.044382809 0.008677159 0.009892907 0.026354228 0.016570727 0.015795854 0.013287175 0.013561683 0.019061913 0.005159244 0.006247381 0.023544806 0.010908112 0.024763346 0.022956186 0.02603891 0.025399326 0.01446819 0.023046822 0.024356535 0.021920374 0.029594835 0.023790993 0.020320569 0.019938097 0.023997626 0.01631859 0.024675229 0.025798757 0.015452012 0.036364703 0.022578982 0.015247241 0.019836647 0.014217649 0.016671808 0.016243863 0.031814956 0.013433559 0.023364507 0.028496796 0.03213247 0.023146655 0.029308074 0.027706069 0.023533273 0.017851301 0.028911699 0.015490612 0.012904403 0.016208132 0.022407875 0.026527966 0.021363054 0.024320036 0.016107165 0.023060025 0.016028989 0.023265974 0.02469861 0.021708851 0.02469981 0.02333106 0.025743098 0.01498484 0.014128041 0.012650295 0.017954905 0.014358757 0.012506202 0.025660651 0.01284002 0.013249113 0.025792678 0.024179039 0.019182206 0.016860595 0.01850819 0.014868373 0.019937934 0.020462433 0.01480019 0.029754277 0.017981724 0.019898788 0.018810472 0.018228891 0.023188982 0.022993624 0.022295296 0.021888082 0.018758636 0.026987763 0.016574526 0.007714734 0.028648603 0.026272061 0.022193862 0.0141431 0.021604616 0.004549747 0.007376889 0.027706625 0.004803858 0.011754348 0.001961794 0.022179447 0.021107286 0.021373658 0.014077451 0.012689993 0.011472974 0.01933627 0.018840581 0.020414834 0.016388073 0.018336649 0.024344826 0.032602063 0.009784707 0.037098256 0.024891975 0.018980809 Maleimide 0.035015705 0.107738794 0.218063742 0.096596088 0.094885558 0.081021052 0.061418837 0.039053675 0.042746415 0.046691518 0.032774774 0.165843306 0.062926791 0.05676518 0.069806631 0.044643824 0.051461691 0.042075157 0.044460877 0.06394737 0.082196683 0.068835945 0.044165987 0.038963549 0.082034239 0.030622918 0.095959026 0.121197891 0.086446032 0.071644834 0.044287054 0.130437991 0.052380833 0.052094534 0.112015167 0.135018276 0.02319637 0.064317056 0.038094429 0.041026793 0.0435327 0.488263811 0.106232315 0.081240842 0.09850707 0.048417464 0.064074384 0.092961108 0.08577319 0.068037059 0.026805798 0.130873047 0.053666957 0.089976106 0.095280452 0.042144982 0.055680983 0.069628582 0.03833415 0.076628016 0.048599769 0.029544026 0.03050302 0.046474922 0.051532056 0.06834501 0.046352084 0.034094742 0.095068762 0.079386151 0.110345305 0.07987173 0.063453476 0.134354857 0.055027074 0.179074979 0.096712201 0.058136563 0.032738404 0.053306359 0.057239678 0.044910157 0.055171127 0.05856083 0.075463488 0.071161057 0.117083194 0.03364949 0.044467482 0.028028166 0.081679088 0.066283031 0.107390203 0.07367174 0.068229571 0.049348889 0.085374456 0.052626583 0.059222219 0.106189973 0.061892705 0.049624019 0.072452187 0.090810982 0.102085666 0.147086089 0.159534388 0.060638294 0.130082038 0.029720475 0.119930809 0.059206026 0.063850448 0.10223417 0.04723939 0.138352766 0.057195517 0.064688076 0.059623346 0.057526759 0.110037801 0.097161949 0.108036495 0.07459861 0.049909067 0.085875485 0.100643132 0.047796656 0.067491865 0.03949585 0.098261011 0.126963754 0.120771771 0.187427723 0.043104756 0.072562823 0.122075838 0.027968772 0.062519244 0.069028134 0.129641023 0.069570153 0.046344249 0.043974605 0.074151454 0.02989407 0.124928223 0.093832546 0.092799821 0.106401092 0.120967859 0.063738947 0.148769069 0.049072982 0.070355032 0.077165654 0.040210394 0.083777616 0.114666352 0.067152968 0.02880667 0.100157735 0.025863969 0.063681942 0.462417534 0.050100617 0.149943694 0.031822551 0.042871474 0.029750989 0.052229232 0.091489721 0.044366487 0.044592155 0.070653174 0.077921224 0.114458208 0.027329114 0.051786404 0.260994925 0.112079924 0.097412942 0.06842582 0.071142893 0.022381841 0.038319127 0.119224105 0.066021656 0.149498461 0.060478601 0.053608362 0.11525653 0.041802809 0.238680255 0.175925243 0.025715286 0.03896655 0.069668893 0.048342693 0.04374965 0.026603998 0.047851282 0.099404847 0.059142608 0.049472557 0.055351488 0.138348144 0.110468764 0.063889359 0.038768152 0.100993201 0.055031771 0.075082184 0.061149448 3-Aminosalicylic acid, TMS 0.072461043 0.059845079 0.029508971 0.028775304 0.072225227 0.051766174 0.057448048 0.059809988 0.05218665 0.083304671 0.078618321 0.047636306 0.033517999 0.08903991 0.027309596 0.047782372 0.065143124 0.072796976 0.051342571 0.060182191 0.062872095 0.060449567 0.050992926 0.070351086 0.02904213 0.059814635 0.063323545 0.038378383 0.057682858 0.046159578 0.058501561 0.040840156 0.029394888 0.086146145 0.049869929 0.031856742 0.066517134 0.067388358 0.092113456 0.057381569 0.04638549 0.018054131 0.03799408 0.043808172 0.067728365 0.081422686 0.060577464 0.053012388 0.044377376 0.069537316 0.057096151 0.035316974 0.05213876 0.046202418 0.067377503 0.07085517 0.074276972 0.054490585 0.060254216 0.071982907 0.07147669 0.050384854 0.047736382 0.050159786 0.066725156 0.068447667 0.070006126 0.044876419 0.047584784 0.027353491 0.064708 0.062874936 0.0272859 0.05649727 0.045730826 0.062666448 0.040525085 0.031370479 0.059945768 0.049964584 0.061854142 0.039564908 0.067401258 0.065905155 0.055399162 0.071380931 0.06365295 0.059472192 0.038663656 0.052997874 0.0657735 0.079521773 0.061854938 0.035229239 0.069567962 0.103065303 0.069607537 0.053306555 0.030948462 0.051821863 0.008112008 0.049695818 0.069860032 0.061895316 0.05117963 0.068314056 0.04653529 0.066273685 0.037837893 0.055018179 0.061078085 0.054915478 0.073471871 0.04700012 0.05602275 0.063701776 0.053389764 0.069578453 0.057863793 0.0829332 0.047200826 0.027151663 0.073849728 0.068592541 0.057676665 0.043953441 0.028708388 0.095492371 0.099924283 0.065362556 0.06049807 0.04151451 0.078072204 0.058212655 0.05232294 0.030286889 