#METABOLOMICS WORKBENCH jravilap_20230209_150436 DATATRACK_ID:3731 STUDY_ID:ST002471 ANALYSIS_ID:AN004034 PROJECT_ID:PR001596 VERSION 1 CREATED_ON February 10, 2023, 8:01 am #PROJECT PR:PROJECT_TITLE Linking bacterial metabolites to disease-associated microbes to uncover PR:PROJECT_TITLE mechanisms of host-microbial interactions in intestinal inflammation PR:PROJECT_TYPE Metabolomic profiling of human fecal and plasma samples and bacterial strains PR:PROJECT_SUMMARY Understanding the role of the gut microbiome in inflammatory and autoimmune PR:PROJECT_SUMMARY diseases requires the identification of microbial molecular effectors and their PR:PROJECT_SUMMARY link to host pathophysiology. Here, we present a framework to identify and PR:PROJECT_SUMMARY characterize novel microbial metabolites in patient samples and to directly link PR:PROJECT_SUMMARY their production to disease-associated microbes. We applied this approach to PR:PROJECT_SUMMARY investigate the spectrum of disease severity and treatment response in PR:PROJECT_SUMMARY ulcerative colitis (UC) using longitudinal metabolite and strain profiles PR:PROJECT_SUMMARY combined with paired plasma profiles. PR:INSTITUTE Broad Institute of MIT and Harvard PR:LAST_NAME Xavier PR:FIRST_NAME Ramnik PR:ADDRESS 415 Main Street PR:EMAIL rxavier@broadinstitute.org PR:PHONE 6177147080 PR:CONTRIBUTORS Melanie Schirmer, Martin Strazar, Julian Avila-Pacheco, Daniel F. Rojas-Tapias, PR:CONTRIBUTORS Eric Brown, Emily Temple, Subra Kugathasan, Zach Costliow, Hera Vlamakis, Jeff PR:CONTRIBUTORS Hyams, Lee Denson, Clary B. Clish, Ramnik J. Xavier #STUDY ST:STUDY_TITLE Linking bacterial metabolites to disease-associated microbes to uncover ST:STUDY_TITLE mechanisms of host-microbial interactions in intestinal inflammation. Human ST:STUDY_TITLE stool profiling ST:STUDY_SUMMARY Understanding the role of the gut microbiome in inflammatory and autoimmune ST:STUDY_SUMMARY diseases requires the identification of microbial molecular effectors and their ST:STUDY_SUMMARY link to host pathophysiology. Here, we present a framework to identify and ST:STUDY_SUMMARY characterize novel microbial metabolites in patient samples and to directly link ST:STUDY_SUMMARY their production to disease-associated microbes. We applied this approach to ST:STUDY_SUMMARY investigate the spectrum of disease severity and treatment response in ST:STUDY_SUMMARY ulcerative colitis (UC) using longitudinal metabolite and strain profiles ST:STUDY_SUMMARY combined with paired plasma profiles. ST:INSTITUTE Broad Institute of MIT and Harvard ST:LAST_NAME Xavier ST:FIRST_NAME Ramnik ST:ADDRESS 415 Main Street ST:EMAIL rxavier@broadinstitute.org ST:PHONE 617717084 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - STL10022 collectionWeek:0 | PUCAI_C3_WKall:moderate/severe plasma_sample_names=10022; age=12; gender=F; race=White; INITIAL_TRT_C4=CS-IV; antibiotics=No; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=NA; RAW_FILE_NAME=0127_XAV_PROTECT2_CN-STL10022.raw RAW_FILE_NAME=0127_XAV_PROTECT2_CP-STL10022.raw RAW_FILE_NAME=0127_XAV_PROTECT2_HP-STL10022.raw RAW_FILE_NAME=0127_XAV_PROTECT2_HN_STL10022.raw SUBJECT_SAMPLE_FACTORS - STL10037 collectionWeek:0 | PUCAI_C3_WKall:moderate/severe plasma_sample_names=10037; age=16; gender=F; race=White; INITIAL_TRT_C4=CS-IV; antibiotics=No; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=1758.479199; RAW_FILE_NAME=0130_XAV_PROTECT2_CN-STL10037.raw RAW_FILE_NAME=0130_XAV_PROTECT2_CP-STL10037.raw RAW_FILE_NAME=0130_XAV_PROTECT2_HP-STL10037.raw RAW_FILE_NAME=0130_XAV_PROTECT2_HN_STL10037.raw SUBJECT_SAMPLE_FACTORS - STL10126 collectionWeek:0 | PUCAI_C3_WKall:moderate/severe plasma_sample_names=10126; age=6; gender=F; race=White; INITIAL_TRT_C4=CS-IV; antibiotics=Yes; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=4572.73312; RAW_FILE_NAME=0124_XAV_PROTECT2_CN-STL10126.raw RAW_FILE_NAME=0124_XAV_PROTECT2_CP-STL10126.raw RAW_FILE_NAME=0124_XAV_PROTECT2_HP-STL10126.raw RAW_FILE_NAME=0124_XAV_PROTECT2_HN_STL10126.raw SUBJECT_SAMPLE_FACTORS - STL10177 collectionWeek:0 | PUCAI_C3_WKall:mild plasma_sample_names=10177; age=16; gender=M; race=White; INITIAL_TRT_C4=5ASA; antibiotics=No; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=219.5961518; RAW_FILE_NAME=0126_XAV_PROTECT2_CN-STL10177.raw RAW_FILE_NAME=0126_XAV_PROTECT2_CP-STL10177.raw RAW_FILE_NAME=0126_XAV_PROTECT2_HP-STL10177.raw RAW_FILE_NAME=0126_XAV_PROTECT2_HN_STL10177.raw SUBJECT_SAMPLE_FACTORS - STL10180 collectionWeek:0 | PUCAI_C3_WKall:mild plasma_sample_names=10180; age=10; gender=M; race=White; INITIAL_TRT_C4=5ASA; antibiotics=No; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=1349.229614; RAW_FILE_NAME=0128_XAV_PROTECT2_CN-STL10180.raw RAW_FILE_NAME=0128_XAV_PROTECT2_CP-STL10180.raw RAW_FILE_NAME=0128_XAV_PROTECT2_HP-STL10180.raw RAW_FILE_NAME=0128_XAV_PROTECT2_HN_STL10180.raw SUBJECT_SAMPLE_FACTORS - STL10191 collectionWeek:0 | PUCAI_C3_WKall:mild plasma_sample_names=10191; age=17; gender=F; race=White; INITIAL_TRT_C4=5ASA; antibiotics=No; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=NA; RAW_FILE_NAME=0046_XAV_PROTECT_CN-STL10191.raw RAW_FILE_NAME=0046_XAV_PROTECT_CP-STL10191.raw RAW_FILE_NAME=0046_XAV_PROTECT_HP-STL10191.raw RAW_FILE_NAME=0021_XAV_PROTECT_HN_STL10191.raw SUBJECT_SAMPLE_FACTORS - STL10240 collectionWeek:0 | PUCAI_C3_WKall:moderate/severe plasma_sample_names=10240; age=11; gender=M; race=White; INITIAL_TRT_C4=CS-IV; antibiotics=No; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=4383.88002; RAW_FILE_NAME=0029_XAV_PROTECT_CN-STL10240.raw RAW_FILE_NAME=0029_XAV_PROTECT_CP-STL10240.raw RAW_FILE_NAME=0029_XAV_PROTECT_HP-STL10240.raw RAW_FILE_NAME=0004_XAV_PROTECT_HN_STL10240.raw SUBJECT_SAMPLE_FACTORS - STL10263 collectionWeek:0 | PUCAI_C3_WKall:moderate/severe plasma_sample_names=10263; age=16; gender=M; race=White; INITIAL_TRT_C4=CS-IV; antibiotics=No; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=1960.896965; RAW_FILE_NAME=0120_XAV_PROTECT2_CN-STL10263.raw RAW_FILE_NAME=0120_XAV_PROTECT2_CP-STL10263.raw RAW_FILE_NAME=0120_XAV_PROTECT2_HP-STL10263.raw RAW_FILE_NAME=0120_XAV_PROTECT2_HN_STL10263.raw SUBJECT_SAMPLE_FACTORS - STL10279 collectionWeek:0 | PUCAI_C3_WKall:mild plasma_sample_names=10279; age=10; gender=M; race=More than one; INITIAL_TRT_C4=5ASA; antibiotics=No; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=851.1898169; RAW_FILE_NAME=0119_XAV_PROTECT2_CN-STL10279.raw RAW_FILE_NAME=0119_XAV_PROTECT2_CP-STL10279.raw RAW_FILE_NAME=0119_XAV_PROTECT2_HP-STL10279.raw RAW_FILE_NAME=0119_XAV_PROTECT2_HN_STL10279.raw SUBJECT_SAMPLE_FACTORS - STL10323 collectionWeek:0 | PUCAI_C3_WKall:mild plasma_sample_names=10323; age=6; gender=F; race=White; INITIAL_TRT_C4=5ASA; antibiotics=No; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=1232.748999; RAW_FILE_NAME=0131_XAV_PROTECT2_CN-STL10323.raw RAW_FILE_NAME=0131_XAV_PROTECT2_CP-STL10323.raw RAW_FILE_NAME=0131_XAV_PROTECT2_HP-STL10323.raw RAW_FILE_NAME=0131_XAV_PROTECT2_HN_STL10323.raw SUBJECT_SAMPLE_FACTORS - STL10405 collectionWeek:0 | PUCAI_C3_WKall:moderate/severe plasma_sample_names=10405; age=13; gender=F; race=White; INITIAL_TRT_C4=CS-IV; antibiotics=Yes; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=921.7383008; RAW_FILE_NAME=0125_XAV_PROTECT2_CN-STL10405.raw RAW_FILE_NAME=0125_XAV_PROTECT2_CP-STL10405.raw RAW_FILE_NAME=0125_XAV_PROTECT2_HP-STL10405.raw RAW_FILE_NAME=0125_XAV_PROTECT2_HN_STL10405.raw SUBJECT_SAMPLE_FACTORS - STL10458 collectionWeek:0 | PUCAI_C3_WKall:moderate/severe plasma_sample_names=10458; age=4; gender=M; race=White; INITIAL_TRT_C4=CS-IV; antibiotics=No; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=1323.984537; RAW_FILE_NAME=0078_XAV_PROTECT2_CN-STL10458.raw RAW_FILE_NAME=0078_XAV_PROTECT2_CP-STL10458.raw RAW_FILE_NAME=0078_XAV_PROTECT2_HP-STL10458.raw RAW_FILE_NAME=0078_XAV_PROTECT2_HN_STL10458.raw SUBJECT_SAMPLE_FACTORS - STL10504 collectionWeek:0 | PUCAI_C3_WKall:moderate/severe plasma_sample_names=10504; age=15; gender=M; race=Asian; INITIAL_TRT_C4=CS-IV; antibiotics=No; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=4603.855155; RAW_FILE_NAME=0132_XAV_PROTECT2_CN-STL10504.raw RAW_FILE_NAME=0132_XAV_PROTECT2_CP-STL10504.raw RAW_FILE_NAME=0132_XAV_PROTECT2_HP-STL10504.raw RAW_FILE_NAME=0132_XAV_PROTECT2_HN_STL10504.raw SUBJECT_SAMPLE_FACTORS - STL10562 collectionWeek:0 | PUCAI_C3_WKall:moderate/severe plasma_sample_names=10562; age=11; gender=M; race=White; INITIAL_TRT_C4=CS-IV; antibiotics=Yes; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=1495.368941; RAW_FILE_NAME=0030_XAV_PROTECT_CN-STL10562.raw RAW_FILE_NAME=0030_XAV_PROTECT_CP-STL10562.raw RAW_FILE_NAME=0030_XAV_PROTECT_HP-STL10562.raw RAW_FILE_NAME=0005_XAV_PROTECT_HN_STL10562.raw SUBJECT_SAMPLE_FACTORS - STL10575 collectionWeek:0 | PUCAI_C3_WKall:mild plasma_sample_names=10575; age=13; gender=F; race=White; INITIAL_TRT_C4=5ASA; antibiotics=No; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=NA; RAW_FILE_NAME=0081_XAV_PROTECT2_CN-STL10575.raw RAW_FILE_NAME=0081_XAV_PROTECT2_CP-STL10575.raw RAW_FILE_NAME=0081_XAV_PROTECT2_HP-STL10575.raw RAW_FILE_NAME=0081_XAV_PROTECT2_HN_STL10575.raw SUBJECT_SAMPLE_FACTORS - STL10590 collectionWeek:0 | PUCAI_C3_WKall:moderate/severe plasma_sample_names=10590; age=16; gender=F; race=White; INITIAL_TRT_C4=CS-IV; antibiotics=No; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=NA; RAW_FILE_NAME=0118_XAV_PROTECT2_CN-STL10590.raw RAW_FILE_NAME=0118_XAV_PROTECT2_CP-STL10590.raw RAW_FILE_NAME=0118_XAV_PROTECT2_HP-STL10590.raw RAW_FILE_NAME=0118_XAV_PROTECT2_HN_STL10590.raw SUBJECT_SAMPLE_FACTORS - STL10603 collectionWeek:0 | PUCAI_C3_WKall:moderate/severe plasma_sample_names=10603; age=9; gender=M; race=White; INITIAL_TRT_C4=CS-Oral; antibiotics=No; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=2926.88829; RAW_FILE_NAME=0096_XAV_PROTECT2_CN-STL10603.raw RAW_FILE_NAME=0096_XAV_PROTECT2_CP-STL10603.raw RAW_FILE_NAME=0096_XAV_PROTECT2_HP-STL10603.raw RAW_FILE_NAME=0096_XAV_PROTECT2_HN_STL10603.raw SUBJECT_SAMPLE_FACTORS - STL10705 collectionWeek:0 | PUCAI_C3_WKall:moderate/severe plasma_sample_names=10705; age=7; gender=F; race=White; INITIAL_TRT_C4=CS-IV; antibiotics=No; COLECTOMY_WK52=Colectomy; CALPROTECTIN_WKall=745.4056701; RAW_FILE_NAME=0116_XAV_PROTECT2_CN-STL10705.raw RAW_FILE_NAME=0116_XAV_PROTECT2_CP-STL10705.raw RAW_FILE_NAME=0116_XAV_PROTECT2_HP-STL10705.raw RAW_FILE_NAME=0116_XAV_PROTECT2_HN_STL10705.raw SUBJECT_SAMPLE_FACTORS - STL10762 collectionWeek:0 | PUCAI_C3_WKall:mild plasma_sample_names=10762; age=15; gender=M; race=White; INITIAL_TRT_C4=5ASA; antibiotics=No; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=5970.177084; RAW_FILE_NAME=0099_XAV_PROTECT2_CN-STL10762.raw RAW_FILE_NAME=0099_XAV_PROTECT2_CP-STL10762.raw RAW_FILE_NAME=0099_XAV_PROTECT2_HP-STL10762.raw RAW_FILE_NAME=0099_XAV_PROTECT2_HN_STL10762.raw SUBJECT_SAMPLE_FACTORS - STL10793 collectionWeek:0 | PUCAI_C3_WKall:moderate/severe plasma_sample_names=10793; age=10; gender=M; race=White; INITIAL_TRT_C4=CS-IV; antibiotics=No; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=3569.895158; RAW_FILE_NAME=0041_XAV_PROTECT_CN-STL10793.raw RAW_FILE_NAME=0041_XAV_PROTECT_CP-STL10793.raw RAW_FILE_NAME=0041_XAV_PROTECT_HP-STL10793.raw RAW_FILE_NAME=0016_XAV_PROTECT_HN_STL10793.raw SUBJECT_SAMPLE_FACTORS - STL10811 collectionWeek:0 | PUCAI_C3_WKall:mild plasma_sample_names=10811; age=15; gender=M; race=White; INITIAL_TRT_C4=5ASA; antibiotics=No; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=2683.599816; RAW_FILE_NAME=0122_XAV_PROTECT2_CN-STL10811.raw RAW_FILE_NAME=0122_XAV_PROTECT2_CP-STL10811.raw RAW_FILE_NAME=0122_XAV_PROTECT2_HP-STL10811.raw RAW_FILE_NAME=0122_XAV_PROTECT2_HN_STL10811.raw SUBJECT_SAMPLE_FACTORS - STL10836 collectionWeek:0 | PUCAI_C3_WKall:moderate/severe plasma_sample_names=10836; age=17; gender=M; race=White; INITIAL_TRT_C4=CS-IV; antibiotics=Yes; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=420.7661813; RAW_FILE_NAME=0117_XAV_PROTECT2_CN-STL10836.raw RAW_FILE_NAME=0117_XAV_PROTECT2_CP-STL10836.raw RAW_FILE_NAME=0117_XAV_PROTECT2_HP-STL10836.raw RAW_FILE_NAME=0117_XAV_PROTECT2_HN_STL10836.raw SUBJECT_SAMPLE_FACTORS - STL10860 collectionWeek:0 | PUCAI_C3_WKall:mild plasma_sample_names=10860; 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age=15; gender=M; race=White; INITIAL_TRT_C4=CS-IV; antibiotics=No; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=5117.066382; RAW_FILE_NAME=0082_XAV_PROTECT2_CN-STL11057.raw RAW_FILE_NAME=0082_XAV_PROTECT2_CP-STL11057.raw RAW_FILE_NAME=0082_XAV_PROTECT2_HP-STL11057.raw RAW_FILE_NAME=0082_XAV_PROTECT2_HN_STL11057.raw SUBJECT_SAMPLE_FACTORS - STL11073 collectionWeek:0 | PUCAI_C3_WKall:moderate/severe plasma_sample_names=11073; age=14; gender=M; race=White; INITIAL_TRT_C4=CS-Oral; antibiotics=No; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=3928.103073; RAW_FILE_NAME=0079_XAV_PROTECT2_CN-STL11073.raw RAW_FILE_NAME=0079_XAV_PROTECT2_CP-STL11073.raw RAW_FILE_NAME=0079_XAV_PROTECT2_HP-STL11073.raw RAW_FILE_NAME=0079_XAV_PROTECT2_HN_STL11073.raw SUBJECT_SAMPLE_FACTORS - STL11080 collectionWeek:0 | PUCAI_C3_WKall:moderate/severe plasma_sample_names=11080; age=15; gender=M; race=White; INITIAL_TRT_C4=CS-IV; antibiotics=No; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=4462.483197; RAW_FILE_NAME=0068_XAV_PROTECT2_CN-STL11080.raw RAW_FILE_NAME=0068_XAV_PROTECT2_CP-STL11080.raw RAW_FILE_NAME=0068_XAV_PROTECT2_HP-STL11080.raw RAW_FILE_NAME=0068_XAV_PROTECT2_HN_STL11080.raw SUBJECT_SAMPLE_FACTORS - STL11089 collectionWeek:0 | PUCAI_C3_WKall:mild plasma_sample_names=11089; age=16; gender=F; race=White; INITIAL_TRT_C4=5ASA; antibiotics=No; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=1180.438493; RAW_FILE_NAME=0113_XAV_PROTECT2_CN-STL11089.raw RAW_FILE_NAME=0113_XAV_PROTECT2_CP-STL11089.raw RAW_FILE_NAME=0113_XAV_PROTECT2_HP-STL11089.raw RAW_FILE_NAME=0113_XAV_PROTECT2_HN_STL11089.raw SUBJECT_SAMPLE_FACTORS - STL11122 collectionWeek:0 | PUCAI_C3_WKall:moderate/severe plasma_sample_names=11122; age=17; gender=F; race=White; INITIAL_TRT_C4=CS-IV; antibiotics=No; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=2066.385025; RAW_FILE_NAME=0083_XAV_PROTECT2_CN-STL11122.raw RAW_FILE_NAME=0083_XAV_PROTECT2_CP-STL11122.raw RAW_FILE_NAME=0083_XAV_PROTECT2_HP-STL11122.raw RAW_FILE_NAME=0083_XAV_PROTECT2_HN_STL11122.raw SUBJECT_SAMPLE_FACTORS - STL20014 collectionWeek:12 | PUCAI_C3_WKall:inactive plasma_sample_names=20014; age=11; gender=M; race=White; INITIAL_TRT_C4=CS-IV; antibiotics=Yes; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=66.1068384; RAW_FILE_NAME=0028_XAV_PROTECT_CN-STL20014.raw RAW_FILE_NAME=0028_XAV_PROTECT_CP-STL20014.raw RAW_FILE_NAME=0028_XAV_PROTECT_HP-STL20014.raw RAW_FILE_NAME=0003_XAV_PROTECT_HN_STL20014.raw SUBJECT_SAMPLE_FACTORS - STL20112 collectionWeek:12 | PUCAI_C3_WKall:inactive plasma_sample_names=20112; age=10; gender=M; race=White; INITIAL_TRT_C4=CS-IV; antibiotics=No; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=1255.2788; RAW_FILE_NAME=0039_XAV_PROTECT_CN-STL20112.raw RAW_FILE_NAME=0039_XAV_PROTECT_CP-STL20112.raw RAW_FILE_NAME=0039_XAV_PROTECT_HP-STL20112.raw RAW_FILE_NAME=0014_XAV_PROTECT_HN_STL20112.raw SUBJECT_SAMPLE_FACTORS - STL20117 collectionWeek:12 | PUCAI_C3_WKall:inactive plasma_sample_names=20117; age=17; gender=F; race=White; INITIAL_TRT_C4=5ASA; antibiotics=No; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=40.12085351; RAW_FILE_NAME=0047_XAV_PROTECT_CN-STL20117.raw RAW_FILE_NAME=0047_XAV_PROTECT_CP-STL20117.raw RAW_FILE_NAME=0047_XAV_PROTECT_HP-STL20117.raw RAW_FILE_NAME=0022_XAV_PROTECT_HN_STL20117.raw SUBJECT_SAMPLE_FACTORS - STL20136 collectionWeek:12 | PUCAI_C3_WKall:inactive plasma_sample_names=20136; age=16; gender=F; race=White; INITIAL_TRT_C4=CS-IV; antibiotics=No; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=16.9896296; RAW_FILE_NAME=0084_XAV_PROTECT2_CN-STL20136.raw RAW_FILE_NAME=0084_XAV_PROTECT2_CP-STL20136.raw RAW_FILE_NAME=0084_XAV_PROTECT2_HP-STL20136.raw RAW_FILE_NAME=0084_XAV_PROTECT2_HN_STL20136.raw SUBJECT_SAMPLE_FACTORS - STL20184 collectionWeek:12 | PUCAI_C3_WKall:moderate/severe plasma_sample_names=20184; age=6; gender=F; race=White; INITIAL_TRT_C4=5ASA; antibiotics=No; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=1209.23396; RAW_FILE_NAME=0100_XAV_PROTECT2_CN-STL20184.raw RAW_FILE_NAME=0100_XAV_PROTECT2_CP-STL20184.raw RAW_FILE_NAME=0100_XAV_PROTECT2_HP-STL20184.raw RAW_FILE_NAME=0100_XAV_PROTECT2_HN_STL20184.raw SUBJECT_SAMPLE_FACTORS - STL20185 collectionWeek:12 | PUCAI_C3_WKall:inactive plasma_sample_names=20185; age=6; gender=F; race=White; INITIAL_TRT_C4=CS-IV; antibiotics=Yes; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=NA; RAW_FILE_NAME=0077_XAV_PROTECT2_CN-STL20185.raw RAW_FILE_NAME=0077_XAV_PROTECT2_CP-STL20185.raw RAW_FILE_NAME=0077_XAV_PROTECT2_HP-STL20185.raw RAW_FILE_NAME=0077_XAV_PROTECT2_HN_STL20185.raw SUBJECT_SAMPLE_FACTORS - STL20276 collectionWeek:12 | PUCAI_C3_WKall:inactive plasma_sample_names=20276; age=13; gender=F; race=White; INITIAL_TRT_C4=5ASA; antibiotics=No; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=21.56883164; RAW_FILE_NAME=0080_XAV_PROTECT2_CN-STL20276.raw RAW_FILE_NAME=0080_XAV_PROTECT2_CP-STL20276.raw RAW_FILE_NAME=0080_XAV_PROTECT2_HP-STL20276.raw RAW_FILE_NAME=0080_XAV_PROTECT2_HN_STL20276.raw SUBJECT_SAMPLE_FACTORS - STL20292 collectionWeek:12 | PUCAI_C3_WKall:inactive plasma_sample_names=20292; age=9; gender=M; race=White; INITIAL_TRT_C4=CS-Oral; antibiotics=No; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=111.8214216; RAW_FILE_NAME=0097_XAV_PROTECT2_CN-STL20292.raw RAW_FILE_NAME=0097_XAV_PROTECT2_CP-STL20292.raw RAW_FILE_NAME=0097_XAV_PROTECT2_HP-STL20292.raw RAW_FILE_NAME=0097_XAV_PROTECT2_HN_STL20292.raw SUBJECT_SAMPLE_FACTORS - STL20316 collectionWeek:12 | PUCAI_C3_WKall:inactive plasma_sample_names=20316; age=11; gender=M; race=White; INITIAL_TRT_C4=CS-IV; antibiotics=No; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=68.57271523; RAW_FILE_NAME=0032_XAV_PROTECT_CN-STL20316.raw RAW_FILE_NAME=0032_XAV_PROTECT_CP-STL20316.raw RAW_FILE_NAME=0032_XAV_PROTECT_HP-STL20316.raw RAW_FILE_NAME=0007_XAV_PROTECT_HN_STL20316.raw SUBJECT_SAMPLE_FACTORS - STL20378 collectionWeek:12 | PUCAI_C3_WKall:inactive plasma_sample_names=20378; age=7; gender=F; race=White; INITIAL_TRT_C4=CS-IV; antibiotics=No; COLECTOMY_WK52=Colectomy; CALPROTECTIN_WKall=198.0266986; RAW_FILE_NAME=0086_XAV_PROTECT2_CN-STL20378.raw RAW_FILE_NAME=0086_XAV_PROTECT2_CP-STL20378.raw RAW_FILE_NAME=0086_XAV_PROTECT2_HP-STL20378.raw RAW_FILE_NAME=0086_XAV_PROTECT2_HN_STL20378.raw SUBJECT_SAMPLE_FACTORS - STL20461 collectionWeek:12 | PUCAI_C3_WKall:inactive plasma_sample_names=20461; age=15; gender=M; race=White; INITIAL_TRT_C4=5ASA; antibiotics=No; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=57.26258119; RAW_FILE_NAME=0108_XAV_PROTECT2_CN-STL20461.raw RAW_FILE_NAME=0108_XAV_PROTECT2_CP-STL20461.raw RAW_FILE_NAME=0108_XAV_PROTECT2_HP-STL20461.raw RAW_FILE_NAME=0108_XAV_PROTECT2_HN_STL20461.raw SUBJECT_SAMPLE_FACTORS - STL20481 collectionWeek:12 | PUCAI_C3_WKall:inactive plasma_sample_names=20481; age=16; gender=M; race=White; INITIAL_TRT_C4=5ASA; antibiotics=No; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=2672.0754; RAW_FILE_NAME=0050_XAV_PROTECT_CN-STL20481.raw RAW_FILE_NAME=0050_XAV_PROTECT_CP-STL20481.raw RAW_FILE_NAME=0050_XAV_PROTECT_HP-STL20481.raw RAW_FILE_NAME=0025_XAV_PROTECT_HN_STL20481.raw SUBJECT_SAMPLE_FACTORS - STL20497 collectionWeek:12 | PUCAI_C3_WKall:inactive plasma_sample_names=20497; age=16; gender=M; race=White; INITIAL_TRT_C4=5ASA; antibiotics=No; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=84.19246012; RAW_FILE_NAME=0038_XAV_PROTECT_CN-STL20497.raw RAW_FILE_NAME=0038_XAV_PROTECT_CP-STL20497.raw RAW_FILE_NAME=0038_XAV_PROTECT_HP-STL20497.raw RAW_FILE_NAME=0013_XAV_PROTECT_HN_STL20497.raw SUBJECT_SAMPLE_FACTORS - STL20522 collectionWeek:12 | PUCAI_C3_WKall:inactive plasma_sample_names=20522; age=4; gender=M; race=White; INITIAL_TRT_C4=CS-IV; antibiotics=No; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=85.29586912; RAW_FILE_NAME=0074_XAV_PROTECT2_CN-STL20522.raw RAW_FILE_NAME=0074_XAV_PROTECT2_CP-STL20522.raw RAW_FILE_NAME=0074_XAV_PROTECT2_HP-STL20522.raw RAW_FILE_NAME=0074_XAV_PROTECT2_HN_STL20522.raw SUBJECT_SAMPLE_FACTORS - STL20539 collectionWeek:12 | PUCAI_C3_WKall:moderate/severe plasma_sample_names=20539; age=15; gender=M; race=White; INITIAL_TRT_C4=5ASA; antibiotics=No; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=267.8984998; RAW_FILE_NAME=0070_XAV_PROTECT2_CN-STL20539.raw RAW_FILE_NAME=0070_XAV_PROTECT2_CP-STL20539.raw RAW_FILE_NAME=0070_XAV_PROTECT2_HP-STL20539.raw RAW_FILE_NAME=0070_XAV_PROTECT2_HN_STL20539.raw SUBJECT_SAMPLE_FACTORS - STL20630 collectionWeek:12 | PUCAI_C3_WKall:inactive plasma_sample_names=20630; age=16; gender=F; race=White; INITIAL_TRT_C4=5ASA; antibiotics=No; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=264.1486662; RAW_FILE_NAME=0090_XAV_PROTECT2_CN-STL20630.raw RAW_FILE_NAME=0090_XAV_PROTECT2_CP-STL20630.raw RAW_FILE_NAME=0090_XAV_PROTECT2_HP-STL20630.raw RAW_FILE_NAME=0090_XAV_PROTECT2_HN_STL20630.raw SUBJECT_SAMPLE_FACTORS - STL20631 collectionWeek:12 | PUCAI_C3_WKall:inactive plasma_sample_names=20631; age=14; gender=M; race=White; INITIAL_TRT_C4=CS-Oral; antibiotics=No; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=74.84901995; RAW_FILE_NAME=0121_XAV_PROTECT2_CN-STL20631.raw RAW_FILE_NAME=0121_XAV_PROTECT2_CP-STL20631.raw RAW_FILE_NAME=0121_XAV_PROTECT2_HP-STL20631.raw RAW_FILE_NAME=0121_XAV_PROTECT2_HN_STL20631.raw SUBJECT_SAMPLE_FACTORS - STL20644 collectionWeek:12 | PUCAI_C3_WKall:inactive plasma_sample_names=20644; age=17; gender=F; race=White; INITIAL_TRT_C4=CS-IV; antibiotics=No; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=236.197835; RAW_FILE_NAME=0088_XAV_PROTECT2_CN-STL20644.raw RAW_FILE_NAME=0088_XAV_PROTECT2_CP-STL20644.raw RAW_FILE_NAME=0088_XAV_PROTECT2_HP-STL20644.raw RAW_FILE_NAME=0088_XAV_PROTECT2_HN_STL20644.raw SUBJECT_SAMPLE_FACTORS - STL20648 collectionWeek:12 | PUCAI_C3_WKall:mild plasma_sample_names=20648; age=15; gender=M; race=White; INITIAL_TRT_C4=CS-IV; antibiotics=No; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=2537.564525; RAW_FILE_NAME=0095_XAV_PROTECT2_CN-STL20648.raw RAW_FILE_NAME=0095_XAV_PROTECT2_CP-STL20648.raw RAW_FILE_NAME=0095_XAV_PROTECT2_HP-STL20648.raw RAW_FILE_NAME=0095_XAV_PROTECT2_HN_STL20648.raw SUBJECT_SAMPLE_FACTORS - STL20653 collectionWeek:12 | PUCAI_C3_WKall:inactive plasma_sample_names=20653; age=16; gender=F; race=White; INITIAL_TRT_C4=CS-Oral; antibiotics=No; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=1130.102504; RAW_FILE_NAME=0093_XAV_PROTECT2_CN-STL20653.raw RAW_FILE_NAME=0093_XAV_PROTECT2_CP-STL20653.raw RAW_FILE_NAME=0093_XAV_PROTECT2_HP-STL20653.raw RAW_FILE_NAME=0093_XAV_PROTECT2_HN_STL20653.raw SUBJECT_SAMPLE_FACTORS - STL20654 collectionWeek:12 | PUCAI_C3_WKall:mild plasma_sample_names=20654; age=13; gender=F; race=White; INITIAL_TRT_C4=CS-IV; antibiotics=No; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=3007.920221; RAW_FILE_NAME=0089_XAV_PROTECT2_CN-STL20654.raw RAW_FILE_NAME=0089_XAV_PROTECT2_CP-STL20654.raw RAW_FILE_NAME=0089_XAV_PROTECT2_HP-STL20654.raw RAW_FILE_NAME=0089_XAV_PROTECT2_HN_STL20654.raw SUBJECT_SAMPLE_FACTORS - STL20672 collectionWeek:12 | PUCAI_C3_WKall:inactive plasma_sample_names=20672; age=14; gender=M; race=White; INITIAL_TRT_C4=CS-IV; antibiotics=No; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=50.75575702; RAW_FILE_NAME=0043_XAV_PROTECT_CN-STL20672.raw RAW_FILE_NAME=0043_XAV_PROTECT_CP-STL20672.raw RAW_FILE_NAME=0043_XAV_PROTECT_HP-STL20672.raw RAW_FILE_NAME=0018_XAV_PROTECT_HN_STL20672.raw SUBJECT_SAMPLE_FACTORS - STL40001 collectionWeek:4 | PUCAI_C3_WKall:inactive plasma_sample_names=40001; age=11; gender=M; race=White; INITIAL_TRT_C4=CS-IV; antibiotics=No; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=237.12606; RAW_FILE_NAME=0026_XAV_PROTECT_CN-STL40001.raw RAW_FILE_NAME=0026_XAV_PROTECT_CP-STL40001.raw RAW_FILE_NAME=0026_XAV_PROTECT_HP-STL40001.raw RAW_FILE_NAME=0001_XAV_PROTECT_HN_STL40001.raw SUBJECT_SAMPLE_FACTORS - STL40014 collectionWeek:4 | PUCAI_C3_WKall:mild plasma_sample_names=40014; age=10; gender=M; race=More than one; INITIAL_TRT_C4=5ASA; antibiotics=Yes; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=3157.241902; RAW_FILE_NAME=0075_XAV_PROTECT2_CN-STL40014.raw RAW_FILE_NAME=0075_XAV_PROTECT2_CP-STL40014.raw RAW_FILE_NAME=0075_XAV_PROTECT2_HP-STL40014.raw RAW_FILE_NAME=0075_XAV_PROTECT2_HN_STL40014.raw SUBJECT_SAMPLE_FACTORS - STL40017 collectionWeek:4 | PUCAI_C3_WKall:inactive plasma_sample_names=40017; age=12; gender=F; race=White; INITIAL_TRT_C4=CS-IV; antibiotics=No; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=85.34196607; RAW_FILE_NAME=0087_XAV_PROTECT2_CN-STL40017.raw RAW_FILE_NAME=0087_XAV_PROTECT2_CP-STL40017.raw RAW_FILE_NAME=0087_XAV_PROTECT2_HP-STL40017.raw RAW_FILE_NAME=0087_XAV_PROTECT2_HN_STL40017.raw SUBJECT_SAMPLE_FACTORS - STL40040 collectionWeek:4 | PUCAI_C3_WKall:inactive plasma_sample_names=40040; age=16; gender=M; race=White; INITIAL_TRT_C4=5ASA; antibiotics=No; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=1417.38207; RAW_FILE_NAME=0115_XAV_PROTECT2_CN-STL40040.raw RAW_FILE_NAME=0115_XAV_PROTECT2_CP-STL40040.raw RAW_FILE_NAME=0115_XAV_PROTECT2_HP-STL40040.raw RAW_FILE_NAME=0115_XAV_PROTECT2_HN_STL40040.raw SUBJECT_SAMPLE_FACTORS - STL40066 collectionWeek:4 | PUCAI_C3_WKall:inactive plasma_sample_names=40066; age=16; gender=M; race=White; INITIAL_TRT_C4=CS-IV; antibiotics=No; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=927.0145432; RAW_FILE_NAME=0104_XAV_PROTECT2_CN-STL40066.raw RAW_FILE_NAME=0104_XAV_PROTECT2_CP-STL40066.raw RAW_FILE_NAME=0104_XAV_PROTECT2_HP-STL40066.raw RAW_FILE_NAME=0104_XAV_PROTECT2_HN_STL40066.raw SUBJECT_SAMPLE_FACTORS - STL40177 collectionWeek:4 | PUCAI_C3_WKall:inactive plasma_sample_names=40177; age=10; gender=M; race=White; INITIAL_TRT_C4=5ASA; antibiotics=No; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=370.8685744; RAW_FILE_NAME=0129_XAV_PROTECT2_CN-STL40177.raw RAW_FILE_NAME=0129_XAV_PROTECT2_CP-STL40177.raw RAW_FILE_NAME=0129_XAV_PROTECT2_HP-STL40177.raw RAW_FILE_NAME=0129_XAV_PROTECT2_HN_STL40177.raw SUBJECT_SAMPLE_FACTORS - STL40180 collectionWeek:4 | PUCAI_C3_WKall:inactive plasma_sample_names=40180; age=16; gender=F; race=White; INITIAL_TRT_C4=CS-IV; antibiotics=No; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=184.1935506; RAW_FILE_NAME=0105_XAV_PROTECT2_CN-STL40180.raw RAW_FILE_NAME=0105_XAV_PROTECT2_CP-STL40180.raw RAW_FILE_NAME=0105_XAV_PROTECT2_HP-STL40180.raw RAW_FILE_NAME=0105_XAV_PROTECT2_HN_STL40180.raw SUBJECT_SAMPLE_FACTORS - STL40229 collectionWeek:4 | PUCAI_C3_WKall:inactive plasma_sample_names=40229; age=13; gender=F; race=White; INITIAL_TRT_C4=CS-IV; antibiotics=Yes; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=1002.486494; RAW_FILE_NAME=0085_XAV_PROTECT2_CN-STL40229.raw RAW_FILE_NAME=0085_XAV_PROTECT2_CP-STL40229.raw RAW_FILE_NAME=0085_XAV_PROTECT2_HP-STL40229.raw RAW_FILE_NAME=0085_XAV_PROTECT2_HN_STL40229.raw SUBJECT_SAMPLE_FACTORS - STL40244 collectionWeek:4 | PUCAI_C3_WKall:mild plasma_sample_names=40244; age=9; gender=M; race=White; INITIAL_TRT_C4=CS-Oral; antibiotics=No; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=1054.148623; RAW_FILE_NAME=0098_XAV_PROTECT2_CN-STL40244.raw RAW_FILE_NAME=0098_XAV_PROTECT2_CP-STL40244.raw RAW_FILE_NAME=0098_XAV_PROTECT2_HP-STL40244.raw RAW_FILE_NAME=0098_XAV_PROTECT2_HN_STL40244.raw SUBJECT_SAMPLE_FACTORS - STL40280 collectionWeek:4 | PUCAI_C3_WKall:inactive plasma_sample_names=40280; age=15; gender=M; race=Asian; INITIAL_TRT_C4=CS-IV; antibiotics=Yes; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=2492.758542; RAW_FILE_NAME=0107_XAV_PROTECT2_CN-STL40280.raw RAW_FILE_NAME=0107_XAV_PROTECT2_CP-STL40280.raw RAW_FILE_NAME=0107_XAV_PROTECT2_HP-STL40280.raw RAW_FILE_NAME=0107_XAV_PROTECT2_HN_STL40280.raw SUBJECT_SAMPLE_FACTORS - STL40437 collectionWeek:4 | PUCAI_C3_WKall:mild plasma_sample_names=40437; age=7; gender=F; race=White; INITIAL_TRT_C4=CS-IV; antibiotics=No; COLECTOMY_WK52=Colectomy; CALPROTECTIN_WKall=4707.178386; RAW_FILE_NAME=0106_XAV_PROTECT2_CN-STL40437.raw RAW_FILE_NAME=0106_XAV_PROTECT2_CP-STL40437.raw RAW_FILE_NAME=0106_XAV_PROTECT2_HP-STL40437.raw RAW_FILE_NAME=0106_XAV_PROTECT2_HN_STL40437.raw SUBJECT_SAMPLE_FACTORS - STL40455 collectionWeek:4 | PUCAI_C3_WKall:moderate/severe