0.040561612 0.045139692 0.069204423 0.077413148 0.04860744 0.058269291 0.055558468 0.065737844 0.05429204 0.052533377 0.062168682 0.050195764 0.073049594 0.048794189 0.072984701 0.0751221 0.07387312 0.093805857 0.07423755 0.051055303 0.042725821 0.023539716 0.066257499 0.069537231 0.062960651 0.030823977 0.05064308 0.068490954 0.028121854 0.070362153 0.051632042 0.071148803 0.056088963 0.06339736 0.071715878 0.054723988 0.061036213 0.070136156 0.051522361 0.055912884 0.088701122 0.059473732 0.068504926 0.026920401 0.052452694 0.05263208 0.082840005 0.072673171 0.045051058 0.04690881 0.016343083 0.02225434 0.034364045 0.033233555 0.063430706 0.053733116 0.064643195 0.068847505 0.06463566 0.035955528 0.02165654 0.061205768 0.066223371 0.050309235 0.066421028 0.05556541 0.083192927 0.06997097 0.05687932 0.083631209 0.075090482 0.065303874 0.028815975 0.060165276 0.064175784 0.07405818 0.070719332 0.069469491 6-deoxy-mannose 0.101187419 0.2025633 0.116446855 0.143188149 0.139698818 0.22825538 0.190644026 0.122680128 0.129607713 0.166578204 0.11445045 0.139778214 0.156275335 0.18005501 0.148397821 0.122144553 0.384218839 0.103835522 0.145839279 0.148285672 0.12125169 0.170983616 0.418720177 0.131792531 0.16124601 0.143158007 0.168470045 0.152632351 0.293726367 0.117028827 0.125025708 0.218580008 0.108886853 0.234327079 0.142405783 0.1704701 0.140823413 0.090502251 0.212411585 0.367263472 0.185505978 0.176238549 0.109933403 0.050340908 0.142542989 0.153200411 0.284548088 0.142921992 0.188146132 0.083945304 0.175694325 0.193462909 0.302778665 0.08814327 0.091305436 0.072055313 0.257572855 0.201828946 0.078494367 0.123389525 0.251429821 0.203001072 0.162519073 0.2015217 0.086572178 0.208986407 0.205139492 0.13876284 0.091401687 0.141425129 0.190754349 0.09323259 0.104092386 0.072689834 0.149104903 0.188641747 0.173683644 0.246787587 0.141648058 0.125162908 0.13621178 0.092883318 0.15588466 0.084053547 0.143682697 0.12749813 0.203837833 0.193426627 0.147107216 0.416110122 0.275148668 0.127597441 0.203766884 0.126401477 0.143262526 0.190770507 0.150950038 0.129805171 0.179428455 0.116311721 0.01318791 0.149764189 0.107016251 0.152128509 0.291811193 0.124238008 0.183944781 0.105787966 0.086354233 0.180569358 0.156275979 0.189296647 0.159964342 0.14118628 0.183766842 0.133010098 0.157840087 0.144715091 0.215577694 0.154861359 0.180080309 0.251544994 0.367844308 0.13578112 0.117458581 0.130710784 0.125093137 0.219761966 0.281793911 0.140679682 0.210329229 0.152358489 0.171733451 0.265494148 0.169457846 0.460565681 0.130215338 0.23722153 0.340517098 0.161711239 0.154584272 0.109647188 0.177449351 0.127370266 0.11059406 0.126095414 0.169780743 0.292989866 0.492828955 0.130582628 0.168338923 0.687677347 0.134029798 0.138157865 0.123516271 0.107305311 0.153128065 0.050079483 0.144818531 0.149202678 0.160888658 0.197372601 0.376682681 0.110261843 0.133544342 0.112552965 0.341500829 0.17390139 0.122474535 0.132364657 0.21932667 0.090088629 0.31411664 0.13869839 0.133620404 0.100681535 0.127348224 0.050869596 0.133496412 0.123399118 0.112685818 0.110157444 0.213416583 0.136601957 0.182344479 0.351705059 0.10464688 0.132681255 0.113523634 0.132825161 0.149160251 0.144082549 0.225994412 0.20206908 0.171183148 0.160238038 0.253158709 0.155188973 0.23778871 0.117350527 0.112599218 0.173963191 0.209191103 0.150825829 0.130297768 0.162426164 0.114695194 0.128970349 0.107109319 0.11167881 0.146015278 0.152331237 0.16938353 0.143927698 L-Tryptophan 0.573602599 0.849510591 0.432562217 0.867579106 0.724232904 0.568260169 0.802602273 0.625860907 0.326848445 0.765842311 0.710081833 0.485474485 0.397047537 0.771351195 0.56971526 0.721441178 0.720454403 0.352151877 0.622627871 0.823498312 0.620475335 0.704570755 0.581424654 0.769869494 0.689937307 0.499294715 0.607652278 0.3846876 0.60311684 0.540986576 0.821540999 0.801788026 0.483287822 0.918328495 0.685233089 0.470419011 0.428905776 0.414562844 0.865737796 0.727843954 0.276928857 0.548909125 0.976283556 0.56237959 0.439830772 0.536128784 0.49103233 0.425844031 0.76519184 0.759198732 0.643401245 0.72115758 0.674758781 0.780407268 0.649707635 0.543300701 0.617009157 0.977535702 0.6798758 0.563150936 1.149885879 0.526526949 0.601741268 0.793064437 0.606251532 0.796006406 0.811856005 0.462248196 0.351109272 0.549879773 0.620113108 0.72032939 0.773974428 0.498808916 0.5594152 1.128179778 0.713604746 0.54369397 0.57196277 0.655891126 0.551950404 0.562779585 0.455945339 0.997734576 0.596967977 0.846668549 0.621591453 0.790997409 0.827262834 0.792298494 0.737078893 0.985203394 0.531923471 0.600015202 0.598189957 0.787748771 0.451077001 0.449074731 0.483659182 0.537120543 0.092886388 0.537504628 0.745779962 0.522469537 0.701257031 0.928806676 0.621821369 0.664888615 0.477840952 0.547287384 0.81447135 0.651952682 0.809974086 0.467027314 0.69138572 0.513937142 0.631735366 0.727414336 0.593630418 0.56703694 0.532691597 0.706303198 0.647309234 0.923769347 0.570834605 0.35759272 0.594134887 0.68927441 0.635714113 0.577090739 0.610971752 0.61912743 0.601657227 0.64962899 0.501159992 0.646388683 0.580201041 0.685109614 0.648290673 0.62084123 0.702549108 0.681993653 0.409667544 0.458192359 0.529427027 0.612352548 0.640234039 0.796992787 0.498120048 0.983603666 0.751004502 0.698060875 0.644329037 0.603260794 0.681689604 0.548363422 0.584804786 0.280712677 0.75291045 0.503122748 0.538648899 0.778775598 0.36343279 0.506113116 0.424589317 0.831863935 0.590671315 0.625960116 0.687524196 0.756085257 0.611986158 0.369299722 0.384269458 0.654455651 0.741920942 0.64027283 0.540335043 0.574105529 0.806137583 0.479435268 0.729017507 0.787516563 1.00894186 0.856945236 0.480057409 0.728640411 0.381240728 0.417253977 0.432369459 0.446899637 0.410464368 0.614563448 0.624253292 0.925448602 0.574424942 0.541979876 0.612143881 0.541599715 0.713847845 0.615092051 0.298458358 0.385336266 0.942598762 1.008587786 0.624039613 0.69760151 1.007087745 0.660002897 0.502488749 0.73777877 0.63996617 0.611848547 0.938863365 0.951721994 Dodecanoic acid 0.063903405 0.074099693 0.082891296 0.040674896 0.064589133 0.038291378 0.071274322 0.056911496 0.06531469 0.076826556 0.063840188 0.122924025 0.063680475 0.084371648 0.170668968 0.125582791 0.054160799 0.095898453 0.04732235 0.083746677 0.069699405 0.066751375 0.061491796 0.072138201 0.089177605 0.063540069 0.050781676 0.135696113 0.078971676 0.064552934 0.077544454 0.190141271 0.176020157 0.102954712 0.058262782 0.215552257 0.058755423 0.061931085 0.093429907 0.073000399 0.072776747 0.162115717 0.048663608 0.072923433 0.07655542 0.058081482 0.063534399 0.074289667 0.054884605 0.056922526 0.072844752 0.200505949 0.060556394 0.092936866 0.095332353 0.085586832 0.096848917 0.07799748 0.059211568 0.08696596 0.091006604 0.090464113 0.064725935 0.05199354 0.066816116 0.086257915 0.074096033 0.065758455 0.03316099 0.157577718 0.070264595 0.063815324 0.059355351 0.080935668 0.066352642 0.089814594 0.187702366 0.118505509 0.088702561 0.055571 0.070971857 0.062690994 0.050647053 0.050984388 0.104352375 0.104341446 0.084477959 0.076700582 0.164602082 0.053410385 0.067730085 0.058982361 0.040587434 0.156826413 0.08909767 0.046101381 0.039977111 0.060373449 0.162163767 0.069437336 0.040785173 0.082272633 0.053934438 0.062787239 0.105002475 0.065986885 0.087821614 0.100957257 0.107663681 0.068736 0.051315094 0.078149909 0.085509735 0.056077978 0.053976288 0.051404256 0.065116159 0.051497367 0.055807696 0.06506981 0.039856566 0.180594943 0.071863476 0.067167458 0.066004527 0.07472893 0.24036317 0.100450617 0.066201636 0.060331039 0.034612478 0.142768018 0.107525921 0.057618938 0.090897239 0.115464191 0.116971037 0.041366952 0.037969378 0.049750471 0.032705893 0.067508729 0.067535562 0.086742413 0.07382711 0.041887915 0.055240015 0.067868382 0.097270981 0.100654481 0.06276017 0.062697472 0.060651917 0.084293036 0.068621941 0.051241179 0.04894521 0.04995701 0.040756007 0.036745331 0.090204666 0.058295774 0.072448913 0.075375791 0.254769528 0.058015193 0.087827226 0.061724742 0.082286585 0.083592502 0.050178839 0.079253154 0.07916887 0.059651823 0.078134874 0.08463322 0.077646349 0.068985255 0.062675113 0.092071185 0.096530786 0.080665559 0.090570343 0.063882556 0.068621998 0.067406447 0.050783968 0.20687844 0.146489772 0.130548462 0.113384894 0.068095843 0.078873825 0.118414604 0.072524137 0.025631189 0.016461702 0.048025112 0.078675531 0.087224804 0.052606124 0.048672403 0.042410412 0.091958148 0.038910675 0.06454171 0.089350267 0.120293141 0.107611239 0.125474492 0.062251643 0.10135855 0.100123093 0.07969422 2,3-Dihydroxybutanoic acid 0.019613747 0.031455861 0.024350694 0.023607759 0.021978873 0.034781694 0.030729075 0.027176246 0.024874059 0.031802305 0.026467546 0.02719504 0.027562869 0.017549155 0.021769047 0.014621322 0.025987078 0.016308601 0.020302757 0.026528967 0.027450853 0.015445986 0.01060876 0.021451398 0.021420553 0.0189126 0.019452295 0.027454131 0.065698757 0.023436212 0.01718719 0.061953443 0.02753331 0.109595474 0.021700802 0.033572944 0.01454703 0.020483313 0.020023996 0.042029859 0.014806404 0.041163663 0.017434024 0.019516394 0.023992881 0.031262175 0.019061565 0.028155004 0.025289783 0.022777913 0.045446911 0.027734429 0.038711085 0.016032565 0.017681588 0.053055147 0.042939952 0.028565295 0.017104146 0.014971745 0.043286672 0.040018338 0.019426189 0.023657389 0.00703013 0.035285219 0.051617289 0.021288856 0.023566246 0.023315296 0.026602188 0.024944367 0.015715455 0.022357235 0.023182317 0.037263812 0.033645347 0.013393004 0.022613413 0.018956231 0.016696509 0.028271002 0.014589621 0.029572349 0.023217399 0.050225201 0.017635269 0.035870592 0.050499184 0.020335677 0.01721373 0.016598831 0.025345782 0.020294893 0.027907002 0.030295302 0.026213478 0.021474908 0.021698305 0.019133513 0.004123833 0.023016567 0.02214095 0.021698172 0.04337837 0.016505821 0.024037218 0.020468322 0.022910824 0.021751637 0.0219863 0.029392433 0.021440249 0.037062427 0.037344785 0.02837597 0.017370399 0.023124295 0.038056526 0.03179044 0.01823596 0.0584388 0.019159654 0.034399707 0.014565868 0.025408843 0.048799123 0.054377075 0.029390579 0.035879917 0.031364442 0.028266612 0.044001179 0.066283075 0.038442014 0.025592525 0.026253529 0.013152753 0.042404694 0.022287741 0.032157813 0.021732706 0.026708937 0.028117025 0.020374341 0.037571291 0.056712315 0.027247895 0.020922604 0.022043712 0.038597067 0.039236615 0.028453936 0.031018997 0.027972494 0.016296768 0.018015462 0.030634557 0.052251515 0.026216319 0.018998881 0.030687575 0.028983213 0.035796361 0.030641082 0.021198064 0.044174586 0.024106226 0.020299713 0.034029925 0.024280865 0.0354992 0.043714584 0.022520939 0.023042974 0.02130754 0.023351391 0.010211836 0.021963786 0.031433947 0.032290472 0.027470387 0.037663584 0.036035182 0.020786125 0.02457414 0.023668056 0.0201992 0.027667901 0.028270538 0.032684884 0.026848088 0.034096913 0.063248254 0.032736975 0.033513738 0.021630636 0.047158902 0.033268673 0.027825539 0.038926617 0.02988156 0.034841216 0.028498754 0.02110796 0.019956821 0.019329517 0.054852953 0.027017241 0.02028939 0.0271172 0.023323523 0.026555593 0.025787618 N,N-Dimethyl-2-isopropoxyethylamine 0.19139468 0.205431661 0.143602193 0.217407488 0.200720702 0.172706028 0.126430464 0.185548905 0.242735796 0.183290092 0.234442569 