plasma_sample_names=40455; age=10; gender=M; race=White; INITIAL_TRT_C4=CS-IV; antibiotics=No; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=569.944488; RAW_FILE_NAME=0040_XAV_PROTECT_CN-STL40455.raw RAW_FILE_NAME=0040_XAV_PROTECT_CP-STL40455.raw RAW_FILE_NAME=0040_XAV_PROTECT_HP-STL40455.raw RAW_FILE_NAME=0015_XAV_PROTECT_HN_STL40455.raw SUBJECT_SAMPLE_FACTORS - STL40487 collectionWeek:4 | PUCAI_C3_WKall:inactive plasma_sample_names=40487; age=15; gender=M; race=White; INITIAL_TRT_C4=5ASA; antibiotics=No; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=124.3773939; RAW_FILE_NAME=0114_XAV_PROTECT2_CN-STL40487.raw RAW_FILE_NAME=0114_XAV_PROTECT2_CP-STL40487.raw RAW_FILE_NAME=0114_XAV_PROTECT2_HP-STL40487.raw RAW_FILE_NAME=0114_XAV_PROTECT2_HN_STL40487.raw SUBJECT_SAMPLE_FACTORS - STL40511 collectionWeek:4 | PUCAI_C3_WKall:mild plasma_sample_names=40511; age=17; gender=M; race=White; INITIAL_TRT_C4=CS-IV; antibiotics=Yes; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=495.8730871; RAW_FILE_NAME=0067_XAV_PROTECT2_CN-STL40511.raw RAW_FILE_NAME=0067_XAV_PROTECT2_CP-STL40511.raw RAW_FILE_NAME=0067_XAV_PROTECT2_HP-STL40511.raw RAW_FILE_NAME=0067_XAV_PROTECT2_HN_STL40511.raw SUBJECT_SAMPLE_FACTORS - STL40521 collectionWeek:4 | PUCAI_C3_WKall:inactive plasma_sample_names=40521; age=4; gender=M; race=White; INITIAL_TRT_C4=CS-IV; antibiotics=No; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=143.2772418; RAW_FILE_NAME=0071_XAV_PROTECT2_CN-STL40521.raw RAW_FILE_NAME=0071_XAV_PROTECT2_CP-STL40521.raw RAW_FILE_NAME=0071_XAV_PROTECT2_HP-STL40521.raw RAW_FILE_NAME=0071_XAV_PROTECT2_HN_STL40521.raw SUBJECT_SAMPLE_FACTORS - STL40535 collectionWeek:4 | PUCAI_C3_WKall:inactive plasma_sample_names=40535; age=16; gender=M; race=White; INITIAL_TRT_C4=5ASA; antibiotics=No; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=3129.120631; RAW_FILE_NAME=0049_XAV_PROTECT_CN-STL40535.raw RAW_FILE_NAME=0049_XAV_PROTECT_CP-STL40535.raw RAW_FILE_NAME=0049_XAV_PROTECT_HP-STL40535.raw RAW_FILE_NAME=0024_XAV_PROTECT_HN_STL40535.raw SUBJECT_SAMPLE_FACTORS - STL40539 collectionWeek:4 | PUCAI_C3_WKall:mild plasma_sample_names=40539; age=16; gender=M; race=White; INITIAL_TRT_C4=CS-Oral; antibiotics=No; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=5739.897308; RAW_FILE_NAME=0111_XAV_PROTECT2_CN-STL40539.raw RAW_FILE_NAME=0111_XAV_PROTECT2_CP-STL40539.raw RAW_FILE_NAME=0111_XAV_PROTECT2_HP-STL40539.raw RAW_FILE_NAME=0111_XAV_PROTECT2_HN_STL40539.raw SUBJECT_SAMPLE_FACTORS - STL40554 collectionWeek:12 | PUCAI_C3_WKall:mild plasma_sample_names=40554; age=16; gender=F; race=White; INITIAL_TRT_C4=CS-IV; antibiotics=No; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=82.38900608; RAW_FILE_NAME=0102_XAV_PROTECT2_CN-STL40554.raw RAW_FILE_NAME=0102_XAV_PROTECT2_CP-STL40554.raw RAW_FILE_NAME=0102_XAV_PROTECT2_HP-STL40554.raw RAW_FILE_NAME=0102_XAV_PROTECT2_HN_STL40554.raw SUBJECT_SAMPLE_FACTORS - STL40555 collectionWeek:4 | PUCAI_C3_WKall:mild plasma_sample_names=40555; age=16; gender=F; race=White; INITIAL_TRT_C4=CS-IV; antibiotics=No; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=4475.57405; RAW_FILE_NAME=0073_XAV_PROTECT2_CN-STL40555.raw RAW_FILE_NAME=0073_XAV_PROTECT2_CP-STL40555.raw RAW_FILE_NAME=0073_XAV_PROTECT2_HP-STL40555.raw RAW_FILE_NAME=0073_XAV_PROTECT2_HN_STL40555.raw SUBJECT_SAMPLE_FACTORS - STL40571 collectionWeek:4 | PUCAI_C3_WKall:inactive plasma_sample_names=40571; age=8; gender=F; race=White; INITIAL_TRT_C4=CS-IV; antibiotics=No; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=801.8727263; RAW_FILE_NAME=0109_XAV_PROTECT2_CN-STL40571.raw RAW_FILE_NAME=0109_XAV_PROTECT2_CP-STL40571.raw RAW_FILE_NAME=0109_XAV_PROTECT2_HP-STL40571.raw RAW_FILE_NAME=0109_XAV_PROTECT2_HN_STL40571.raw SUBJECT_SAMPLE_FACTORS - STL40593 collectionWeek:12 | PUCAI_C3_WKall:mild plasma_sample_names=40593; age=12; gender=F; race=White; INITIAL_TRT_C4=5ASA; antibiotics=No; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=111.6676861; RAW_FILE_NAME=0076_XAV_PROTECT2_CN-STL40593.raw RAW_FILE_NAME=0076_XAV_PROTECT2_CP-STL40593.raw RAW_FILE_NAME=0076_XAV_PROTECT2_HP-STL40593.raw RAW_FILE_NAME=0076_XAV_PROTECT2_HN_STL40593.raw SUBJECT_SAMPLE_FACTORS - STL40595 collectionWeek:4 | PUCAI_C3_WKall:mild plasma_sample_names=40595; age=12; gender=F; race=White; INITIAL_TRT_C4=5ASA; antibiotics=No; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=1496.14185; RAW_FILE_NAME=0103_XAV_PROTECT2_CN-STL40595.raw RAW_FILE_NAME=0103_XAV_PROTECT2_CP-STL40595.raw RAW_FILE_NAME=0103_XAV_PROTECT2_HP-STL40595.raw RAW_FILE_NAME=0103_XAV_PROTECT2_HN_STL40595.raw SUBJECT_SAMPLE_FACTORS - STL40626 collectionWeek:4 | PUCAI_C3_WKall:mild plasma_sample_names=40626; age=15; gender=M; race=White; INITIAL_TRT_C4=CS-IV; antibiotics=No; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=91.22837998; RAW_FILE_NAME=0069_XAV_PROTECT2_CN-STL40626.raw RAW_FILE_NAME=0069_XAV_PROTECT2_CP-STL40626.raw RAW_FILE_NAME=0069_XAV_PROTECT2_HP-STL40626.raw RAW_FILE_NAME=0069_XAV_PROTECT2_HN_STL40626.raw SUBJECT_SAMPLE_FACTORS - STL40635 collectionWeek:4 | PUCAI_C3_WKall:moderate/severe plasma_sample_names=40635; age=14; gender=F; race=White; INITIAL_TRT_C4=CS-IV; antibiotics=No; COLECTOMY_WK52=Colectomy; CALPROTECTIN_WKall=1877.621849; RAW_FILE_NAME=0035_XAV_PROTECT_CN-STL40635.raw RAW_FILE_NAME=0035_XAV_PROTECT_CP-STL40635.raw RAW_FILE_NAME=0035_XAV_PROTECT_HP-STL40635.raw RAW_FILE_NAME=0010_XAV_PROTECT_HN_STL40635.raw SUBJECT_SAMPLE_FACTORS - STL40673 collectionWeek:4 | PUCAI_C3_WKall:inactive plasma_sample_names=40673; age=16; gender=M; race=White; INITIAL_TRT_C4=5ASA; antibiotics=No; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=76.83240768; RAW_FILE_NAME=0037_XAV_PROTECT_CN-STL40673.raw RAW_FILE_NAME=0037_XAV_PROTECT_CP-STL40673.raw RAW_FILE_NAME=0037_XAV_PROTECT_HP-STL40673.raw RAW_FILE_NAME=0012_XAV_PROTECT_HN_STL40673.raw SUBJECT_SAMPLE_FACTORS - STL40691 collectionWeek:4 | PUCAI_C3_WKall:mild plasma_sample_names=40691; age=14; gender=M; race=White; INITIAL_TRT_C4=CS-Oral; antibiotics=No; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=1150.125322; RAW_FILE_NAME=0092_XAV_PROTECT2_CN-STL40691.raw RAW_FILE_NAME=0092_XAV_PROTECT2_CP-STL40691.raw RAW_FILE_NAME=0092_XAV_PROTECT2_HP-STL40691.raw RAW_FILE_NAME=0092_XAV_PROTECT2_HN_STL40691.raw SUBJECT_SAMPLE_FACTORS - STL40701 collectionWeek:4 | PUCAI_C3_WKall:inactive plasma_sample_names=40701; age=15; gender=M; race=White; INITIAL_TRT_C4=CS-IV; antibiotics=No; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=340.6709657; RAW_FILE_NAME=0094_XAV_PROTECT2_CN-STL40701.raw RAW_FILE_NAME=0094_XAV_PROTECT2_CP-STL40701.raw RAW_FILE_NAME=0094_XAV_PROTECT2_HP-STL40701.raw RAW_FILE_NAME=0094_XAV_PROTECT2_HN_STL40701.raw SUBJECT_SAMPLE_FACTORS - STL40716 collectionWeek:4 | PUCAI_C3_WKall:mild plasma_sample_names=40716; age=13; gender=F; race=White; INITIAL_TRT_C4=CS-IV; antibiotics=Yes; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=864.6346061; RAW_FILE_NAME=0091_XAV_PROTECT2_CN-STL40716.raw RAW_FILE_NAME=0091_XAV_PROTECT2_CP-STL40716.raw RAW_FILE_NAME=0091_XAV_PROTECT2_HP-STL40716.raw RAW_FILE_NAME=0091_XAV_PROTECT2_HN_STL40716.raw SUBJECT_SAMPLE_FACTORS - STL40720 collectionWeek:4 | PUCAI_C3_WKall:mild plasma_sample_names=40720; age=14; gender=M; race=White; INITIAL_TRT_C4=CS-IV; antibiotics=No; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=157.2624932; RAW_FILE_NAME=0044_XAV_PROTECT_CN-STL40720.raw RAW_FILE_NAME=0044_XAV_PROTECT_CP-STL40720.raw RAW_FILE_NAME=0044_XAV_PROTECT_HP-STL40720.raw RAW_FILE_NAME=0019_XAV_PROTECT_HN_STL40720.raw SUBJECT_SAMPLE_FACTORS - STL50160 collectionWeek:52 | PUCAI_C3_WKall:inactive plasma_sample_names=50160; age=11; gender=M; race=White; INITIAL_TRT_C4=CS-IV; antibiotics=No; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=52.06809824; RAW_FILE_NAME=0027_XAV_PROTECT_CN-STL50160.raw RAW_FILE_NAME=0027_XAV_PROTECT_CP-STL50160.raw RAW_FILE_NAME=0027_XAV_PROTECT_HP-STL50160.raw RAW_FILE_NAME=0002_XAV_PROTECT_HN_STL50160.raw SUBJECT_SAMPLE_FACTORS - STL50315 collectionWeek:52 | PUCAI_C3_WKall:moderate/severe plasma_sample_names=50315; age=11; gender=M; race=White; INITIAL_TRT_C4=CS-IV; antibiotics=No; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=1352.586976; RAW_FILE_NAME=0031_XAV_PROTECT_CN-STL50315.raw RAW_FILE_NAME=0031_XAV_PROTECT_CP-STL50315.raw RAW_FILE_NAME=0031_XAV_PROTECT_HP-STL50315.raw RAW_FILE_NAME=0006_XAV_PROTECT_HN_STL50315.raw SUBJECT_SAMPLE_FACTORS - STL50425 collectionWeek:52 | PUCAI_C3_WKall:moderate/severe plasma_sample_names=50425; age=14; gender=F; race=White; INITIAL_TRT_C4=CS-IV; antibiotics=No; COLECTOMY_WK52=Colectomy; CALPROTECTIN_WKall=706.6857684; RAW_FILE_NAME=0034_XAV_PROTECT_CN-STL50425.raw RAW_FILE_NAME=0034_XAV_PROTECT_CP-STL50425.raw RAW_FILE_NAME=0034_XAV_PROTECT_HP-STL50425.raw RAW_FILE_NAME=0009_XAV_PROTECT_HN_STL50425.raw SUBJECT_SAMPLE_FACTORS - STL50520 collectionWeek:52 | PUCAI_C3_WKall:inactive plasma_sample_names=50520; age=14; gender=M; race=White; INITIAL_TRT_C4=CS-IV; antibiotics=No; COLECTOMY_WK52=No colectomy; CALPROTECTIN_WKall=196.6421795; RAW_FILE_NAME=0045_XAV_PROTECT_CN-STL50520.raw RAW_FILE_NAME=0045_XAV_PROTECT_CP-STL50520.raw RAW_FILE_NAME=0045_XAV_PROTECT_HP-STL50520.raw RAW_FILE_NAME=0020_XAV_PROTECT_HN_STL50520.raw #COLLECTION CO:COLLECTION_SUMMARY Pediatric UC patients (4-17 years of age) were recruited between July 2012 and CO:COLLECTION_SUMMARY April 2015 from 29 centers in the USA and Canada and monitored over the course CO:COLLECTION_SUMMARY of one year. Patients were treatment-naive at week 0 and received either CO:COLLECTION_SUMMARY 5-aminosalicylic acid (mesalamine) or oral/intravenous corticosteroids followed CO:COLLECTION_SUMMARY by mesalamine. Up to 4 samples were collected from each patient (week 0, 4, 12 CO:COLLECTION_SUMMARY and 52). In addition, metadata and clinical data were collected, including age, CO:COLLECTION_SUMMARY gender, ethnicity, treatment, Pediatric Ulcerative Colitis Activity Index CO:COLLECTION_SUMMARY (PUCAI), disease progression (colectomy and remission status) and fecal CO:COLLECTION_SUMMARY calprotectin (ELISA). Stool samples were frozen at -20 degrees at time of CO:COLLECTION_SUMMARY collection by study participants and transported back to the site via freezer CO:COLLECTION_SUMMARY gel packs and shipping containers to keep samples frozen during transport. Once CO:COLLECTION_SUMMARY at the site, samples were frozen at -80 degrees and batched-shipped with dry ice CO:COLLECTION_SUMMARY overnight to the biorepository. CO:SAMPLE_TYPE Feces #TREATMENT TR:TREATMENT_SUMMARY NA #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Stool samples were homogenized in 10 μL of water per milligram stool sample SP:SAMPLEPREP_SUMMARY weight using a bead mill (TissueLyser II; Qiagen) and the aqueous homogenates SP:SAMPLEPREP_SUMMARY were aliquoted for metabolite profiling analyses. LC-MS samples were prepared SP:SAMPLEPREP_SUMMARY for four profiling methods as follows: HILIC-pos: Metabolites were extracted by SP:SAMPLEPREP_SUMMARY adding 90 μL of 74.9:24.9:0.2 v/v/v acetonitrile/methanol/formic acid SP:SAMPLEPREP_SUMMARY containing stable isotope-labeled internal standards (valine-d8, Isotec; and SP:SAMPLEPREP_SUMMARY phenylalanine-d8, Cambridge Isotope Laboratories; Andover, MA) to a 10 μL SP:SAMPLEPREP_SUMMARY aliquot of stool homogenate or plasma. Samples were vortexed and then SP:SAMPLEPREP_SUMMARY centrifuged (10 min, 9,000 x g, 4°C) to pellet protein precipitates. SP:SAMPLEPREP_SUMMARY Supernatants were transferred to glass autosampler vials containing inserts for SP:SAMPLEPREP_SUMMARY LC-MS analysis. C8-pos: Lipids were extracted by adding 190 μL of isopropanol SP:SAMPLEPREP_SUMMARY containing 1-dodecanoyl-2-tridecanoyl-sn-glycero-3-phosphocholine as an internal SP:SAMPLEPREP_SUMMARY standard (Avanti Polar Lipids; Alabaster, AL) to a 10 μL aliquot of stool SP:SAMPLEPREP_SUMMARY homogenate or plasma. Samples were vortexed and then centrifuged (10 min, 9,000 SP:SAMPLEPREP_SUMMARY x g, ambient temperature) to pellet protein precipitates. Supernatants were SP:SAMPLEPREP_SUMMARY transferred to glass autosampler vials containing inserts for LC-MS analysis. SP:SAMPLEPREP_SUMMARY HILIC-neg: Metabolites were extracted by adding 120 μL of 80% methanol SP:SAMPLEPREP_SUMMARY containing inosine-15N4, thymine-d4 and glycocholate-d4 internal standards SP:SAMPLEPREP_SUMMARY (Cambridge Isotope Laboratories; Andover, MA) to a 30 μL aliquot of stool SP:SAMPLEPREP_SUMMARY homogenate or plasma. Samples were vortexed and then centrifuged (10 min, 9,000 SP:SAMPLEPREP_SUMMARY x g, 4°C) to pellet protein precipitates. Supernatants were transferred to SP:SAMPLEPREP_SUMMARY glass autosampler vials containing inserts for LC-MS analysis. C18-neg: SP:SAMPLEPREP_SUMMARY Metabolites were extracted by adding 90 μL of methanol containing PGE2-d4 as an SP:SAMPLEPREP_SUMMARY internal standard (Cayman Chemical Co.; Ann Arbor, MI) to a 30 μL aliquot of SP:SAMPLEPREP_SUMMARY stool homogenate or plasma. Samples were vortexed and then centrifuged (10 min, SP:SAMPLEPREP_SUMMARY 9,000 x g, 4°C) to pellet protein precipitates. Supernatants were transferred SP:SAMPLEPREP_SUMMARY to glass autosampler vials containing inserts for LC-MS analysis. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Shimadzu Nexera X2 CH:COLUMN_NAME Waters Acquity BEH C8 (100 x 2.1mm, 1.7um) CH:SOLVENT_A 95% water/5% methanol; 10 mM ammonium acetate; 0.1% acetic acid CH:SOLVENT_B 100% methanol; 0.1% acetic acid CH:FLOW_GRADIENT The column was eluted at a flow rate of 450 µL/min isocratically for 1 minute CH:FLOW_GRADIENT at 80% mobile phase A, followed by a linear gradient to 80% mobile-phase B over CH:FLOW_GRADIENT 2 minutes, a linear gradient to 100% mobile phase B over 7 minutes, and then 3 CH:FLOW_GRADIENT minutes at 100% mobile-phase B. CH:FLOW_RATE 450 µL/min CH:COLUMN_TEMPERATURE 40C #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Plus Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS Raw data were processed using TraceFinder 3.3 software (Thermo Fisher MS:MS_COMMENTS Scientific; Waltham, MA) and Progenesis QI (Nonlinear Dynamics; Newcastle upon MS:MS_COMMENTS Tyne, UK). Metabolite identities were confirmed using authentic reference MS:MS_COMMENTS standards or reference samples. MS:MS_RESULTS_FILE ST002471_AN004034_Results.txt UNITS:Abundance Has m/z:Yes Has RT:Yes RT units:Minutes #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Abundance MS_METABOLITE_DATA_START Samples STL40001 STL50160 STL20014 STL10240 STL10562 STL50315 STL20316 STL11021 STL50425 STL40635 STL10896 STL40673 STL20497 STL20112 STL40455 STL10793 STL10956 STL20672 STL40720 STL50520 STL10191 STL20117 STL10877 STL40535 STL20481 STL40511 STL11080 STL40626 STL20539 STL40521 STL10860 STL40555 STL20522 STL40014 STL40593 STL20185 STL10458 STL11073 STL20276 STL10575 STL11057 STL11122 STL20136 STL40229 STL20378 STL40017 STL20644 STL20654 STL20630 STL40716 STL40691 STL20653 STL40701 STL20648 STL10603 STL20292 STL40244 STL10762 STL20184 STL11041 STL40554 STL40595 STL40066 STL40180 STL40437 STL40280 STL20461 STL40571 STL10915 STL40539 STL10884 STL11089 STL40487 STL40040 STL10705 STL10836 STL10590 STL10279 STL10263 STL20631 STL10811 STL11040 STL10126 STL10405 STL10177 STL10022 STL10180 STL40177 STL10037 STL10323 STL10504 Factors collectionWeek:4 | PUCAI_C3_WKall:inactive collectionWeek:52 | PUCAI_C3_WKall:inactive collectionWeek:12 | PUCAI_C3_WKall:inactive collectionWeek:0 | PUCAI_C3_WKall:moderate/severe collectionWeek:0 | PUCAI_C3_WKall:moderate/severe collectionWeek:52 | PUCAI_C3_WKall:moderate/severe collectionWeek:12 | PUCAI_C3_WKall:inactive collectionWeek:0 | PUCAI_C3_WKall:moderate/severe collectionWeek:52 | PUCAI_C3_WKall:moderate/severe collectionWeek:4 | PUCAI_C3_WKall:moderate/severe collectionWeek:0 | PUCAI_C3_WKall:mild collectionWeek:4 | PUCAI_C3_WKall:inactive collectionWeek:12 | PUCAI_C3_WKall:inactive collectionWeek:12 | PUCAI_C3_WKall:inactive collectionWeek:4 | PUCAI_C3_WKall:moderate/severe collectionWeek:0 | PUCAI_C3_WKall:moderate/severe collectionWeek:0 | PUCAI_C3_WKall:moderate/severe collectionWeek:12 | PUCAI_C3_WKall:inactive collectionWeek:4 | PUCAI_C3_WKall:mild collectionWeek:52 | PUCAI_C3_WKall:inactive collectionWeek:0 | PUCAI_C3_WKall:mild collectionWeek:12 | PUCAI_C3_WKall:inactive collectionWeek:0 | PUCAI_C3_WKall:mild collectionWeek:4 | PUCAI_C3_WKall:inactive collectionWeek:12 | PUCAI_C3_WKall:inactive collectionWeek:4 | PUCAI_C3_WKall:mild collectionWeek:0 | PUCAI_C3_WKall:moderate/severe collectionWeek:4 | PUCAI_C3_WKall:mild collectionWeek:12 | PUCAI_C3_WKall:moderate/severe collectionWeek:4 | PUCAI_C3_WKall:inactive collectionWeek:0 | PUCAI_C3_WKall:mild collectionWeek:4 | PUCAI_C3_WKall:mild collectionWeek:12 | PUCAI_C3_WKall:inactive collectionWeek:4 | PUCAI_C3_WKall:mild collectionWeek:12 | PUCAI_C3_WKall:mild collectionWeek:12 | PUCAI_C3_WKall:inactive collectionWeek:0 | PUCAI_C3_WKall:moderate/severe collectionWeek:0 | PUCAI_C3_WKall:moderate/severe collectionWeek:12 | PUCAI_C3_WKall:inactive collectionWeek:0 | PUCAI_C3_WKall:mild collectionWeek:0 | PUCAI_C3_WKall:moderate/severe collectionWeek:0 | PUCAI_C3_WKall:moderate/severe collectionWeek:12 | PUCAI_C3_WKall:inactive collectionWeek:4 | PUCAI_C3_WKall:inactive collectionWeek:12 | PUCAI_C3_WKall:inactive collectionWeek:4 | PUCAI_C3_WKall:inactive collectionWeek:12 | PUCAI_C3_WKall:inactive collectionWeek:12 | PUCAI_C3_WKall:mild collectionWeek:12 | PUCAI_C3_WKall:inactive collectionWeek:4 | PUCAI_C3_WKall:mild collectionWeek:4 | PUCAI_C3_WKall:mild collectionWeek:12 | PUCAI_C3_WKall:inactive collectionWeek:4 | PUCAI_C3_WKall:inactive collectionWeek:12 | PUCAI_C3_WKall:mild collectionWeek:0 | PUCAI_C3_WKall:moderate/severe collectionWeek:12 | PUCAI_C3_WKall:inactive collectionWeek:4 | PUCAI_C3_WKall:mild collectionWeek:0 | PUCAI_C3_WKall:mild collectionWeek:12 | PUCAI_C3_WKall:moderate/severe collectionWeek:0 | PUCAI_C3_WKall:moderate/severe collectionWeek:12 | PUCAI_C3_WKall:mild collectionWeek:4 | PUCAI_C3_WKall:mild collectionWeek:4 | PUCAI_C3_WKall:inactive collectionWeek:4 | PUCAI_C3_WKall:inactive collectionWeek:4 | PUCAI_C3_WKall:mild collectionWeek:4 | PUCAI_C3_WKall:inactive collectionWeek:12 | PUCAI_C3_WKall:inactive collectionWeek:4 | PUCAI_C3_WKall:inactive collectionWeek:0 | PUCAI_C3_WKall:moderate/severe collectionWeek:4 | PUCAI_C3_WKall:mild collectionWeek:0 | PUCAI_C3_WKall:moderate/severe collectionWeek:0 | PUCAI_C3_WKall:mild collectionWeek:4 | PUCAI_C3_WKall:inactive collectionWeek:4 | PUCAI_C3_WKall:inactive collectionWeek:0 | PUCAI_C3_WKall:moderate/severe collectionWeek:0 | PUCAI_C3_WKall:moderate/severe collectionWeek:0 | PUCAI_C3_WKall:moderate/severe collectionWeek:0 | PUCAI_C3_WKall:mild collectionWeek:0 | PUCAI_C3_WKall:moderate/severe collectionWeek:12 | PUCAI_C3_WKall:inactive collectionWeek:0 | PUCAI_C3_WKall:mild collectionWeek:0 | PUCAI_C3_WKall:moderate/severe collectionWeek:0 | PUCAI_C3_WKall:moderate/severe collectionWeek:0 | PUCAI_C3_WKall:moderate/severe collectionWeek:0 | PUCAI_C3_WKall:mild collectionWeek:0 | PUCAI_C3_WKall:moderate/severe collectionWeek:0 | PUCAI_C3_WKall:mild collectionWeek:4 | PUCAI_C3_WKall:inactive collectionWeek:0 | PUCAI_C3_WKall:moderate/severe collectionWeek:0 | PUCAI_C3_WKall:mild collectionWeek:0 | PUCAI_C3_WKall:moderate/severe 5beta-Cholestan-3-one (5b-coprostanone) 140975 212663 277556 90699 1989235 401655 9479760 1293 61093 41713 14410825 8552121 6514724 102228 48203 124681 9860938 7356157 2739966 4504288 13 54395 59832 3192809 353634 30084 2496 20259 16800 23702 8475146 8844806 67429 858 10154148 8201 435981 467557 225643 1422 608 20357 11723 74851 736318 11038585 7441 23325 216759 9055679 7995511 1975189 441 5697051 30506 104838 4321 6901 2475721 3782683 30781 108610 156295 27975 28166 19650 6965 1514617 52369 12626 122458 94389 1084 97239 8241 240 35922 44540 11378489 5837 16261 20695 27892 76489 3590 161 1800 7-Dehydro-desmosterol 17215 20685 31767 12026 19556 16840 25586 8859 14208 14323 14137 14015 17901 16952 11351 16273 18796 14487 11977 16962 5677 8858 8929 13205 10634 21049 20467 15640 21336 30821 16933 14752 18876 18725 18223 25310 19049 18305 56578 19030 18086 17723 20214 10442 32733 32062 18552 27744 16867 24040 12115 18819 14290 13445 30326 18838 34838 17405 18991 20031 16716 12873 23837 29536 18410 11682 14705 20030 36785 26445 26927 27745 39005 21156 18429 23326 beta-tocopherol 145628 160412 258225 6181 82022 89215 179630 1570 4125 27918 305949 345200 154836 76044 20352 7437 445501 247666 174760 406864 816 96782 42409 165943 164026 65833 8392 83884 42134 24715 44018 91107 180665 605 231560 39908 14196 210997 134415 70 1619 67751 10105 151006 210615 129190 35097 262 163697 48077 441890 373637 38836 4471 132136 87106 280117 15618 17067 42170 214142 86489 56726 17498 46755 83925 41824 61270 98645 1555 41319 331928 17343 8375 10362 50661 421 34083 170281 97382 20753 109045 36381 139949 189440 2120 2462 Betulinic acid 422 835 2511 479 504 768 6580 480 628 668 3218 4149 958 1475 323 414 11848 3808 1809 6607 260 138978 1042 111248 454 303 3543 63 75 6852 51 4300 250 16 35 233 51 34 2812 4086 61 102 570 111 476 198 119 108 24512 269 376 65 C24:0 PC 22947826 21602428 22452554 28219570 22152284 28062532 18805280 28005142 38842951 35793519 21245480 17245306 26645492 25074922 21159824 24993686 16443897 16048194 23202625 20190673 18646661 23155225 24293632 20483158 21169107 44944378 48106908 43585036 28679584 46181850 27330648 29679324 30681747 55321353 29376014 55846441 49375913 47966017 32027011 24457933 50439167 65019715 29330328 41523747 24204938 35388551 55186150 39197407 73763120 41356329 47719610 28956674 30084803 34059085 67976385 33833277 24910537 20763553 41350537 48021847 15344521 19200547 33801055 19257704 44534209 44808793 27988800 33105791 48803345 37103948 43293405 46043504 26753680 39268631 49437359 62281383 28747116 45468696 56197558 47126790 25926503 47186350 39755779 64478089 57978477 27510452 27642002 24828869 39267736 60809926 59158107 Campesterol 64562 35621 21329 1857 25732 25719 1171508 3023 6343 32556 4512103 2397746 597853 12523 2766 1899 1422662 615395 348456 693072 1833 3574 5205 263083 82320 31748 2996 19946 3091 23941 551976 438593 31494 1737 1217028 2040 23239 9878 53831 11779 557 1828 13637 7898 39009 126103 1446484 7962 2234 18926 35921 1707670 930581 193287 466 173633 99248 50022 2989 15553 172130 345889 26065 12996 28148 2154 40212 10899 7044 285256 1293 3156 11437 5671 3334 3015 1031 6414 2109 17348 32488 1315753 815 2003 5185 35041 110014 29518 3634 2044 2632 CE 14:0 18559 142 15011 27245 50950 26397 40856 3725 5739 21466 1796 5828 1727 9262 19238 9634 2550 11028 4956 2451 17442 796 15353 41537 21983 10240 24046 10304 141300 3021 30651 32454 25015 12207 5041 31339 21644 29386 568 11283 21420 3340 2162 7670 25074 19395 23970 28152 3513 19102 19464 25436 27522 8499 11128 69411 461 52242 74070 2111 34371 80043 20359 16559 32757 9022 41680 1930 18500 14466 23314 20527 26250 48371 49725 3682 58018 8287 14828 2761 45564 44133 CE 16:0 312605 39790 309011 784438 1054261 433568 402855 1706 319078 228710 244560 34431 93687 217613 166260 493478 272571 54885 244620 172369 241 2247 195341 284395 60754 557154 1222402 282924 69583 133409 189468 1183501 122559 558661 139424 6734 271083 844722 157773 711199 1337864 619614 39853 183517 386289 103469 139339 80631 145438 860453 274845 599360 39917 353865 319925 233946 353589 306647 251371 213389 35872 217009 623602 55140 703703 1035984 87567 193311 280328 636715 865564 509549 194896 15522 842151 475957 789497 321446 473880 104762 430239 426822 505761 49775 105133 605475 163054 86929 265589 624949 818665 CE 16:1 77173 21650 68497 233781 306187 144580 145160 2594 116792 73931 83232 37290 23290 19703 36674 194223 102080 7418 40828 33558 1259 27995 53090 823 209010 510615 163537 2168 41903 168272 724090 23395 297130 116741 7890 148186 154952 49379 339442 813644 371956 916 170606 157386 45608 41453 15800 97286 143183 84189 194964 118386 187436 147246 177296 131942 112707 129377 5494 70045 546496 12298 361271 348157 38984 173436 125935 269465 250214 341554 76263 843 470170 198024 387033 93689 487071 62086 51366 319625 300082 17713 70053 653582 6410 6090 49994 497623 344772 CE 18:0 941641 474470 681098 206865 312396 238200 943163 279418 242713 281106 244855 285416 330348 221419 111373 515808 244290 405196 638374 698 39857 134906 648564 241134 912886 265080 808554 117550 233196 203655 259887 361225 65108 689731 4824 124949 350931 413036 883460 123174 161541 114490 374821 658225 494313 625532 82511 8352 1097617 403889 876459 125603 445648 150414 342075 356456 461937 365340 126704 136442 344819 275177 231162 250944 661891 388608 383812 707321 332754 162734 341096 805608 137519 139118 9916 261001 179627 130197 226805 791342 587587 374309 1249 257378 439892 640952 341753 91144 149285 202214 CE 18:1 877612 268712 1186285 2216095 3243602 1218288 1213354 15011 861356 601759 916057 172249 255442 537715 314474 1632309 698567 267129 582824 593399 21932 35483 612444 867297 314598 3495603 4083056 1313508 111126 457748 1011638 4042853 439072 2251399 891710 77179 1179129 2099034 451275 2558333 3700967 2405733 188850 791299 1291376 448909 639629 272158 567219 1762713 992444 1739100 83805 998518 1428395 1545278 1320998 1157742 1266877 994449 106618 709355 2025051 175046 2693186 3053936 512469 873162 1346035 2342743 2832978 1959405 859122 40947 3354648 1494608 2446134 1206080 2060937 664012 1230468 1301706 2240330 139840 674630 2396424 426183 383386 1044737 3106736 3371620 CE 18:2 733126 303753 1752676 8599544 9192844 5162617 2038626 75612 2632205 2024740 2853237 303729 287606 597933 866040 6954388 3127262 182043 556679 725525 24466 36746 2320688 1555034 283588 3465581 13134128 2255124 209485 921320 1494494 11283290 574384 9481709 1085386 96672 3412064 5191361 456356 4971576 10250142 8945244 183164 1888428 1801570 479364 807813 352580 2559814 1810939 1856079 3379484 68983 2014901 4235117 1054008 2457303 2616989 1579636 2869813 65362 1928558 6712131 221014 7732412 7768276 497568 1793267 2673401 8428053 8856204 4952263 1137404 249465 11363653 5409274 7288599 3994042 6290138 869131 812450 3827389 4409039 389849 1660919 7448376 208706 432904 1390422 7325114 8272457 CE 18:3 63166 15276 170688 428882 417269 249014 205148 151839 108256 179104 34816 21695 45832 69859 347281 134302 32690 27157 61874 11504 150340 105410 55355 458997 483659 154481 32497 19598 94190 853830 17395 265694 55538 451 155290 285969 25410 188243 306873 227987 76374 111691 182240 26453 37226 54749 32915 71299 131200 202093 2157 185543 70949 55132 178907 141652 71495 114606 9583 81501 582701 38673 415038 701647 33672 164515 175653 245752 214239 279753 72490 35837 527892 67085 195910 158142 455097 84788 43186 244697 255608 11504 110340 862298 25214 28650 239334 313993 248340 CE 20:3 329052 203611 457256 254776 1011046 128070 261077 336 266792 336219 1434096 104085 114845 325532 8228 192942 320802 58378 188629 340432 509 23048 583567 569511 220022 1505131 614450 726318 31725 119537 575905 698124 95055 249252 521660 4203 838871 677152 919944 1032201 407876 628008 34475 327042 924751 258041 377584 10077 65087 774752 629877 666072 17512 327746 310014 421024 423126 387150 873020 164811 44417 191036 420825 32062 706145 1426507 368662 249696 742461 299156 298517 895835 270525 388981 169408 265465 304693 315973 1060006 408560 443221 509639 18293 379312 421086 253791 208072 232392 727517 455256 CE 20:4 81280 28521 462048 2789848 4345490 1565625 349281 11800 467611 353947 515141 4048 19736 117475 82206 1439711 566601 15189 74369 66877 1054 1836 796305 615379 46486 864434 3676046 490095 9015 150243 448281 4018777 71396 2403593 157054 27750 701180 1404579 142641 1425639 6992723 2029224 13873 250335 472822 45524 215359 78995 624727 299499 391549 824991 3170 408329 1009269 275356 538371 727078 403782 615791 12701 363672 1834025 14732 1828070 1836731 69569 231743 314430 1813956 3421161 1774461 208325 102133 2607607 2802442 3309026 514443 1984162 239717 91050 1214265 1560844 66917 304567 1995712 45203 28513 359171 2383796 2291316 CE 20:5 3434 289 8260 102278 172952 105715 21006 42865 20276 54784 168 537 1386 11762 72466 12300 1113 4173 971 15857 30370 4605 37815 123602 27627 2570 4393 206348 544256 1983 84021 4833 22835 114797 521 38822 281505 71378 6348 13683 20180 5484 30525 19422 6868 8250 39893 26351 770 57424 12150 3960 64107 45473 21033 16073 13817 85703 193400 2567 140456 194494 2669 25390 4511 67002 69949 77553 6485 18735 145354 93462 520050 30224 122641 1223 9771 51554 110851 185 6039 199008 7257 494 7090 154383 104309 CE 22:4 37994 14637 122012 102943 320642 21881 72594 58143 153124 42904 935 4983 