0.272907617 0.144662234 0.118361095 0.133249737 0.119026697 0.179346399 0.183550338 0.139558409 0.177680769 0.126153905 0.167001564 0.132498009 0.152436735 0.117539551 0.168115374 0.220894043 0.228063136 0.143416945 0.201221027 0.171142514 0.234088929 0.160205386 0.247068796 0.127839196 0.16354095 0.111502007 0.224139601 0.227207229 0.375767034 0.144991403 0.158729165 0.105258041 0.098401551 0.139215963 0.150908053 0.146069005 0.136624058 0.158132239 0.209812497 0.184968234 0.26041602 0.286362063 0.098718032 0.155319615 0.123854177 0.364249962 0.152968989 0.157239157 0.185487252 0.2203498 0.131102723 0.115621025 0.159869544 0.103002356 0.201017611 0.213842923 0.11247074 0.152697587 0.175257265 0.129846177 0.149282551 0.190124041 0.134446248 0.139740914 0.150946905 0.126770698 0.200243022 0.179618453 0.276399507 0.137882534 0.131722228 0.156786464 0.171368441 0.12199786 0.161511111 0.14080178 0.262282224 0.14343433 0.15122134 0.152807611 0.224995965 0.147477345 0.112712083 0.169206124 0.205079431 0.171055975 0.142981731 0.13224836 0.099708842 0.034766793 0.133483742 0.167682768 0.164061119 0.218887391 0.27554889 0.177466807 0.23919425 0.117574289 0.222926372 0.151175454 0.183282018 0.195918659 0.164068291 0.17461244 0.124175173 0.140663435 0.230365294 0.134307464 0.22040892 0.22100884 0.200936749 0.222851854 0.223604543 0.368344928 0.213958221 0.186223936 0.202953182 0.205096049 0.188272941 0.229995701 0.186346599 0.283639055 0.132698346 0.18102637 0.143511772 0.165009828 0.168439451 0.174234996 0.143062466 0.213039241 0.181991795 0.12365268 0.156506499 0.188457843 0.143863281 0.373569849 0.192719477 0.242808688 0.213803768 0.153309601 0.140734755 0.327374416 0.215504494 0.239978873 0.158484722 0.23135285 0.062973035 0.205357037 0.213767981 0.184009941 0.208948253 0.168176242 0.183829031 0.186060701 0.256559856 0.143894516 0.186539829 0.154619598 0.18244934 0.2191258 0.17047039 0.336327259 0.156712602 0.137292148 0.143752908 0.147844058 0.084595647 0.163930211 0.138734167 0.109769069 0.1754537 0.144097346 0.141565787 0.141236601 0.136159646 0.126610838 0.113899695 0.121681772 0.147069754 0.229072911 0.107290725 0.236490591 0.213212082 0.182804397 0.312927689 0.18886737 0.23436797 0.212257992 0.138284545 0.125569765 0.189079095 0.147605459 0.125979331 0.223056121 0.157974959 0.225472121 0.270877145 0.210871741 0.220521719 0.189400389 0.194291971 0.205993215 0.187265751 1-hydroxy-1-cyclohexen 0.028880994 0.026345764 0.023330003 0.02411002 0.024512209 0.027459563 0.028899805 0.024098457 0.022395088 0.032336062 0.028003873 0.026093513 0.02821638 0.032209864 0.032248669 0.022037881 0.025450614 0.032396709 0.024959251 0.025715145 0.024968949 0.027722292 0.021619326 0.028137994 0.027353936 0.026209526 0.022152892 0.029947778 0.027401933 0.023708463 0.025718414 0.034253303 0.026616686 0.033726868 0.02756357 0.026650886 0.026068655 0.022203659 0.033183511 0.023886563 0.032179058 0.027663029 0.027296684 0.026144555 0.026952755 0.025584563 0.026414111 0.034592003 0.024302529 0.027592098 0.027629459 0.034614792 0.021724894 0.020535779 0.030701364 0.028513987 0.03533631 0.023919128 0.024921796 0.031229125 0.030524438 0.024963435 0.021181618 0.022973659 0.024489934 0.026296273 0.030943838 0.028368609 0.018048586 0.025009586 0.026285356 0.025305925 0.020167122 0.024943023 0.021602758 0.023931007 0.029115638 0.02653392 0.024490168 0.023858939 0.02449746 0.020709004 0.028769403 0.028769194 0.027835402 0.028115825 0.024954039 0.03235946 0.030282191 0.023034082 0.025350086 0.046059828 0.029199822 0.026004388 0.026861002 0.029690608 0.023738159 0.018018485 0.02900401 0.023059397 0.007421679 0.024372255 0.025878409 0.022942795 0.023753408 0.02516111 0.027154051 0.02610412 0.024397592 0.026839885 0.029325468 0.025366327 0.032223415 0.024393345 0.026054044 0.022949864 0.025095982 0.028798521 0.027329085 0.026706747 0.021904445 0.035054204 0.02546023 0.027024173 0.026297542 0.022507501 0.031269408 0.033816991 0.031727507 0.022307938 0.02537929 0.027762745 0.036173258 0.025462599 0.033750413 0.025439264 0.026805638 0.020059845 0.028045714 0.027350556 0.023091264 0.026259725 0.025627476 0.027663976 0.024874704 0.030444095 0.028444166 0.025312007 0.027866974 0.030587971 0.02919745 0.031552274 0.023644064 0.034670573 0.026820731 0.022576651 0.018845924 0.014013151 0.027188652 0.027315448 0.028443547 0.023825487 0.02149963 0.023733902 0.028067958 0.024490367 0.022795213 0.02954723 0.020554325 0.024191574 0.02762988 0.022691463 0.021535687 0.032857335 0.026582487 0.022310785 0.025189471 0.02270793 0.027365263 0.025573756 0.024825681 0.025747605 0.021279616 0.031384781 0.025613221 0.029846615 0.031969763 0.023550591 0.023973727 0.032918913 0.026773945 0.023936331 0.029393858 0.019832744 0.026619466 0.029935158 0.026474763 0.028599941 0.027313137 0.025152918 0.02268719 0.030841814 0.022654837 0.025870692 0.027421774 0.028047192 0.027306604 0.025851811 0.029124174 0.027123865 0.023444881 0.032895823 0.023431428 0.029508081 3,6-Dioxa-2,7-disilaoctane, 2,2,4,7,7-pentamethyl- 0.149862883 0.207328447 0.212937047 0.13928657 1.284515981 0.132446771 0.091485762 0.44810624 0.107627759 1.772017259 0.088563315 0.13434826 0.615736835 0.201444784 0.183313082 0.085690354 0.079516198 0.23957576 0.128954841 0.117555265 0.138500193 0.16887573 0.197646534 0.065263568 0.129519786 0.069485814 0.091260358 0.158504142 0.365381845 0.15031855 0.383370758 0.436006672 2.30700812 0.09160632 0.091428035 0.102166948 0.10739458 0.101697008 0.127660485 0.091278694 0.105516497 0.187402952 0.147957916 0.108865034 2.349589543 0.293642875 0.113930664 0.242709788 0.099434337 0.13750147 0.143281259 2.573483783 0.105856034 0.105232359 0.244239761 0.097349423 0.155749694 0.284985294 0.141807967 0.167880645 0.160419978 0.166917019 0.410063007 0.231602714 0.095557414 0.261435861 0.130020968 0.085339619 0.063031756 1.875681148 0.105983412 0.109803403 0.238073295 0.080758759 0.14225111 0.095952979 0.786009138 1.740912845 0.082215736 0.09331955 0.129098346 0.415443555 0.119040027 0.148577148 0.233625373 0.478332944 0.119096173 0.143529048 0.123371127 0.216558261 0.119761726 0.181653177 1.068224263 1.276601002 0.083805899 0.173413523 0.132080826 0.089760299 0.847918758 0.069492727 0.029854333 0.723558647 0.143218902 0.333112873 0.112367704 0.941756231 0.073580699 0.139670993 0.22765588 0.154721098 0.107530878 0.113841573 0.206763518 0.161417747 0.068329812 0.183144518 0.264917995 0.350332785 0.165547886 0.198128772 0.140190011 1.262724995 0.081365176 0.590376134 0.170519002 0.125434467 0.62851054 1.221448257 0.127024587 0.135837985 0.184915362 0.133160984 0.122593687 0.087989756 0.101684529 0.101829746 0.085452933 0.082685502 0.141951068 0.433451925 0.188494212 0.164981921 0.073518535 0.138990243 0.102824529 0.232350601 0.549110479 0.182430065 0.261030973 0.127477963 0.112542828 0.218410268 0.098356408 0.14807635 0.732294564 0.098580463 0.062256522 0.0459401 0.079571308 0.534840951 0.964794292 0.181851892 0.232863628 0.25015367 0.118249349 0.449412876 0.088194251 0.751913042 0.383917154 0.343576853 0.202388461 0.179479036 0.099608947 0.108292855 0.106615967 0.104906683 0.155924859 0.072259441 0.115014192 0.07701023 0.086533992 0.171290102 0.068281359 0.136094611 0.115019437 0.319927473 0.168388071 0.09942518 0.139086823 2.23663049 0.176003571 6.387303258 2.715124684 0.279893036 6.816530944 2.032673596 2.453958923 0.157285721 0.131116452 0.105290247 0.118595808 2.277643247 0.417525174 0.137717071 0.186003447 0.172130412 0.137676259 0.240952134 0.090842108 0.120734466 1.750362099 0.121117205 0.253689465 0.2240553 á-Amino isobutyric acid 0.029942535 0.019826507 0.043100915 0.032176773 0.024478384 0.01787332 0.032177319 0.030423209 0.022664721 0.029340248 0.02564943 0.041155158 0.043035693 0.029241264 0.030849628 0.02444095 0.017810026 0.033272954 0.027136805 0.027073327 0.029629947 0.028269714 0.013573674 0.031193692 0.035104024 0.02715186 0.01409894 0.037366393 0.030913501 0.034865806 0.033077539 0.060225038 0.0306593 0.055110121 0.024244825 0.041409927 0.031857459 0.031372062 0.032014316 0.029846861 0.020468918 0.035415089 0.030812214 0.025246968 0.040817826 0.0331201 0.043101637 0.028803251 0.032694178 0.017495815 0.028449961 0.037195753 0.025842013 0.028175767 0.035857665 0.02543493 0.022511439 0.030747401 0.027043759 0.048441895 0.045304719 0.029195218 0.020004529 0.0287156 0.021264538 0.03048426 0.0346915 0.0214065 0.013750117 0.029734469 0.033108727 0.027673119 0.033638083 0.023531039 0.02718006 0.040712507 0.033454004 0.030968066 0.020150737 0.029524507 0.048295181 0.030638739 0.021287382 0.04440409 0.033325352 0.033405475 0.044226315 0.036249366 0.051541879 0.020167902 0.030669478 0.030377942 0.026135376 0.040928016 0.039770128 0.027094673 0.021506755 0.034357506 0.029406639 0.031152808 0.00159525 0.027659716 0.036859991 0.035940914 0.028658147 0.0404364 0.030207589 0.032919443 0.033072596 0.02803735 0.038076217 0.026396071 0.029476344 0.02342819 0.045377984 0.033437725 0.054232405 0.041912532 0.030612491 0.044553563 0.014200548 0.051649248 0.023225445 0.036828956 0.035804728 0.03133043 0.052464974 0.045730056 0.031988154 0.028953137 0.019194548 0.046163144 0.047794164 0.035472275 0.030173769 0.032185948 0.037860151 0.017494149 0.030167727 0.032017125 0.049729548 0.032376919 0.025092353 0.031305614 0.041209747 0.027422296 0.020100706 0.034538627 0.031319811 0.039100471 0.047432135 0.026862327 0.023168333 0.029803813 0.042585384 0.03629935 0.017363357 0.021324728 0.026911362 0.020749309 0.0275775 0.038875332 0.031190512 0.031764272 0.045621087 0.027491484 0.04026783 0.040788991 0.029141568 0.040200372 0.020581476 0.03418692 0.025789211 0.033954532 0.038567342 0.039127282 0.038596503 0.020678902 0.027520713 0.038026696 0.036174889 0.04987086 0.039032037 0.032305427 0.020646426 0.023201684 0.026075295 0.025762924 0.031147631 0.025574883 0.023798339 0.021034115 0.023549721 0.049842968 0.019792654 0.031049598 0.016639096 0.019638396 0.021778713 0.029002011 0.01302473 0.027453955 0.024943936 0.023472671 0.027911019 0.023722623 0.04104332 0.036078868 0.026938296 0.025484547 0.02638681 0.030356108 0.04470929 0.03181804 D-Glucuronic acid 0.00388279 0.004647794 0.008211485 0.006249615 0.006685058 0.009539999 0.004115928 0.005775082 0.018413724 0.007804905 0.002880463 0.007177989 0.007148109 0.004230239 0.005584865 0.003793455 0.008452856 0.015599004 0.004564623 0.006403654 0.006326738 0.239503726 0.005379947 0.006903687 0.0060086 0.005025503 0.00417598 0.013687583 0.004745145 0.00881795 0.003860327 0.014609523 0.00724901 0.00843454 0.005081148 0.010808661 0.009284615 0.019420926 0.033506162 0.00941323 0.049753785 0.007559435 0.004866866 0.005493644 0.017686111 0.01194312 0.011726206 0.009557059 0.0089396 0.007871027 0.022218348 0.008610723 0.020917577 0.005240845 0.013056154 0.004608613 0.016942915 0.013247787 0.006625987 0.009577048 0.015978826 0.01053975 0.008224128 0.010342852 0.003677596 0.08633468 0.007799282 0.009010308 0.006548831 0.010489786 0.005175097 0.005191135 0.004818622 0.005933926 0.007138827 0.00471042 0.008333026 0.005729457 0.003656212 0.005684635 0.009261964 0.005510994 0.004490351 0.006378533 0.004854555 0.005233799 0.005454841 0.010493852 0.020791915 0.006597933 0.006596835 0.006046736 0.005758932 0.008013461 0.006221847 0.006049122 0.005983043 