78019 5974 65272 27033 8173 13804 17477 44672 128264 20750 234940 276317 82973 11835 57416 30723 6719 27946 56292 280 62851 36357 31461 491760 96498 76775 47918 116515 13719 26769 26782 13276 159916 117623 261639 36101 122733 133392 99503 56572 130950 43315 609 34787 56732 999 66149 378573 8586 33260 106721 113491 146397 299300 23438 49154 71567 19062 107043 39412 100237 114086 189584 2084 31011 77157 20969 16612 64019 50091 388992 CE 22:5 33757 10468 221833 74646 288606 27998 75224 38806 51250 28994 671 5590 26711 4223 51085 50142 5194 10218 19108 15478 89852 4195 307818 170397 68420 21877 70951 49925 16790 33182 35690 78515 18607 6975 393735 87013 51594 1046 20788 163532 12098 24456 19802 2507 98598 64871 131911 25400 74901 79372 54378 61541 93504 14465 2100 34694 44934 990 52623 512934 5069 32843 100545 55519 92031 186730 15023 52595 9683 69354 15655 67060 23124 67553 40582 146502 3834 90546 6668 4322 56705 71736 198777 CE 22:6 5180 7091 219238 340201 655206 147618 32820 22676 16550 61454 4614 16637 27126 20798 171079 85271 20191 12756 17004 40392 69624 9998 105729 389676 49051 5893 23488 223246 655133 13231 124507 43097 641 50993 394764 12727 294679 736595 201494 32800 8557 70360 1944 170178 27742 35974 12437 47755 104166 43921 90097 49838 35026 121362 72241 29750 24760 193489 83499 7822 145453 440173 19799 988 20915 102999 321370 223706 36764 41940 236045 307224 655471 52854 103371 22448 35099 45215 245868 21574 174544 23517 7043 85899 201315 390432 Cer 18:1;O2/14:0 10875 10541 18742 9809 13072 6070 17380 33 6389 3975 5247 541 1601 21159 6078 16256 9541 9706 7693 15734 104 3344 11920 66685 42052 5344 15444 8675 4543 16714 28338 9571 62947 9893 22420 127 11386 17305 4294 81755 4970 9883 4002 7058 71697 5431 1669 11370 80 25517 9755 68902 25601 24026 4795 20599 26769 43416 19684 7177 889 26226 103325 7083 8267 27798 1593 23735 40829 11263 7930 12714 12406 5682 5263 2258 4889 8576 3071 9318 88269 44872 25778 359 749 27524 34584 27782 32410 9944 4925 Cer 18:1;O2/16:0 143578 144706 279251 311332 287609 131936 188670 18955 322484 176973 71513 26581 38466 712302 316569 1087393 153301 108520 190006 239432 811 57823 453999 1437917 658124 176945 619195 208788 64167 240218 874371 285035 561080 207690 163690 32270 240156 463477 101898 1634398 238164 322246 89189 136248 1282542 87557 71932 382624 49189 613371 211418 926064 223327 435691 162167 412654 778282 690190 653858 277985 81611 480566 970398 190484 241709 1193877 50772 247500 719220 351695 465606 446208 254513 188945 187549 78101 327689 200372 111718 128707 703593 474755 986983 36828 67501 895981 728108 358730 1107130 369680 197836 Cer 18:1;O2/18:0 27080 12863 54227 17123 67822 20488 120219 832 54673 20941 9133 1785 20165 173573 39154 51989 32279 62132 56134 204544 454 354846 194555 249506 60656 35599 72547 10057 24030 338255 145907 69635 10137 61653 1038 16102 52667 38306 127297 22261 17566 25475 82298 303166 15305 3516 33369 4894 91200 72701 322426 58003 72956 37421 425682 355451 116777 63393 71271 51235 40445 125725 66060 33658 225200 9558 73542 173794 89208 42329 46073 46099 7545 10989 15678 82364 17510 15245 51995 119873 150973 52850 530 2502 87413 50134 101218 93051 12508 52441 Cer 18:1;O2/20:0 1968 1388 28978 5752 20044 3237 28653 149 8099 3495 3417 1093 7465 51475 6126 16151 1552 18334 13494 49473 419 60422 57964 55763 5221 14286 11508 957 8278 66310 21082 42342 9543 25824 9847 19633 11488 41846 6367 8627 2950 4549 88701 5012 97 10790 267 21205 13558 69799 36275 39398 8210 93314 74712 17628 16848 10152 7814 13907 65556 38942 9771 110315 689 21062 59869 30383 16576 15530 15763 1145 4123 2910 14087 5261 3577 20377 23827 49484 25267 34710 17427 29577 31417 4121 14388 Cer 18:1;O2/22:0 22486 16455 117180 78788 57756 35595 103965 5268 55999 35029 15948 3829 16287 224901 73140 140821 9538 34561 51044 100787 1923 113103 244674 146766 25381 99802 40793 12738 37074 185979 65699 140710 60604 55906 4287 53263 121083 36608 239992 48486 73651 21276 39934 266697 42630 5163 85869 7843 91838 51025 262473 83454 211788 39752 143498 207779 95752 153636 63836 18889 78825 196956 78675 71615 481877 10073 92670 221509 135570 111617 83925 66732 30504 45094 14118 56645 41205 26889 74892 100014 113926 210594 5165 10287 181919 91518 126572 141846 67813 50540 Cer 18:1;O2/24:0 35644 27990 117794 160054 62094 56633 97008 3688 64486 74245 40677 11669 14606 209236 89203 240675 25720 43949 69338 129794 7617 115890 380910 213010 43802 222848 53379 19063 42377 269990 107466 148869 95064 59195 9656 79481 215582 46759 492188 112652 126468 28225 64448 274500 33289 17130 155295 13092 136862 68456 303664 71737 226488 60458 126531 246809 216310 282022 107106 23784 158550 298063 73984 133828 548523 15852 122461 228793 192429 204559 154824 86760 68071 83817 13947 94472 71686 49406 65970 134988 112069 398945 7148 22940 288228 140293 128463 214402 136748 77252 Cer 18:1;O2/24:1 23985 39612 101033 224495 135196 87162 78967 5798 104338 90346 55219 1910 11769 501583 251857 1008602 43580 45082 57522 133762 15788 212557 1167004 358784 41144 373306 48427 23645 53923 608758 124154 114357 76247 73748 10803 105141 329802 39198 1171479 230363 190733 21594 39299 243250 12629 18625 214672 28052 240203 68077 647055 101576 368310 82894 192496 234143 306380 289679 125066 29433 388377 362118 57155 149281 1004743 10718 79367 230075 360431 377861 171717 76296 99333 156886 56142 174586 75890 88482 48577 327802 238373 450038 21864 25204 380634 427373 213736 389411 145292 142252 Cholesterol 431771 754516 1547386 371365 913357 553984 441918 20495 242313 136676 37575 34366 129757 303512 167350 492378 18717 58025 78435 180349 489 192324 193982 159022 299489 428858 322830 431201 181797 720904 137898 295625 1085149 104224 95540 12313 258211 387411 702926 1093033 280865 194173 306705 190260 1853437 509966 29720 238369 20874 370432 280674 362261 124587 258200 87737 478088 691420 1377659 379288 408280 126959 170192 885843 405716 255862 793745 370029 491085 362841 326507 488304 864630 1239841 211377 207839 39966 677066 223955 81859 406470 810754 40491 637149 26697 283347 599319 441975 474482 461958 195033 195784 cholesterol b-glucoside/galactoside 492362 221911 413295 102155 104045 114063 255974 102282 333882 223451 180979 123621 304603 272745 100338 100140 46689 91762 105642 103319 74084 427032 120801 232499 300211 738414 116661 584051 377258 404337 238720 127136 427415 64853 318047 2121 138816 70004 813947 582229 103500 70081 312905 123599 1074482 224834 106237 172733 15002 459466 214757 116363 177493 189821 35715 67947 204845 224820 97787 80945 64260 147692 299497 277144 87440 368501 386628 903680 571434 200653 194176 145260 424563 125065 67111 5671 159302 122774 30387 334011 849142 95308 87498 3488 326612 249286 892182 536625 39515 34776 41971 coenzyme Q10 1892081 1081560 2283673 767830 2080867 1734234 2943336 26247 809653 916709 2673534 1473065 1004061 1206112 409126 846014 3638763 983325 1501122 2671418 8033 214076 936840 1374196 938444 3498564 1184668 2304271 593241 1264948 1581932 3102300 4306548 471687 2671636 9350 753359 283841 2858796 3888050 316733 536357 637089 1609168 4751774 1621874 1206555 557429 23573 2945498 2267700 3504929 20039 480335 716877 2871866 3283788 5006516 704687 1380637 123054 630538 2250742 1306787 1118094 2327957 1778321 2027278 1138158 737344 656951 1115585 4771749 627335 809993 32520 999920 613031 199987 1247433 1420193 1166935 1401194 12609 2363600 1722961 488088 1465807 410543 742177 796577 Coenzyme Q9 481155 871271 968313 64891 203627 431994 709537 115256 1117512 544110 542070 280188 720756 91589 47037 1470734 429848 568031 1752339 2191 213609 287039 249803 369578 280224 234459 304260 786560 144104 98653 87237 684353 6500 983388 141665 196016 582399 491531 22899 443432 351361 119550 750716 824070 540546 70623 1423768 264123 940906 746478 203057 31286 274944 555141 831271 92451 227567 94443 186255 300524 662861 62765 137218 424599 310137 273415 672175 32776 186553 904173 277587 71881 49395 570089 5517 335513 821692 216394 97004 148717 252878 716279 1261736 3834 1456 199757 delta-Tocopherol 26101 13496 40776 571 7665 6525 19420 384 820 21587 19399 13283 6819 3914 1521 30036 23255 18398 28751 4978 3425 16033 17985 2835 17937 6967 2977 1289 6701 19365 10706 17 1054 1411 22646 16226 8411 537 12336 20218 10093 4190 22232 8029 47926 25715 5443 1175 9641 11357 26295 1228 1328 1436 19199 16045 10888 253 6666 15687 6853 5791 4780 11 4791 32853 2745 286 539 2550 31 4248 12526 8914 2508 10664 6378 19621 24311 809 496 134 DG 30:0 56796 41290 39956 127341 30065 119975 58138 31036 39505 17255 57105 61364 64893 188736 1106509 121911 93594 93437 81449 64410 6106 1632597 25435 46835 36115 72079 81447 58446 252776 239536 239542 154895 131582 73781 231462 13071 118657 96225 128374 28508 97769 23804 218503 34346 81813 269750 49956 57693 35753 42610 1997217 29740 80657 169466 22637 84682 78989 91174 107363 54956 89622 110787 72903 12453 77279 32927 78322 72466 59040 3629351 93324 47390 111544 51618 50124 12367 48316 575637 34568 50940 44827 68797 182785 16343 67308 347954 92227 56684 48291 111414 21204 DG 31:0 79209 48158 53107 69451 31205 96854 51480 34722 16555 19353 48922 45279 70547 507090 343501 147784 132491 143661 126509 105699 6625 9648 21448 56902 49671 38783 54414 76658 73538 383784 466668 180888 309220 27324 301607 13272 73578 79979 226023 57190 182999 32325 300428 18867 62871 423102 71484 43205 43257 57681 64090 57678 21763 59563 26822 153828 125504 158322 377422 26020 116388 238304 119291 25029 104765 25566 150101 31762 46920 83926 118338 51629 300643 44769 28662 18637 114891 64846 43890 49799 24837 94212 264849 14788 39622 120470 179075 40363 24761 103098 13092 DG 32:0 73318 88873 75142 476709 101404 195008 135567 14512 141141 63159 119472 98969 141037 98069 753734 555444 115465 135941 156710 102063 7851 180811 112985 183171 103557 392583 913760 252140 164077 625682 333603 471517 458892 565793 292862 104639 366081 469263 181949 192289 980273 134337 373363 135050 273548 229548 90740 189933 132136 193772 484497 96052 150890 580344 198498 381295 180784 386285 195916 482285 410091 267128 209073 340429 567972 79989 238720 414182 102163 2121889 612748 448734 371076 694500 389217 61179 404087 533655 226861 172916 140724 162405 1028189 191050 271649 837120 358930 238918 243815 503609 224237 DG 32:1 134606 95014 50584 307012 17931 136144 52000 5086 41933 29041 41846 84436 74738 49957 1345458 106112 39656 91068 92704 48644 2485 438051 16487 64147 36435 277185 215065 144120 436973 142218 134770 195256 55244 48258 362011 12161 97255 269782 57143 40237 391110 11355 137753 109357 112246 166467 36451 203237 64091 68407 1435694 39115 137301 281585 26136 182442 170685 73303 101461 148339 191666 130310 49419 719977 196514 45064 102264 509131 61986 130267 305842 43489 117438 1361208 169828 12133 147956 645183 24438 92401 24653 84037 492590 13648 156358 578752 75876 115590 73619 479326 10625 DG 32:2 97407 88810 34864 114397 1459 54341 14495 1114 6134 28429 12403 75288 46053 21603 756307 25570 11978 69401 51701 38343 380 366490 7141 52992 26302 75554 84359 84112 645595 34920 39810 85064 19245 9508 159419 574 65003 186782 21802 18994 76159 683 95621 51090 51774 58544 8003 448700 25147 38327 243757 26614 163908 189395 8413 71971 66188 15321 26747 61776 131894 72879 13345 183871 117153 7645 45211 101003 15564 73173 157680 19462 57565 214165 46931 472 24214 618437 3500 42990 32855 38438 206674 341 101053 253083 68496 113355 41701 205878 231 DG 34:0 137397 172027 128150 433134 188055 247715 173113 95011 173829 523001 163981 181165 232477 115197 695895 454622 146597 173262 350130 119272 60153 132137 160809 241183 186493 568318 762665 381647 364356 440993 466850 692185 549763 781306 242301 228478 867308 658083 225620 245421 1187053 250014 493361 233612 225553 261838 158041 496354 199568 261907 301052 134810 375276 698767 357965 476438 365818 2122867 218312 432761 271269 287288 240976 373900 407887 93964 358897 328359 221902 1565028 541625 486750 261134 465360 381128 139756 417474 503496 277419 306389 191712 209167 795295 392868 346019 1209387 352735 231653 374100 509844 358665 DG 34:1 1634979 1076113 301299 2245871 133572 1479286 437955 13975 307468 489185 361570 2076070 1745918 656276 9017529 1061210 356185 4905967 1186225 671744 5124 7933256 246253 930707 3074000 1735857 1806116 1291137 9043573 1154180 1576276 1109923 738236 269949 818975 42816 555943 4091037 528453 302570 2828478 118404 7578263 703975 842871 2774707 729673 12457570 351458 544305 2265675 454535 8853146 3337183 127880 1585185 1432301 593863 809780 878661 4377776 2063565 707666 11977665 3091425 245937 1209052 8749181 297034 1113963 2551195 664931 994762 19779784 1426121 99132 1369159 2762650 163852 715230 1637282 295155 3773405 79903 615935 3708241 3099478 5259564 415125 2496237 56982 DG 34:2 1497770 2015193 355258 1682135 36857 1058321 269325 21106 134699 1295256 304397 2946975 1988838 841769 7328339 558307 304069 5861023 1437147 870989 2451 4363382 298501 1357099 4766596 1103741 2380249 1637855 12430486 742375 1628469 942910 1544849 161178 1129620 27691 802979 6658611 924864 355232 2046430 131327 7308727 901471 614761 4163684 1247994 19522684 319249 491541 398047 828143 13728519 4560593 80323 2335241 1726913 410656 1180920 854078 5414161 2978168 770925 9673067 5247292 137520 2390793 3309817 426872 1261669 2545600 1566530 1216598 15965645 1194142 55808 845131 3911525 122971 1461726 5153736 269908 3301002 71193 503374 2181405 5811609 6619947 497198 2040403 33480 DG 34:3 159765 195748 56509 133803 2187 67024 11818 1151 9587 71728 160374 129604 81199 70453 904402 50136 16194 190466 149257 74152 633 3538261 25462 139717 867603 133336 177077 132806 1912995 34155 96952 121436 107829 5489 71110 183 114376 390912 126881 20283 173220 2386 508081 90543 30351 133736 45006 929981 30954 37156 88673 60756 903540 213031 1626 217886 136476 90571 87214 99679 783182 164950 39104 2077558 223303 7429 217613 429893 23783 79859 235650 128909 131482 3031087 76358 120 54527 315288 5080 165420 184216 24836 236660 117 53845 226269 211881 302560 141572 315631 371 DG 35:1 31725 53651 6361 80884 1341 31084 14154 65 20956 3214 11765 20031 20859 41042 150708 29936 33004 49496 49810 10640 19693 1251 17242 27961 107741 29569 25520 126003 26618 45503 64027 28237 6305 56323 188 17113 57384 16105 6555 84383 479 97834 43573 4167 74521 12187 314948 1910 11286 10458 