0.008219341 0.008029281 0.004154044 0.001390694 0.006205574 0.013690401 0.006751472 0.01757425 0.007540478 0.004288022 0.01002078 0.002578186 0.007002695 0.007635277 0.010072752 0.006197508 0.004469384 0.005743693 0.004868408 0.009353438 0.008073631 0.011159632 0.007958622 0.005733968 0.016888118 0.008175853 0.005545959 0.009180248 0.006498625 0.006661898 0.01530974 0.008754223 0.010810322 0.006776215 0.016000725 0.043964967 0.007159393 0.009653685 0.008234816 0.007575637 0.00710422 0.012779466 0.007737217 0.01023704 0.007481657 0.007240855 0.006898411 0.005710475 0.006335591 0.000186981 0.006795901 0.007639444 0.00746297 0.009826002 0.007039462 0.009735304 0.039514204 0.007621775 0.005890059 0.005631894 0.001765172 0.013360168 0.00986464 0.010427064 0.008293992 0.012063345 0.010612998 0.006555341 0.00793489 0.005910741 0.007290665 0.012658886 0.009580796 0.00957509 0.005348139 0.031820697 0.006552096 0.007963912 0.006832008 0.015906177 0.006475343 0.007740834 0.003984679 0.008544945 0.008933179 0.007901098 0.011501716 0.006923968 0.009757843 0.004254158 0.004735608 0.00561874 0.006500833 0.010972243 0.009855961 0.016170923 0.011463434 0.010119535 0.015469847 0.007066829 0.013672967 0.010864865 0.006513308 0.075103835 0.01258044 0.011924584 0.010461013 0.007101743 0.008934297 0.005570063 0.007354046 0.015680776 0.006514461 0.006538752 0.005450056 0.004938112 0.012645337 à-Hydroxyisobutyric acid 0.375529153 0.72000455 0.703559937 0.42383582 0.461210357 1.106099319 1.009974177 0.912639734 1.059790621 0.84019623 0.672023196 1.304013198 1.195064366 0.949352212 0.654178802 0.521122075 1.533566972 0.362651852 0.831348837 0.511064016 0.628102737 0.593437619 0.416146377 0.530753567 0.651208518 0.606019372 0.724983676 0.769951295 1.535031285 0.50455965 0.972775245 1.027481679 0.565551237 2.546110218 0.495480118 0.565689758 0.361565535 0.588167508 1.255912001 1.938649733 0.450507365 1.109294811 0.502064438 0.576717853 0.449319764 0.749817241 0.746069583 0.650907629 0.434514494 0.75354558 0.92683234 0.741165282 1.233951485 0.442107782 0.610371613 3.243656489 1.257658699 0.525529535 0.682089201 0.091196396 0.929454485 1.194076712 0.384272811 0.578373252 0.386100194 0.822380578 1.40829059 0.255026755 1.043702052 0.385767296 1.16963722 0.670178101 0.581220347 0.502913442 0.623326558 1.16544266 1.017576317 1.426157738 0.416883294 0.486065951 0.535447903 0.597359192 0.404912071 1.013587375 0.646332829 0.907447539 1.272929497 1.157920242 0.991654986 1.389029112 0.535530247 0.49422693 0.81583747 0.466718705 0.796184028 1.107970168 0.381129498 0.555877647 0.157626049 0.953627072 0.084123684 0.855618839 1.049144393 0.758558437 1.430771947 0.488177315 1.298954253 0.552712283 0.506054481 0.914868088 0.867377877 0.46014902 0.700117192 0.590009117 1.568170695 0.721143287 0.547084137 0.985351947 0.660999098 0.6681022 0.914515045 1.421743279 0.989139545 1.388168775 0.435535415 0.696540748 0.562572249 1.506716379 1.126946383 0.612337648 0.530607989 0.546744622 1.712434217 2.278792622 0.914302695 1.255965661 0.781549726 0.851759395 1.398656195 0.931104886 1.148728735 0.96151437 0.279238327 1.384579297 0.404418721 0.725577656 0.97961321 1.275888635 0.705858597 0.607583581 1.949127884 1.895918382 0.592489195 0.688688444 0.459432812 0.372053353 0.432530319 0.462680701 1.374640096 0.718889806 0.444476259 0.936610023 0.933971663 0.639480534 1.219105958 0.51291058 1.710774996 0.406036871 0.504393487 0.698181993 0.718637402 0.271445971 1.490905032 1.017908337 1.120509537 0.943747674 0.312172802 1.184674619 1.150459882 0.712531724 0.418021775 1.197946621 0.905274777 0.444572213 0.396944279 0.870053298 0.835569077 0.475114595 0.704652147 0.656827364 1.207775263 0.598123263 0.587928959 1.325015707 0.616059612 0.609854611 0.39861646 0.702086437 0.906223589 0.816761118 0.761109783 1.242235161 0.640552901 0.690102991 0.708571217 0.487596276 0.505273811 1.613378291 0.397392018 0.639595109 0.79518607 0.483165529 1.391235057 1.40676933 L-Leucine 2.439328008 2.357825075 2.095918789 3.493105633 4.596897846 2.01771259 3.707926354 4.513976671 2.220038703 2.772221457 2.949024687 2.90588058 2.960973538 3.027295663 1.91802434 2.49517252 3.700086512 1.898428867 2.386948524 4.385431027 3.138771682 2.53635488 3.36446369 2.693470291 4.505138897 2.286532875 1.693862509 2.634918202 1.452300178 2.474916152 3.184702895 3.427675422 2.36341665 3.673372061 2.383980217 1.583340725 1.68539474 2.278237775 4.034859751 3.552888512 2.266810146 5.413942365 2.546132365 2.34892124 2.734242236 1.724795364 2.789893497 1.513817882 3.014263717 3.146899607 2.374802004 3.32147081 3.327647949 1.986443738 2.666091366 3.396043848 2.83648547 3.926619463 3.99300011 2.740979078 3.814196671 2.522403124 2.154825135 4.187165086 2.326876171 4.538352922 2.890590642 1.742099913 1.728819838 2.81466736 2.285671452 3.21583321 4.912036029 2.117968348 2.795345663 4.962334217 2.41123867 3.198733241 2.161907538 2.392438299 2.590958163 1.815934187 1.332798631 3.813718737 3.302282913 3.649004711 3.438842897 3.76954217 2.804186631 5.259802744 3.128702389 4.843559524 3.26764971 2.136128925 2.643536097 2.932218065 1.68332602 2.543545584 1.244725446 3.073631915 0.375810047 2.536525919 3.651377278 2.138201125 2.795644155 6.571448862 2.975330969 2.47798434 2.385165414 2.246036074 4.129284628 2.261146526 2.503171525 1.87108521 3.700822691 1.815647554 2.148730411 2.911171165 1.741670959 2.246596518 2.976443074 4.612446275 4.129747431 6.192489704 1.579137112 2.256154055 1.765186354 2.801269203 3.514584272 2.155894305 3.317593494 2.5777968 3.668412895 2.359285101 2.713743692 2.699686686 1.952723224 2.632845032 2.988486305 2.690761909 2.850011435 3.678288493 