8094 81885 55980 197 33283 31433 13262 12232 26411 38394 57246 8423 123529 31847 4673 26450 213571 19735 27050 50718 8809 35481 430614 32425 44201 59981 294 15537 11186 20200 139747 17632 76668 40272 47473 6556 101309 DG 35:2 37650 27668 13887 55538 290 25466 10760 184 2155 5503 12237 29186 14227 21352 261283 16975 18515 69294 38185 12076 73 235568 2323 20594 57499 43069 29866 18500 469161 10732 30368 40929 14370 1603 29911 4913 69311 12192 4013 58891 133302 16336 7328 58891 7515 632303 772 4631 24399 7083 229932 46465 23219 31143 9937 10955 21476 88186 40014 2447 267853 32373 4748 21675 401792 4051 24533 47027 8527 12088 1029866 19582 21602 68454 188 15060 46391 3262 100806 6296 72401 53124 66500 11668 66906 DG 36:0 289492 520320 354339 279100 258882 417375 223856 256356 331653 1762847 206419 220690 301041 222000 321030 305677 239265 197351 558086 208656 171265 87078 248656 255988 216327 754009 598770 472486 320577 453093 503939 682776 1229634 687023 506598 476776 2308255 733967 390283 465013 662622 505711 611319 450867 250846 350761 378568 745283 520828 460740 211263 193277 441131 552480 476517 412603 652005 10480660 383318 542823 178345 307762 360901 307110 392475 228503 607723 404735 913902 1523767 570136 601527 304444 456875 706748 426935 324799 704089 395602 781947 184802 319269 409928 469482 378907 1891398 393649 200525 527083 428852 390162 DG 36:1 821133 252243 117895 1402659 48881 678235 130739 10680 118572 182706 156593 1568487 830053 205685 5872172 599657 134375 1961399 632433 170490 231 3155366 110900 306452 1634699 703945 794680 413397 4590157 273988 502401 462128 330654 152546 202574 9641 261241 1528778 173073 118056 1272530 53863 4969548 316271 294018 1121642 196651 6821960 126610 392462 789599 148521 3918452 641015 55230 356374 660396 360990 173447 414455 1483975 1012154 224577 8589554 823476 67106 368343 4179790 110194 843422 1649026 220865 417362 8752910 792032 19973 1016407 890423 73633 165857 406726 122878 2328426 41242 211933 2441230 887298 1462766 214444 1337947 16320 DG 36:2 6368899 1715071 265944 1963920 71195 2682806 377978 30535 126918 923782 382818 6317893 4606386 970926 28362926 753864 239046 11906008 1835783 1682219 5146 13197389 262424 1232111 8812644 2975255 2587185 5609666 32011668 985423 2947928 2038213 1072652 279026 1143208 52222 749283 7243192 888038 339155 3389395 148552 20237092 1468102 1273316 5853556 1424724 34774516 622050 719495 722682 856839 27043106 6762867 136864 2539687 2700670 638218 756618 1230049 13756595 4793645 1439894 25912793 4854654 202488 2227673 25457591 429999 2657652 4735051 981282 1290093 42222850 2233183 175244 2138283 4102092 173610 1604160 3577749 201831 4989046 112721 638633 8600585 7789959 17162216 2665745 3861330 59861 DG 36:3 4823895 2063201 169523 992712 31048 2155252 362309 805 44302 2288215 391686 8143953 5506320 1054333 26382565 573634 207293 14389308 1655757 1938854 99 47315396 422783 1834735 13647464 1938087 2950779 4135554 36992576 540561 3316508 1550660 1567060 125245 1776341 19927 1580124 9659277 896107 376513 2324828 182941 20170885 1237991 709992 6939757 2534909 43154837 595257 489698 2036647 1903682 28408925 8614204 62794 2365902 2447730 346268 1032974 916590 12764322 4832712 1400436 18087393 5518898 122848 3269377 8124615 450842 1471529 3193876 1831781 1124651 30341069 1358239 48552 946311 11785716 112715 2940869 8033914 143609 2919896 38788 284970 7838715 9849829 15325723 3449933 2628927 21601 DG 36:4 2585190 3196463 219347 457032 26620 844303 375207 5060 70529 3528902 758741 7451157 4285084 1378127 11038559 460473 289646 6518925 1954674 1540264 894 53600429 537455 2407315 13200469 1422462 2992469 2298146 24005805 480060 2393337 1281542 2832980 91770 2357541 9259 1682165 7330990 1349787 509409 1198167 291051 9881541 1718937 448514 7353567 3466472 30612752 340459 355657 2007518 2482054 26111128 7091257 41471 2654060 2469649 310331 1711736 912023 7934136 4388298 1011852 11450280 3982749 199034 5077133 3843763 558749 1513969 2085594 2853614 1641700 13085888 1011754 28004 612146 12496146 120599 3695413 13176694 211541 1897215 45665 289588 2846424 7600656 11556372 2508335 1135413 14668 DG 38:1 96226 148207 29067 76662 8460 101949 23734 293 2617 32812 212841 291998 95450 59405 562998 50126 35760 784882 36242 37161 887 256006 5555 25149 341940 87911 40331 70704 351956 3741 37444 15636 45775 2622 43613 15414 70011 15642 17724 38111 518217 17184 132738 273658 19319 4264939 463 72856 69323 33464 328311 49793 28062 25524 26908 2276 27920 109750 100377 15788 2814255 115938 16412 22608 836775 5225 85311 78700 11861 51730 2563183 41092 53758 76908 281 11824 97363 7407 104003 70930 328520 211565 700007 14638 53060 720 DG 38:2 122988 66963 9081 259155 2176 186647 14449 75 3816 51154 19354 277122 157450 41371 400534 120815 16946 1837275 106314 36370 112 126567 22957 77324 504334 118150 215985 150757 892643 10453 131050 77128 37248 13857 48627 42052 478321 34420 11337 205313 4298 601530 44702 35737 432867 45177 8638482 27592 38722 4129 30434 868099 290785 686 197336 66201 29897 16686 102020 249009 313023 32343 1927402 216962 3691 67105 552608 3674 72518 525042 61271 36487 2229892 126090 228077 111365 5387 41678 95980 2569 426109 4665 19097 434785 650862 1564803 55585 171105 DG 38:3 61212 67409 13734 607038 2274 168303 12405 3612 13367 35060 30678 84243 67020 22903 234600 155055 25342 1172603 313680 36076 578132 36885 231128 333536 62663 356002 82164 339379 40296 124467 124404 60024 19368 44596 39013 987098 28747 15714 506198 5549 215323 35387 5989 188781 38226 5317238 36884 17104 198498 44929 470168 215579 189 95316 164253 62308 39329 127346 125865 542436 26525 429739 243438 99311 85492 3118 368603 858646 107516 32781 447061 279114 476 421091 214348 14469 49459 47580 4650 1712419 5500 16762 275422 838205 431503 58674 630535 DG 38:4_a 4021 4766 22983 588670 8736 171391 510 14713 13888 668 34654 684 7763 6196 51965 114823 35733 13116 366173 10021 6654 29291 253929 156942 22370 666537 1351 275 74056 185653 437181 52159 69297 27760 11124 3204718 23228 37219 1418038 17401 12880 21696 5135 3436 33963 288116 110282 16512 148506 37766 852 22685 50762 363165 271001 51531 293124 7355 1322839 14601 8411 307520 18047 7111 922139 2294297 151541 89257 15643 490660 11314 1535355 65872 43871 2358 10740 23449 3061542 7814 45552 108986 330914 13474 10577 956982 DG 38:4_b 12492 18937 3857 140905 1325 39572 4715 4101 11190 15172 10236 6012 5027 131284 108522 6536 127829 58368 7558 247449 26740 86385 93651 75019 266223 21708 48176 12102 90632 85525 25287 6596 5773 20612 288988 6920 9764 514657 2361 32607 57942 10798 17343 8692 646228 31666 4927 51321 35204 85787 79313 200 70615 74354 49447 48613 149156 124315 178117 9747 43033 193603 156 57201 157687 2856 200383 568091 108214 26097 70442 116072 152956 143123 10417 17186 38025 7798 568077 1262 6291 445764 64603 35433 93539 574997 DG 38:5 586 140 171706 3216 78531 340 1388 478 15206 1273 147 101584 244177 1281 986 43966 48 53279 168334 105931 17991 648103 1655 4334 3686 165379 214711 2770 13132 1396 5747 313469 26439 514553 6985 1649 26716 2285 3327 4280 183784 79731 88 95134 34777 334 70965 30908 88511 63057 28055 450087 18927 203363 4452 59385 340688 6188 52047 462579 699530 175140 12208 58877 192956 325780 134059 3562 2132 8762 5203 852099 7075 405241 27532 1359 117830 692007 linoleoylethanolamide 1456920 67054 3118786 62068 7418 22062 578403 158 299532 308880 9594 18208 35100 241749 420206 101523 1408 4945 4998 7042 1995 38948 56337 16751 11278 1705899 107889 549024 31220 763566 61823 51423 404492 8291 70674 15909 949012 16784 10696 15184 6778 6980 182483 404680 211513 20635 7151 61357 32912 337504 173913 101866 74839 246480 107489 142415 36321 24933 246654 495659 28288 12729 65835 50046 153518 343839 42680 1178165 1159836 469698 118662 221530 11823 215402 93037 290 7417 84462 43882 185269 31741 45463 165610 1433 378376 295437 35401 147790 118942 1218 46480 LPC 14:0 52 86 107 28565 53 993 71 381 257 1327 18 40 23 40 11388 23097 867 1595 62 82 259 893 30 68 211 38784 68 17106 5684 34 653 84421 34020 6549 5884 441 2531 7442 333 5124 33 646 6833 681 54 1590 88 3245 19000 614 794 19914 1345 122 6106 12468 23083 135 1312 27444 382 5082 4566 44 23 36260 9819 10758 6079 282 32865 21027 12111 LPC 16:0 44841 71142 76963 7758866 163768 851655 33851 656699 379181 741584 87500 111485 14116 184749 2136862 10175586 41967 64951 209108 12106 9915 353273 1029114 133185 352052 223480 13126737 107662 108758 89029 102703 1838399 109818 2039025 38226 351618 6422681 11065483 54418 62923 4567782 2628318 289736 633754 38793 5500 88927 2630810 627541 6094 955125 181947 1731747 1482234 874794 139438 1307768 250348 985366 4164845 24366 431959 242249 68629 5066819 613236 68307 74644 165551 2712468 7303305 7293313 73161 604908 6442321 959957 483697 2276165 2399417 207777 463498 20733 13792495 1418685 1229869 2143003 188911 152483 3885731 7424650 3178682 LPC 16:1 21196 47170 37308 46066 6833 12321 16730 6311 8543 12490 12206 251540 128594 17689 38679 49965 18865 83332 73018 22520 2495 32075 19933 172522 46937 29852 65978 7266 206 25067 17070 35349 67090 4242 2526 427 3718 100234 56937 61562 26763 3654 128320 4696 1177 1367 21558 37912 3441 8399 30975 6073 137905 9766 485 183288 137594 3160 50141 67325 29270 330398 109116 49948 39309 1120 114503 22366 94 13445 27274 33975 149862 22610 29025 1112 26737 5175 6393 27187 13428 49401 20204 63799 4458 197452 221781 21024 66483 4626 LPC 17:0 889506 847606 843434 1387350 903803 1143060 744389 1048472 1475925 1435667 871758 673321 1020744 997522 929821 1356851 630896 620929 926195 784667 675864 985985 986150 818751 811261 1569471 2108833 1569561 1047082 1596890 1089627 1287749 1083489 2161572 1022262 1970876 1853698 2151262 1416440 896765 2036691 2590227 1203883 1785028 897221 1295974 2099970 1607750 2853568 1497308 1797844 1123604 1143656 1361024 2526834 1326219 969651 800022 1902800 1923006 739350 777256 1218758 840545 1848497 1667411 1108773 1289387 1887794 1468727 1749115 1976507 1007941 1579538 2105822 2248701 1045118 1845355 2170424 1727444 1100183 1795786 1969212 2396161 2126449 1108256 980101 895970 1621963 2532083 2212395 LPC 18:0 19420 32647 61982 7860379 423514 1251905 57136 393339 323900 659750 242900 55302 5786 104078 1325391 9544343 49895 19282 130174 4884 7658 200295 1067894 160647 446771 123269 10532782 127334 96445 39808 155913 1021587 47697 2053371 32274 233889 1861702 6560105 28524 85848 3763334 2912186 122543 457784 66486 1346 52976 2002202 414101 3115 455485 336084 568828 883576 876510 52716 645809 159920 888890 2364755 16287 526379 169890 45215 3254440 726139 18290 94809 210462 2753796 5794639 6814590 42705 540151 4602653 288380 674397 2164111 2115733 74013 241166 19042 11578584 622921 660821 1939507 100870 25191 2080279 4051061 2931581 LPC 18:1 12252 30011 11048 1521488 19971 146336 8866 39966 16403 110294 21720 91713 12937 23409 1468366 2310348 12233 21685 64690 10445 4786 724344 244655 31693 131144 22470 2473998 9529 137244 11309 16553 508673 15653 143235 8053 39093 2695273 3880309 5696 5612 710547 189679 253679 83941 2264 1939 15868 1936908 131741 2725 242715 25572 2129397 685757 90308 27099 200515 28423 152248 1317143 7473 90535 14618 8122 1612041 28666 16126 6810 11720 668396 1319344 913711 13270 109067 665551 22946 62565 542781 171648 59951 81580 1363 1302895 151930 103392 194024 46117 133452 160998 1663687 309589 LPC 18:2 14829 19478 6164 112377 1762 11112 4544 25880 3129 43624 1632 105926 5063 27028 622041 194223 1913 10505 15267 2408 51593 304868 42930 14889 27704 4850 178082 4719 32607 5118 3049 473886 10341 6549 1894 1496 2391922 884317 3337 1461 25987 3829 97246 14335 1890 3084 4187 452420 5126 3729 47932 9930 860029 343451 3138 24690 52809 6806 41659 166805 6133 10250 6642 1035 163840 3316 21015 1053 2980 58545 60580 87602 10802 16345 62117 411 9324 51443 6335 27323 98289 1109 72797 15645 41934 33275 23107 69056 15133 81054 8975 LPC 19:0 219 533 505 20204 1581 3196 685 839 1371 2181 1475 365 279 591 4272 30959 313 148 531 926 29 784 3770 978 1721 406 17818 456 677 287 695 2654 286 5408 600 557 2670 14824 327 429 8762 8871 335 1734 447 98 429 5124 1171 223 1632 1912 2695 3151 1940 217 1905 775 5788 7030 204 2547 1160 237 10369 4279 197 597 911 10375 14751 29398 432 2338 15196 548 3223 7666 8617 1413 695 367 22951 1102 2938 6664 394 65 7791 12000 7411 LPC 20:3 15804 34553 22853 3336638 78475 421239 17043 327766 179856 333867 48692 55472 6819 84552 876513 4328429 12650 28376 80303 5125 24590 161241 491340 43078 171814 55064 5340409 29095 53473 24015 24769 424306 37194 660199 19292 107620 2101312 4527049 8439 24644 1624805 865512 97004 148784 10001 2046 24212 891309 201755 296 331790 75127 803048 506263 280422 68766 597553 188647 301000 1318407 2738 205382 122896 19284 1751588 184341 18003 14578 40143 883604 2779840 2618480 31671 222384 2233293 293162 153916 699115 794067 89483 335264 3482 6040409 475489 405510 829946 72646 72798 1363607 2913278 1119488 LPC 20:5 6097 10361 2211 51293 3983 1370 132 41 19262 438 59022 1681 12483 294521 100068 961 4428 6360 413 361 155403 12226 6612 14590 1509 126738 846 9419 901 724 300051 5154 305 168 45 2184518 556331 21 10723 467 51557 6223 1219 370295 1356 607 25554 5142 596685 289242 8013 37747 2581 30063 112678 1078 4271 1649 104462 8435 592 43583 42092 72840 5661 3675 35969 278 226 29022 2419 19544 41108 58056 6364 23339 9324 15132 54108 3742 41350 3501 LPC 24:0 1630 9755 1574 711213 3819 63622 2224 15135 673 42863 4850 35656 537 5510 600084 1052164 2189 6268 24879 692 1002 275149 113642 9970 50520 3125 1057545 41630 517 264 91636 5437 53131 904 10232 1244240 1861605 109 537 316993 74593 83620 12541 97 199 177 731838 49680 104177 4608 932757 301068 31886 10475 86882 7833 52266 564697 20987 1032 700438 5021 369 481 288412 589447 379239 3806 36018 284519 1096 22395 190134 66698 19660 34948 607518 63225 40065 67688 15866 54453 54833 776990 132442 LPC O-18:0 7328 1799 6901 1297838 269098 310002 11307 29069 33545 135626 306617 2035 3003 20786 338069 1933983 11071 2380 22195 9968 1222 1004 290542 120924 299173 15562 2367455 17574 25751 13938 58490 141068 3223 557103 3061 37065 164858 1129119 1177 76565 1228919 935906 6158 75698 7533 140 13866 700660 75728 2747 75490 216557 4102 224628 208301 4516 144001 66347 281161 404812 618 354887 74970 11813 544291 135740 1136 68118 88900 464849 1245636 1083550 10208 284368 