1.162529891 2.215928436 2.903867326 1.901984325 3.286868008 5.544190688 2.614073338 4.129119935 4.111181592 3.796399372 1.722110602 3.321881303 2.672769014 2.523031449 3.551966363 1.177388965 2.614388108 3.103388566 2.172116727 4.599146057 2.566427773 1.97483256 2.461248608 4.736502215 2.63733424 2.181947917 1.469334594 2.893286732 2.013819991 1.990135242 3.295671088 1.797660995 3.682860983 2.662145805 1.882742926 4.186382216 3.849606389 1.75129555 1.870891819 3.297827014 2.964319194 2.09333288 3.05323394 3.312153558 1.925745311 2.019468163 1.586027291 1.63993271 2.237639909 3.773546035 3.309455346 3.373243283 3.585551157 3.120740316 2.807787495 3.136153303 3.499898456 2.23977577 1.513341843 3.356377656 5.505658929 3.997772985 2.353296271 2.862619966 4.780106309 2.420767819 1.560344657 4.239814459 3.373322888 3.007816643 3.596117467 3.974301602 Cyclohexyloxy 0.769258185 0.613077436 0.629494929 0.655511883 0.641013452 0.664101721 0.650723774 0.616954113 0.575902433 0.859831161 0.742115597 0.701611534 0.731960683 0.728634796 0.886266069 0.565187785 0.615926757 0.784390469 0.683452257 0.647831357 0.605982285 0.643427739 0.526179976 0.634976893 0.73012401 0.609466087 0.522104222 0.804221519 0.604199756 0.604825873 0.630361151 0.894609507 0.731306658 0.789107305 0.643227855 0.712137628 0.720538937 0.61815932 0.803008751 0.565061493 0.803383418 0.733400532 0.691883494 0.59439493 0.698836156 0.667557447 0.664710694 0.83412216 0.547544143 0.586233033 0.679716026 0.993746855 0.636397355 0.518515884 0.728478118 0.666760976 0.885975016 0.597011155 0.639231631 0.810262779 0.801866422 0.635576199 0.509920366 0.5892128 0.601004747 0.668185351 0.773761085 0.64206233 0.402267165 0.655815228 0.695810313 0.594537032 0.527510186 0.624601522 0.55256148 0.578978227 0.710626112 0.705923103 0.643002915 0.593881374 0.655104248 0.49045109 0.675178595 0.696671926 0.655911696 0.719795045 0.634813614 0.743052561 0.794450032 0.538294783 0.586659242 1.162823623 0.662108077 0.657816377 0.701370333 0.700743694 0.568510681 0.441786685 0.764951216 0.547702751 0.185213256 0.538292639 0.666728835 0.515540714 0.59222982 0.636221125 0.64471285 0.653897531 0.594753278 0.637338545 0.736200657 0.588344554 0.747099089 0.580926293 0.578781865 0.516971741 0.668801495 0.665207778 0.648021681 0.650896547 0.502737596 1.011694273 0.614812499 0.657958507 0.684534363 0.569213288 0.816468211 0.834709559 0.745812227 0.515715387 0.58330574 0.7149945 0.879069779 0.578426735 0.80293648 0.692201661 0.615794169 0.502955298 0.676484239 0.658636039 0.612827041 0.639356025 0.561811355 0.709403081 0.609331615 0.718863253 0.67238476 0.592213834 0.68567544 0.691668327 0.743680145 0.77192949 0.553739774 0.836722736 0.702951228 0.570063033 0.450823133 0.346067142 0.626354741 0.704581587 0.668054547 0.644687786 0.547245315 0.58748028 0.760439535 0.619249328 0.535304144 0.734455045 0.506223299 0.641455482 0.641034668 0.574453255 0.55193691 0.832877674 0.655865069 0.562833617 0.687526301 0.504967828 0.66879902 0.682130353 0.617666377 0.685830235 0.524635566 0.760374851 0.598320608 0.63611967 0.933130223 0.648040201 0.6651332 0.812203217 0.689302755 0.602372043 0.70367761 0.561505686 0.664854639 0.909659308 0.588873612 0.646363179 0.704791091 0.636085681 0.531571517 0.839935905 0.531158254 0.681843377 0.753277959 0.698794836 0.71431574 0.697328546 0.757214604 0.711954277 0.623054692 0.867033972 0.606377974 0.728040995 Creatine 0.303353837 0.190682013 0.106304445 0.245153432 0.330206235 0.249772947 0.244832717 0.273542222 0.267413703 0.12456747 0.283788362 0.162665556 0.239000498 0.135702698 0.27060939 0.207358652 0.488055076 0.245095641 0.345619728 0.208351962 0.240572564 0.218609696 0.222172753 0.153351891 0.409125106 0.145987411 0.361403962 0.49268527 0.220905961 0.273114425 0.28449343 0.527987446 0.23219298 0.313194122 0.284048591 0.151702193 0.276794174 0.310638219 0.195344547 0.054749778 0.20679943 0.252898639 0.310348926 0.308591636 0.242740956 0.326825113 0.041792404 0.251591869 0.073008528 0.403098748 0.262820138 0.345876946 0.266991621 0.193675696 0.502640251 0.273789533 0.171347872 0.408308853 0.245744153 0.344917979 0.198162452 0.27742033 0.166111934 0.408083129 0.055978026 0.538391735 0.271723878 0.208932148 0.382096183 0.400091251 0.179716674 0.261056623 0.312451703 0.190758861 0.193616486 0.368237054 0.303886734 0.085513579 0.421579079 0.224937841 0.355305729 0.188783603 0.131166274 0.203247017 0.389522413 0.30046588 0.202756073 0.210153843 0.285221696 0.142757098 0.511834995 0.427638835 0.181845891 0.225897516 0.225753516 0.208448927 0.156112935 0.225638096 0.059728909 0.30485938 0.03327301 0.181043135 0.175733001 0.148258832 0.2499241 0.46638874 0.397135141 0.242020832 0.239506896 0.11628046 0.616549721 0.206154482 0.097218004 0.135453888 0.28584019 0.156215138 0.247086167 0.195463702 0.347788514 0.27884167 0.252415302 0.33671718 0.291616379 0.281986355 0.130367234 0.123530517 0.148364363 0.293963281 0.391119662 0.286503808 0.21655535 0.229018038 0.756873109 0.198248357 0.116359572 0.13478736 0.332217512 0.187134229 0.432427451 0.282081782 0.311802743 0.322080009 0.156803452 0.219826254 0.145966567 0.133616228 0.395318001 0.580435346 0.250949097 0.298173609 0.428517735 0.619967476 0.44799068 0.176935827 0.181440698 0.177697442 0.089860466 0.129180947 0.170799141 0.217409755 0.134466889 0.247914163 0.161586368 0.228319785 0.241160366 0.128124712 0.360689948 0.577787466 0.169299493 0.190005301 0.340301177 0.166520031 0.302225755 0.269106006 0.285302733 0.187267753 0.09241583 0.388206303 0.213099859 0.363152392 0.126002056 0.489299785 0.451149826 0.28853458 0.204146133 0.089815672 0.132277323 