945772 17656 416266 575133 625597 3278 117213 9942 3813717 51213 118321 626761 91355 14324 215237 366324 900107 LPE 16:0 55333 7648 128346 226228 4469 56204 20863 11668 8251 34586 16067 10508 3881 230220 325430 334515 4497 28820 108354 12057 27898 53771 69989 103723 33157 266040 61216 15088 112413 68322 49948 36254 35474 56944 40883 490932 292285 67998 79749 214822 97464 208224 44316 13090 4861 29514 150584 40954 37 101727 27415 46422 85629 70811 175127 209875 101504 237295 39397 62301 106299 147162 72880 135756 264817 27847 4914 32704 141710 197473 190106 113866 57320 66700 1632 24672 115816 71695 66313 61338 5141 508419 6722 33869 156976 72920 13742 11520 194859 125549 LPE 18:0 1496 4561 5719 1454705 59771 123317 6761 64227 28507 92072 42344 4606 659 17590 234240 1425927 6094 4671 42017 992 6143 200761 25192 70872 8964 1384535 12428 5846 8198 32311 89460 10415 256896 6634 34429 142311 1173730 31376 10218 657267 445536 9463 60225 5313 236 12881 288812 79729 374 53019 66562 9802 93869 131301 4397 74273 43220 101057 346619 297 102836 17459 3914 535667 70233 8212 23964 37481 520919 1287944 726888 21064 80043 610632 14487 159511 321825 327509 7460 32370 4108 1562767 70277 102984 248823 16477 2255 39643 591868 540741 LPE 18:1 1091 955 2694 54316 404 7645 982 2657 896 3310 835 3388 416 11163 66995 82171 394 2207 10445 428 244 12397 15337 13931 17755 4757 87400 2259 1098 2803 3390 7099 3413 6035 1852 6945 75727 195722 4036 1548 36393 7922 9941 1422 140 374 3179 77998 7402 866 13161 1198 44151 35796 3548 2896 14951 6191 7696 39945 7929 2147 49 79248 15431 48 258 2235 34301 57636 45987 3223 7710 14318 1554 1322 29386 9603 5693 2975 52884 1861 6222 11605 2671 2352 415 58766 13802 LPE 18:2 17 64 276 753 43 93 921 61 3806 90 1990 26110 1453 31 41 716 38 442 1207 359 1200 6708 12734 348 62 231116 104841 10 534 670 15 52 117 53857 203 25 2720 396 47312 64543 459 918 780 5172 125 30 130 28670 110 486 1317 1468 6969 757 1706 6018 2943 8369 1636 210 5691 12 3295 3413 4118 Menaquinone-4 728 2130 3978 786 550 3156 71 265 4836 5368 7215 4278 1332 3281 6258 2385 3846 8 280 900 2683 3477 543 2203 1806 528 2569 76 4148 10332 7737 913 1843 17383 913 409 1248 2881 1441 1171 12777 8403 4354 64 1660 711 7708 7334 4916 1989 801 715 15392 397 76 1893 674 5101 955 528 717 3917 MG 14:0_a 3126 2061 1950 11478 2181 3281 4049 2053 4969 5207 1550 2098 2879 3307 254390 14309 1330 1514 2112 2295 727 95536 2595 1943 2214 12335 26195 13729 36187 9214 5360 3855 5362 15287 8554 11100 16783 7437 5457 3310 9436 11497 8373 10157 10798 10970 9267 16047 15724 9135 256703 5374 7708 54166 12601 8349 5120 4569 10222 35088 2574 3276 11354 2797 9488 10558 4962 20037 24526 16099 10013 16110 4323 7916 14677 12082 4834 390989 12176 10284 4097 7728 8938 12979 14348 444430 4741 5582 134173 14435 19088 MG 14:0_b 14243 6841 9459 18939 11126 9366 6814 6937 11587 10859 5641 6440 9091 10651 169103 13215 5785 7128 12181 8536 3908 110948 7458 10730 8493 78666 74892 78281 32823 71338 41515 55084 40731 144963 54638 62778 71871 67871 21085 10627 34391 39750 28392 27349 13104 23723 35001 31700 51069 26176 295288 17508 19112 72172 56982 40668 20330 27859 35261 44848 8116 14700 38206 8992 40182 34489 23156 34043 34594 48399 33912 39382 25639 24731 54328 59048 22550 253951 47283 37525 15070 37612 69012 75760 84614 121772 37885 27972 174645 72475 79102 MG 16:1 61328 10601 44801 16830 7424 9559 15110 5301 9148 8854 6245 4834 8858 31744 50533 15409 5730 11302 24116 12367 2682 15459 11504 17123 20397 23507 27639 35509 27210 71310 30325 14826 28496 32134 52211 26720 31507 21888 33841 26844 32471 28870 255667 12840 15035 27290 28117 19466 36701 19703 43692 14892 14775 28047 35110 105830 32449 34399 50191 23736 7634 33349 70688 48432 21946 24837 14006 18931 23921 22629 22651 35482 61353 22385 27809 35694 16256 32908 33437 43631 14171 19603 35347 33944 35097 92152 45884 19977 63689 29860 32336 MG 18:0 638441 389491 250068 1841500 537024 233773 225561 155296 517946 335149 206878 207513 219903 284819 843040 1103203 99423 299635 284022 122734 58079 890474 226954 724808 637809 1980564 2109305 1066945 824933 1012269 792731 1375768 617401 2833720 413590 630584 2403021 1695410 343830 261414 804366 736259 908067 446720 240691 324021 254674 1186181 390464 317926 718577 357225 807757 1397847 965691 1043531 1117684 624060 846877 976686 191484 405397 374964 2182067 587139 229743 359337 1372696 304898 821685 819636 1356174 253733 1104372 2168998 596830 523774 950034 501304 638094 296289 356324 2911418 1209245 1273146 1988765 940624 675434 4705969 1521440 1274839 MG 18:2 2168892 625805 55966 574321 17619 218373 309734 2939 65511 5487879 48632 1466939 615757 628205 7151448 1055268 30588 1192861 309484 112483 303 22897087 322282 476838 1830792 983463 2917291 2008113 12017155 83045 906002 2785163 414983 63316 232361 37679 3923268 692537 268262 122084 84392 332189 3638261 2252642 178566 2105883 727658 19347776 173299 250611 1417302 976008 6329496 4930230 103571 1022575 300360 103236 3061535 1652854 2659471 921598 817316 5398613 1881574 462236 1774980 3032202 700235 292334 303818 3269099 220456 4243986 1197932 26757 73925 6893378 59065 3257854 5383345 483706 282390 177969 354792 7409146 1281916 4829068 7427763 349807 39049 PC 30:0 5928 5599 10892 495010 4903 62495 10169 1235 32996 24747 18528 1770 1985 7029 56688 206052 44367 26582 39619 4774 79 7762 22390 9728 13303 6489 234153 7827 9169 4734 23937 108338 3307 50416 14062 9345 36018 450924 3235 1266 190073 86297 7355 45494 2318 533 3137 82341 28764 1488 39001 4892 134 85850 21006 2564 31927 12265 97251 162809 320 112668 63804 366 238020 13368 9653 3030 1130 136822 248391 343899 2335 20101 49664 8752 40811 90811 121779 7446 18060 4478 556358 16292 66084 68278 12423 3295 2578 252571 33698 PC 31:0 5965 4494 54577 243036 42682 40495 21840 7339 8716 55587 40917 44362 7452 32054 142437 14106 15569 21725 16472 38 11 33287 21074 30925 1824 107044 14643 5327 2016 240428 40249 47661 26024 39775 1889 15076 243406 72819 5224 116798 64650 3438 14567 16492 595 24228 42148 10348 1324 27205 28789 3140 37242 9988 35730 29002 74763 49852 48762 6333 93282 43311 5045 81822 14387 28533 1324 12 81623 119675 127150 86124 13108 22569 1008 43757 50124 54752 15267 40441 5194 275832 2309 43056 29696 48789 31700 2426 138969 15835 PC 32:0 77107 56673 122670 8525419 248988 1054527 89373 47767 745035 815671 475077 42893 74684 116580 1337733 5997057 182655 37065 416965 34264 690 137080 1118859 361770 527205 109381 7271196 103266 153652 69161 691608 1112980 51117 1285211 98118 283113 683349 11658354 77058 175058 6856224 2784565 119185 433080 37026 6433 83910 1730888 747076 22454 616181 300909 46500 705251 840056 45769 568290 324352 1294515 2868019 8747 1729666 519717 23199 3851429 313003 94266 138701 97309 3698028 8629757 5858481 68804 432381 1555433 337992 2970184 1911235 2446225 78617 326869 73713 10340260 492163 638666 1450724 203946 39306 298970 3486857 1583982 PC 32:1 3603 6070 4937 771359 1818 66490 2192 1610 6474 14171 12364 6777 7012 1980 78466 146874 17486 3743 65785 2254 13377 21958 8274 11880 5099 103520 14 3858 2021 6830 292011 3563 9000 2621 1003 3970 896995 1090 19 222816 18826 1001 13219 804 132 1996 75579 34210 40950 192 173 13538 2398 1043 42001 15824 25781 189965 92 44432 8046 204880 760 1927 255 114956 189965 233908 1517 5323 3561 2695 36485 32177 59995 110 6852 722 287118 635 7765 24475 8010 1336 460202 1220 PC 34:0 13378 24222 49359 2680435 93376 354789 27358 851 50271 192377 144742 15963 31659 33883 381052 1954693 54521 11263 88856 23151 12 2863 335208 111775 166296 6849 2260922 11058 28654 7503 94757 226849 1807 373482 3916 67156 123750 3436994 3927 47697 1774660 868365 10858 109967 4457 7855 625589 137007 395 94296 67334 564 111808 209601 3687 124706 84522 278887 859730 1074 553541 82994 330 917509 50459 10109 19801 12544 919833 2303366 1539268 9003 82399 589776 11629 869636 527966 740032 3042 106885 9652 2933532 126876 118802 394286 51338 3685 84692 808486 452605 PC 34:1 48685 174612 248228 16443602 44662 1622943 57349 75415 125430 351537 197061 126277 109259 89236 2095711 2956581 221527 80298 1467496 30345 404 1188962 724728 250817 363453 112029 2089325 90887 273038 143234 424055 4847351 310195 270728 130267 103336 188425 26342316 185347 52202 4972188 386471 173823 236432 38420 37488 294877 2448505 811619 20237 1068024 154473 145589 276875 174222 76456 1041243 559997 339034 4491441 24255 1158880 190638 17652 4143320 65090 95646 75367 43897 2876839 4440120 3729470 178546 139419 180312 204577 866903 842240 871396 63107 413454 99963 6520006 93701 197123 464687 264792 120321 7570 7529980 183713 PC 34:2 51591 152856 128083 4173975 23697 525777 33571 50087 47138 88329 44491 120852 56962 88810 584504 296485 226692 69563 576460 37103 1059 604382 87979 69671 63946 214695 607173 131251 207132 170044 193552 17672983 449342 195924 127006 60618 103141 10300026 116331 35346 828803 76439 93775 70565 48251 36921 148859 356149 165428 29166 306991 79689 106826 75444 35565 95733 361791 313546 68753 1300577 16431 216945 78226 23639 797952 29585 74430 46813 33267 729650 633386 460731 108791 23450 33930 40756 81276 126079 99243 29759 396280 34582 769430 20381 39176 53653 62748 103014 4125 1422477 20075 PC 34:3 12087 12937 28351 3210683 99947 445786 17720 23654 334755 360707 165936 3859 3339 39986 484969 2349592 58662 1929 176263 3873 52 37025 468022 125362 176266 47232 3108850 34161 44243 19981 242669 663350 15525 540891 31168 109543 261607 5466096 17470 67164 3105506 1255759 43437 182739 7047 313 24361 730442 325592 997 231226 103646 10713 280060 361267 8905 229444 123666 556111 1306107 279 621617 198876 1983 1719881 118758 29330 45547 24216 1558140 4037240 2672522 16560 173199 714508 141469 1351597 823531 1132104 23948 123601 22339 4895101 217023 261416 626154 72871 9008 122878 1624781 736844 PC 35:2 114 585 1398 111690 71 9716 207 119 285 17448 4863 1714 429 26311 17 637 231 803 198 46494 1326 191907 8392 3541 3398 6580 4983 27869 2404 11325 7380 6019 6709 2717 21044 41107 PC 36:0_a 1525 3695 7849 203759 10971 33038 6501 17368 18925 13128 2910 7974 8622 17548 140675 4388 2202 10155 5934 51307 20007 14395 705 242619 1982 660 119 8403 22997 105 25694 616 11203 375422 156 7125 179462 89116 471 7047 326 485 37868 251 8001 2203 7215 83 9552 10015 4136 9582 5505 23385 80969 532 71049 9945 36 90650 3120 1029 4099 9488 138768 260942 122525 719 964 70444 133597 50845 70976 245 4108 3109 265871 2839 5784 56317 2264 25 6035 67128 35910 PC 36:0_b 1723471 55359 217101 121046 91319 185790 1172492 36740 328611 94950 82995 1307857 68490 142004 151269 86875 2243838 44791 1098315 571358 53363 262402 44626 79800 79514 78861 56158 199708 459194 454682 562804 17393 932421 1692780 841809 412003 850095 338728 415998 1675327 58351 255770 49460 425017 180286 PC 36:1 16909 42866 93474 6687025 16656 662757 40243 10605 16716 145429 110445 63503 82567 49464 836799 1122123 77301 32994 525957 27705 49 140795 344482 129643 167824 48836 893927 82583 83708 87133 223131 1571105 110150 94018 95506 20695 107010 9847540 72385 16791 1609995 164459 101719 83943 19160 17933 130731 823601 241953 3333 325431 123164 19489 98938 63140 68078 382763 266342 179120 1751189 14475 607619 163054 9238 1282862 19373 98853 32483 11711 1010496 1416700 1231647 171525 122965 54558 6260 334265 307643 261640 70353 138893 57174 3189538 26287 94388 239906 108395 35206 95 2166272 56304 PC 36:2 38115 80535 107949 5676885 18727 613312 43932 30517 24203 87398 57531 151857 54112 62718 876157 457325 158222 107330 670975 22691 98 1166324 207921 112696 134670 82261 276870 38808 307070 41702 89284 5218091 118849 60647 52067 15511 45237 13354523 104747 22300 1071171 86815 183381 64230 53334 38377 145705 907534 191070 16168 297031 102983 122843 64589 23333 42114 329306 342056 78516 2124448 57286 385986 77161 18594 940587 58565 55652 94699 38887 1062681 1174751 762060 135649 197077 36392 10951 159106 159861 144080 27964 167151 40089 1027277 14644 36818 85988 63206 104632 1447 1661185 25255 PC 36:3 13791 67147 30292 750034 10764 147509 16178 4322 5926 20378 17723 167879 23097 42197 276539 55556 49551 31393 229180 19997 847352 23320 35008 40942 19224 44563 14911 114719 17401 31174 1618204 59234 20261 24594 9463 16538 3743304 51393 34467 222199 18593 63580 50156 27699 28194 113846 272237 39095 12528 91300 41243 92635 71572 28265 41241 96353 104330 38614 439572 138573 108287 53106 13515 201325 23821 69595 31688 27560 141775 162648 126346 115710 11792 28895 16298 23095 43939 23852 33162 196506 36354 218527 14332 16555 31105 39516 247290 17824 669517 11607 PC 36:4_a 31663 363341 77441 375621 16889 174900 69426 35818 39757 857637 97230 517919 615655 142258 97417 340363 113665 2307282 34204 78546 123990 13769 36617 14076 322120 48510 86950 4869744 375251 22991 72242 20663 60673 4135503 103246 61251 73848 126 221869 41381 47752 64499 220173 214253 16188 25987 99583 118731 284655 326722 51289 325296 173846 308657 153327 380268 281659 125913 34794 64030 67188 12939 328437 46416 95251 58616 46886 46741 542510 28748 79208 68325 6226 205482 30697 177907 2397235 57642 51253 29524 72873 16494 119434 1188285 37537 106928 13047 PC 36:4_b 17699 49395 82586 5970871 16528 685049 11290 38705 57952 157688 73826 39632 31126 28196 678616 1247507 87128 19171 577996 3691 214 191830 248556 85855 96527 569959 763286 330218 237558 277259 1410369 40821657 773930 380468 369440 126199 137395 11610132 267190 84532 1380066 96639 104023 53845 99372 44112 498900 223006 69500 10620 214519 201861 41331 42793 25700 197785 208310 398832 59503 1174057 259327 401373 167506 16925 561112 197354 395979 33252 28864 410675 502160 203371 924847 5082 14911 3763 54972 116729 16134 53246 212649 75374 673503 24022 6880 39053 118623 1810257 263 PC 38:2 189 641 337 579570 43803 969 526 7797 2355 1449 10651 356 90194 131040 3434 43596 13 3454 23635 2822 6304 84406 602 197 5916 125617 516 2847 2543 23 954968 19 127494 5962 1052 536 83557 16386 14649 32 255 1228 2800 13580 10677 2829 194039 2969 59729 721 113571 251 224590 259454 170966 1208 32199 17760 14542 2397 356 160105 10387 334 116971 847 PC 38:3 304 477058 32175 1607 181 159 70998 24230 2619 54456 316 3381 2108 4545 846 29200 1501 441 421 6874 1369666 8048 133 749400 10251 519 60608 34255 29065 4397 311 9468 1469 39165 14671 12341 128 33033 32147 19616 28538 642 1273 38375 172 133228 PC 38:4_a 497 1038 1002 148569 