0.158267191 0.063407641 0.137340873 0.184770972 0.551115984 0.298543632 0.14356196 0.673468543 0.236583553 0.044154087 0.27424007 0.133899969 0.20717012 0.12037713 0.293531132 0.33454713 0.337951012 0.080275896 0.130046633 0.262202987 0.217985252 0.209692167 0.055724369 0.241986902 0.36403419 0.183244694 0.152994014 Elaidic acid 0.004448686 0.003061111 0.0294034 0.269921974 0.002296782 0.023087571 0.005317198 0.003066783 0.027485072 0.004150871 0.002028855 0.061093608 0.114095883 0.016331156 0.010386082 0.006671365 0.004200785 0.002174842 0.004098378 0.001107494 0.000711333 0.002214138 0.003149737 0.012524271 0.0510023 0.003600185 0.002460159 0.001335379 0.004583672 0.012257123 0.002971423 0.006976982 0.001657019 0.043795641 0.010737179 0.017298495 0.018178202 0.020352864 0.02987264 0.018457696 0.009153715 0.017316921 0.167612145 0.003755441 0.014494622 0.004988251 0.143777463 0.003158924 0.009905406 0.00606104 0.031943161 0.006007961 0.010642746 0.005448144 0.00954285 0.038498036 0.011415658 0.03671205 0.002653256 0.004241784 0.019904407 0.018912877 0.008828797 0.004636948 0.005556855 0.004648657 0.011223827 0.007183267 0.032706558 0.007939683 0.010359854 0.003287007 0.119413343 0.001573761 0.012026082 0.00144425 0.013582591 0.022489087 0.004695484 0.006021443 0.007050073 0.002912264 0.011579582 0.057447215 0.008382029 0.005576151 0.011053001 0.001362767 0.015522417 0.001242862 0.01673649 0.003732054 0.001418556 0.008744652 0.012238578 0.013039533 0.009752744 0.002565722 0.007231477 0.016601814 0.003126622 0.01925842 0.097539893 0.006834707 0.119146041 0.002289933 0.015246692 0.002293185 0.016488596 0.020591031 0.002398365 0.002309374 0.02040886 0.013205538 0.024743671 0.016874388 0.025469184 0.015021476 0.004669693 0.003853824 0.003408533 0.048677438 0.014724929 0.001541142 0.001999555 0.005694542 0.003592288 0.045427615 0.004824499 0.02143901 0.002027275 0.032302033 0.029671726 0.014921734 0.012136976 0.016051486 0.007894327 0.006062277 0.00868568 0.017069004 0.015792823 0.001838565 0.017617398 0.016478057 0.015198511 0.006617273 0.00525904 0.030502575 0.009898112 0.002417231 0.033363029 0.035965786 0.002665203 0.015305293 0.008156551 0.004264788 0.000748443 0.004503033 0.015474824 0.00950044 0.012655693 0.01499024 0.007112641 0.004138926 0.090943768 0.002969193 0.015030078 0.001844545 0.023611599 0.002700087 0.018019677 0.011206784 0.011812945 0.004484354 0.013358701 0.029567056 0.023618891 0.015308193 0.014375176 0.024405942 0.004333912 0.03843881 0.03451858 0.002228361 0.005643115 0.018609138 0.009225667 0.013229933 0.021588347 0.014325343 0.018430926 0.028758875 0.045047144 0.049201793 0.024908784 0.057883601 0.006782701 0.066806787 0.008290032 0.01519594 0.013128087 0.019683705 0.004788511 0.000821431 0.002306177 0.004403448 0.135562738 0.013511178 0.004215829 0.003884613 0.006653619 0.001607685 0.186109274 0.020558469 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name HMDB_ID Asparagine HMDB00168 Hypotaurine HMDB00965 5-Oxoproline HMDB00267 Cysteine HMDB00574 Aspartate HMDB00191 Glycerolphosphate HMDB00126 Glutamate HMDB03339 Arachidonic acid Cystine HMDB00192 Glyoxylic acid Lactate HMDB00190 Isoleucine HMDB00172 a-ketoglutarate Pyruvate HMDB00243 Malate HMDB00156 N-Acetylneuraminic acid Pseudo uridine 5-Hydroxy-tryptophan HMDB00472 3-amino-2-Piperidone HMDB00323 Succinate HMDB00254 Myristoleic acid Octadecanoic acid Uric acid Caproic acid Parabanic acid Glyceric acid, TMS 3-hydroxyoxyisovaleric acid 2,4-bishydroxybutanoic acid Pyrrole-2-carboxylic acid Picolinic acid L-methionine HMDB00696 Octanoic acid Cholesterol HMDB00067 Nicotinic acid glycol HMDB01881 Benzoic acid Palmitoleic acid 2-aminobutyric acid Threonine HMDB00167 2-oxo-4-methylvaleric acid Glycine HMDB00123 d-Galactose HMDB00143 2-methyl-butyric acid N-Acetyl glucosamine Threitol HMDB04136 D-Fructose HMDB00660 Sorbose HMDB01266 Oxanilic acid Decanoic acid 3-methyl-2-oxo-butanoic acid 3-Phosphoglyceric acid, TMS N-acetyl-glycine HMDB00532 Hexadecanoic acid Citric acid Arabinofuranose HMDB12325 Urea HMDB00294 2,3'-Dipyridyl NA Phenylalanine HMDB00159 1H-Indole-3-acetic acid 2-Butenedioic acid Ornithine HMDB00214 3-hydroxypyridine NA Xylitol HMDB02917 3-Hydroxybutyric acid 3,4-bishydroxybutanoic acid cis-3-Hexenyllactate HMDB36213 Nonanoic acid 2-amino-6-methylaminohexanoic acid 2-oxo-3-methyl-pentanoic acid Methylcysteine HMDB02108 d-Xylose HMDB00098 L-Threonic acid Mannitol HMDB00765 Glucopyranose HMDB00122 Aminomalonic acid 3, 4 dehydroproline Glycerol HMDB00131 L-Lysine HMDB00182 à-Aminoadipic acid 2,2'-Bipyridine NA Serine HMDB00187 Inositol HMDB00211 Galactonic acid Proline HMDB00162 4-Deoxypyridoxine NA Cadaverine HMDB02322 Erythrose HMDB02649 Glyceraldehyde HMDB01051 Alloisoleucine HMDB00557 Myo-Inositol HMDB00211 Nicotine HMDB01934 2-Piperidinecarboxylic acid Myristic acid Heneicosanoic acid sarcosine HMDB00271 N-formyl-glycine NA 9,12-Octadecadienoic acid (Z,Z)- Cyclohexanone HMDB03315 L-Homoserine HMDB00719 Anthranilic acid Beta-alanine HMDB00056 Ribitol HMDB00508 Oxalic acid 2-hydroxypyridine HMDB13751 D-Ribofuranose HMDB00283 Olic acid Gluticol HMDB00247 L-Ornithine HMDB00214 Hydroxycarbamic acid Alanine HMDB00161 L-Tyrosine HMDB00158 1,2-dimethylpropanol HMDB33777 Maleimide NA 3-Aminosalicylic acid, TMS 6-deoxy-mannose HMDB00849 L-Tryptophan HMDB00929 Dodecanoic acid 2,3-Dihydroxybutanoic acid N,N-Dimethyl-2-isopropoxyethylamine NA 1-hydroxy-1-cyclohexen NA 3,6-Dioxa-2,7-disilaoctane, 2,2,4,7,7-pentamethyl- á-Amino isobutyric acid D-Glucuronic acid à-Hydroxyisobutyric acid L-Leucine HMDB00687 Cyclohexyloxy NA Creatine HMDB00064 Elaidic acid METABOLITES_END #END