14924 58 42 338 385 309 1726 903 25878 11687 1289 194 48149 3820 80 3744 2052 1122 1038 703 456 468 767 72579 859 521 333 219 210 217043 3884 1502 24658 2601 631 5276 2558 3356 2040 2747 3294 6907 36199 6077 11504 2179 10396 10617 5867 14623 39059 PC 38:4_b 698 1088 12940 2369332 148 238644 775 1093 1458 33204 22380 10088 868 413 214177 407050 16616 1723 175325 28353 100290 24507 34770 22490 20818 14095 9157 9394 15380 1454848 17237 10455 6694 4390 4228 4350593 77863 30113 494284 52138 12649 105775 51279 67279 40892 55066 66031 138452 725606 121819 230609 43690 208402 212821 117611 293130 782941 PC 38:6 3820 34585 43236 353179 1209 80012 2542 1004 339 7069 6542 67686 10520 19833 112331 28510 16953 9477 107421 2661 265465 13339 38761 25354 413447 598115 226283 86559 133272 366110 43076820 419065 171871 76884 22368 7386 5571455 82814 187164 868094 31835 40054 4473 533299 38182 6866 13004 18934 90201 4265 271539 280799 296092 246362 203914 11548 206099 9259 136290 263112 337604 103934 142844 343222 56596 100396 83438 1009066 202562 27153 110696 1748778 101333 PC P-33:0 or PC O-33:1 30352 50805 64560 11887 17371 23774 48314 20383 33800 40556 31021 54701 49294 23324 25332 31757 35622 41914 42230 15255 15295 81458 38347 9960 12151 91800 30891 136401 139663 27559 225640 5627 169247 115374 20613 91409 21978 10146 18708 89034 550 70791 25837 41468 35619 10465 23481 21778 133691 9023 91991 13258 74089 46359 58290 91320 289 9416 28887 137152 38006 64272 11289 84934 33518 20085 42075 44771 74205 177641 70700 17850 83992 37987 86645 3494 106511 36506 63804 42475 61522 39326 118 21688 116 PC P-34:0 or PC O-34:1_a 4056 11309 11278 6687246 33160 694027 8782 10742 40469 206060 188035 15384 6218 10333 1188978 3089246 78391 12463 414540 6655 122 270 642970 353940 421767 18186 2934795 15675 43080 27619 308209 687283 62747 395132 18746 119058 133003 7329145 41029 94322 3411773 831682 20493 148695 35938 13114 98391 1572573 451891 12320 287446 166311 4809 226029 179733 20965 337373 323200 509883 1980813 4429 1508143 120006 18709 2297453 46216 14868 22578 7789 2323847 5315321 3064550 57441 169814 346131 8642 1346594 900920 1041656 3967 338697 34344 5536850 54437 100852 564346 198730 16084 61741 1978070 604875 PC P-34:0 or PC O-34:1_b 19202 1484929 30407 186307 61080 131438 205599 783418 80322 213856 113838 118347 1318056 28144 279224 245509 79491 2013374 29317 98756 1149315 368767 35808 445913 15328 335 64330 108263 81459 19851 106881 147423 199063 431003 683633 30824 670440 10972 4104 769616 1571774 1166025 277716 1515569 261550 381164 79365 5360636 295684 6742 51807 645772 191273 PC P-34:1 or PC O-34:2 272 340 802680 71779 961 2809 8889 1264 15375 146710 106421 633 3657 117920 218 31474 34837 22586 1242 65394 1856 19557 93044 15976 3645 11169 587 581853 5916 174 165018 4324 405 6984 118 24330 76041 17879 38906 38118 4180 128 48222 47775 3194 139174 79308 101176 118 157 88349 88547 137716 3297 246 280 50423 6841 10281 400 8403 18508 300478 251 14987 7189 477 208711 1122 PC P-34:2 or PC O-34:3 4684 3137 21066 2309167 125512 315521 10375 14204 88381 199767 207400 2937 2373 20908 463773 1825674 38949 7265 198151 8926 287 347928 298919 258156 23101 2578392 16967 24182 18106 131187 283933 21254 550984 9512 83596 189331 3220622 3297 203546 2066514 1210989 89295 596 31367 667155 207860 5064 100755 199028 175261 288989 11460 159383 186987 578437 836464 620272 183812 234 1037655 127039 3594 68487 57185 1342492 2998327 1944097 14554 131237 773264 6803 1022158 544645 941864 1085 158733 28373 3732246 96653 130787 635407 100382 5291 388683 618721 969626 PC P-36:0 or PC O-36:1 1774 1129 1900 2658309 7616 283885 4323 998 6452 44858 55719 444 2494 2329 323445 793620 17058 5623 150936 236 47 1599 196025 98263 106521 1387 843662 1127 4293 3259 73902 140902 1605 116629 10417 20950 34709 2741289 19959 26271 1237953 254033 951 32057 15667 316 22564 508973 141403 606 90768 32588 79936 50813 196 115843 112023 115718 610489 253 437546 20172 221 674528 3899 493 19058 7133 458787 1168831 894463 1626 34126 83858 381969 243062 295517 1492 106972 3933 2074283 9427 18952 176033 71517 4570 21617 653575 200930 PC P-36:1 or PC O-36:2 668 11041 10560 3269862 2581 283877 2326 1226 50862 34926 6029 6768 1390 509600 554444 29618 3594 310356 959 44 4729 154665 101855 111116 206 573221 4673 367 18238 61514 235208 117110 65240 30495 4340 17215 4641523 25156 9707 845434 133234 187 23173 3347 4621 46405 562929 145976 243 127599 35403 35462 13560 1676 118929 164185 64667 840672 429656 28794 1183 620467 2963 6989 663527 930397 847583 21264 21097 29180 201264 145793 169741 17137 70421 9670 1056668 2684 7598 121558 57975 10895 3237 756470 87356 PC P-36:2 or PC O-36:3 211533 13368 35074 17445 287 767 52623 526 3508 1366 1351 4192 1303 36962 2278 221996 281 28078 318 3372 15832 653 5745 13966 18787 32844 15280 17659 17797 14003 23314 5952 40026 185 35695 PC P-36:3 or PC O-36:4_a 78 573 446316 902 43228 504 729 8108 4825 38 408 114896 88689 5718 1265 57156 2280 1360 34544 23565 27369 169 260974 163 276 217 17589 64779 119 24765 80 3694 4363 702692 195 3292 324175 70315 28 7005 179 78 2871 87226 24657 420 11205 6785 28 9587 8176 270 27029 22373 39202 188813 36 129000 2589 210611 1353 345 377 497 215084 525134 275747 247 5189 19554 821 129126 67869 94945 359 19112 350 537721 1640 3556 42904 7449 371 2553 179741 44229 PC P-36:3 or PC O-36:4_b 974 706 1456 1910055 1785 177793 3261 1224 3734 23474 25599 484 1593 859 236703 903843 23348 2657 109046 26989 728 404 173955 75730 79040 515 791408 495 837 658 53341 196445 362 75101 242 11204 13232 2130923 591 9984 983066 213232 86 21244 545 239 8707 264515 74775 1276 33981 20576 86 29074 24795 821 81966 67846 118880 572580 109 391195 7852 638682 4105 1047 1143 1509 652246 1592477 836208 751 15735 59299 2490 391578 205814 287924 1090 57959 1063 1630648 4973 10785 130108 22591 1127 7743 545068 134127 PC P-36:4 or PC O-36:5 7693 14892 37285 603087 18305 75721 28070 15002 20288 26605 28920 13282 16729 15339 117634 96508 33127 36177 125610 78309 9164 288 39041 35265 32492 47766 9124 298354 1142206 144225 14144 8059 18625 95912 27435 49720 54201 54589 196509 23038 65872 136089 145042 156552 180609 24070 16333 16309 170123 11769 240998 PC P-38:3 or PC O-38:4_a 521304 41975 1156 204 90461 56882 1584 63 44687 29236 17900 22199 79698 673 124382 997 181 552375 131026 576 771 133015 16790 27030 1519 725 20998 22293 1555 134977 76438 125057 78340 109568 160694 11167 18877 27114 5520 11 190098 16500 13830 337 148256 237 PC P-38:3 or PC O-38:4_b 24639 10278 12079 305450 2970 20942 3435 5369 4720 1452 339 21226 76659 48929 876 42862 319 26903 32782 32880 26957 25857 35004 886 7450 16347 46366 21708 1472 13182 15953 315369 5063 47479 29913 6774 13029 8529 40945 934 1008 33120 393 21007 951 10786 8831 6322 1146 55357 44073 30540 66023 121 33549 24121 6313 62449 28779 2421 24802 80759 45750 53951 44818 10627 4157 2756 7099 5811 19584 9126 74684 3067 97102 35 42909 25719 14938 183 11100 78894 3403 PC P-38:5 or PC O-38:6 12575 44630 20187 57534 2526 5259 604 31828 16011 21726 5846 27807 38107 18727 17381 5147 29912 8769 558 219291 8708 60517 148467 40868 18285 111220 103614 635 17879 131504 16657 78050 983 176188 58518 32704 11393 1868 78499 22069 38970 18780 226710 9908 15458 50205 4385 320751 101225 3376 33617 40432 7792 89994 61283 46207 35155 225339 60744 25114 150700 21473 53231 360079 12432 37296 38486 16001 8282 4546 2588 88426 62399 46700 82984 554 27828 2164 40084 10928 89847 107607 14023 22072 PE 32:0 78 1351 5515 4922 13828 6559 16215 3406 26030 2430 303 676 17547 4019 3267 1855 1321 4258 9278 269 822 14592 15672 5177 935 30769 2999 79239 2259 3519 3232 972 217 12069 13715 2856 333 223 1137 2727 3700 2033 1467 2250 16568 7721 1626 24690 26512 4779 3397 1550 33879 1162 568 3409 11155 30668 20907 477 PE 36:0 18288 3804 15040 271807 9875 34141 21993 7374 13591 27198 136095 7026 13210 54078 193337 11142 10404 30334 9552 1442 30676 17874 19046 2957 234718 4104 1524 4830 32348 59377 8335 68665 4867 1470 36931 544271 6383 5247 284154 131996 12285 39910 8998 3165 6306 88654 12812 39059 33947 17733 867 60151 17778 4407 38173 24760 99748 170401 667 93146 59364 35851 188251 18014 2710 4370 1579 136015 270586 277520 11865 16844 69894 3745 128025 112140 149189 4061 6625 4359 472150 6636 43035 61290 10479 1465 3878 260258 44525 PE 36:1 38304 2985 378070 233 25651 5640 1731 730 1430 603 3978 699 37249 11840 2537 463 73116 4021 3828 1280 6338 1721 11466 3438 7276 9893 8957 1325694 11395 152753 10971 12613 12271 172599 26635 29902 38588 67374 2008 82587 97433 PE P-34:2 or PE O-34:3 23235 42863 3288079 228264 598619 166118 33992 39211 1299201 128113 1253 2594 72855 116137 44362 273609 65635 7683249 122103 3934 1152636 4539 1729 7393 47215 411538 45010 37184 12279 216 2853 26331 250736 414738 25034 1403113 2637 373445 15738 33293 405701 63732 14441 559023 788227 118471 52447 1556 7739 10247 44102 4453 794237 60360 22872 620507 PE P-36:1 or PE O-36:2 2083 4347 383043 87 28663 12 990 175 150 47162 15162 2858 6866 123396 435 201519 239 28520 2602 33605 33883 37038 9454 67630 6505 4280 974133 21174 102687 556 264 34982 10288 47279 28026 32081 823 101616 31271 24975 68 53184 55085 10244 1898 1665 20666 446 583 150372 765 6532 11040 76878 PE P-36:2 or PE O-36:3 2434 6183 132942 12805 121 10898 782 821 5531 108820 1849 3634 23986 8119 26574 54309 1381 2288 472397 16263 30261 26339 13015 33077 50968 8551 96 10249 2945 15063 2144 633 32458 894 29 7776 Piperine 884 6207 523 243 13152 39600 136 7439 471 238 1156 82463 41448 86 30782 21756 10753 6168 8890 43518 18617 3806 27662 1893 29719 27898 2082 1585 7003 1409 2187 951 1270 4009 2746 947 1481 1385 2068 26102 35110 5208 1770 1486 68075 13533 80726 54206 5317 22399 3677 23144 6694 14357 1967 14072 6970 9874 782 1265 16635 34327 367512 840101 58782 10008 1814 1215 8577 787 10235 2886 2631 1001 9175 4472 6342 13357 5438 1196 2381 25044 37804 1186 2224 6019 2187 2439 Sitosterol 72455 224255 92343 1880 18086 50060 34732 16 31723 101494 7173 13326 28022 52268 18865 11240 8307 12243 19236 39528 14 70191 27702 15350 96858 103053 9757 93878 94392 28501 7642 34484 138002 160 26249 11978 2349 186110 35969 13651 78671 118375 222534 244163 4080 14881 114134 54819 52210 60070 23917 3522 30472 78659 62684 7098 30997 52517 11043 52724 49586 42450 75508 74226 140719 23500 33927 1637 13964 131132 31960 14558 2750 56471 2814 52095 161971 5266 6931 141824 43974 86824 118695 12885 14167 SM 18:1;O2/16:0 111753 44138 234563 9809420 1326611 2215696 286334 120391 868618 1207535 2137251 54846 70203 491939 2304260 8403552 527488 75801 921159 389309 3427 134731 1891334 4805368 2986859 231308 9494872 611725 164397 155339 1733538 3599201 227409 2800029 886310 388046 1120757 12524737 154514 11985541 9503822 4912950 122179 744051 1002464 14590 375261 3436492 790889 210672 904452 3194841 168293 1735793 1574574 133662 1356460 1788923 5602945 4103404 197617 5021632 1357449 173891 4499523 2252873 178661 494438 916623 6689864 10625604 7315304 528414 1261337 4461881 316192 6390250 2403516 2726560 121536 594015 472113 18842540 464729 859802 6954024 743640 185926 555504 4643534 5291823 SM 18:1;O2/16:1 1158 190 6592 378489 50142 152897 10474 1114 21957 53226 43760 1638 1811 3172 66165 254085 67571 42 15494 521 30 213 54299 69392 91780 665 419564 5086 485 1698 31793 270302 4789 96798 1394 4117 13061 579667 242 416470 378258 147989 769 20785 6719 855 112224 16866 16615 82166 49210 57298 29 46167 52583 118600 124135 120237 37875 755 199528 45079 4015 9373 271393 358537 170080 3473 27613 161394 7568 244174 89520 96540 22029 1669 476267 3066 19069 269110 5765 128821 159146 SM 18:1;O2/18:0 6149 1321 21282 683565 114009 215500 91760 4312 45360 90088 71436 4000 17412 127018 156493 315247 56770 12122 50592 120041 2998 322869 136967 149320 39480 492701 153399 4051 5570 63990 304790 63845 136987 269945 6793 30025 735868 35740 319387 798943 142333 22222 148661 169102 1188 1291 1e+05 37357 4910 200025 248824 4404 127563 108860 73918 141988 107636 262116 212021 32218 138497 110802 37692 367000 259018 59773 58523 84917 302141 431341 283242 110336 36825 233646 45324 493423 110820 245526 32763 31998 16402 490038 15922 21454 306061 25525 14620 31401 185937 446542 SM 18:1;O2/18:1 7608 428 6457 249147 72692 102435 12036 73 9735 13126 37859 2295 8793 38826 49557 107395 12964 7181 14254 21739 1249 16216 32171 20475 903 237521 7372 132 33291 120873 42357 52202 44672 144 5492 364441 882 111606 304612 47266 5461 7539 13265 28005 5423 2102 43146 677 46074 16360 14575 12857 47695 43679 206 53683 21228 9382 88940 38783 2630 2916 1506 142005 204215 89718 7367 6169 78324 6044 174852 32270 85873 19628 20074 808 150159 214 2795 89561 5361 4886 5105 63265 93888 SM 18:1;O2/20:0 1501 7904 9948 229865 19584 81539 9170 582 11840 14544 24292 6851 14730 11538 32368 107174 9969 5066 3419 13987 45 45120 37012 30934 184175 18842 146514 78758 13545 7117 236166 95309 186381 50734 24391 26472 32558 7253 26366 23428 21642 21536 1634 17106 9506 60364 53056 3079 47872 21372 123044 80199 3224 5536 20646 98434 142313 84722 17960 102373 17317 127144 43146 86818 148149 8408 5063 112752 2085 6123 84322 108135 SM 18:1;O2/22:0 4202 545 14295 837674 76753 320300 42578 12386 80454 81998 108304 10 167 37416 176643 506886 47112 3682 49076 42429 107 38804 141759 243167 152736 32072 992582 85429 8072 8042 65020 612062 25484 338834 71998 13922 90093 1070755 17868 548603 748568 314109 11253 145857 101572 5539 224159 35383 8018 102234 179282 4899 164061 119288 11012 122231 141237 463697 224124 9360 262174 174666 22677 515703 264377 40901 62946 101060 460924 641656 370577 114189 80854 419000 53455 410512 225316 322289 15228 55767 19816 1048565 59898 76381 666470 52708 10013 46735 510813 362505 SM 18:1;O2/22:1 8418 15779 313415 20440 132026 5677 139 14454 19970 42861 5568 16054 8625 48367 171372 19662 5503 11580 5358 206 30560 52441 32374 338 323610 40240 3336 26567 27613 295050 61204 125208 16863 16225 515878 10286 201322 324173 89973 6099 18211 1423 3645 7803 58878 2801 4484 49030 1336 35279 24544 9494 25012 69698 61484 42709 2849 97513 114682 1625 172405 42183 40261 4892 430 155704 195097 81364 105194 7671 146645 11055 176759 77202 94102 10374 6058 4045 232742 646 5050 173240 48245 11019 123633 105777 SM 18:1;O2/24:0 16366 15801 30403 1168466 77171 415691 51671 13537 111804 127465 196028 3168 15175 62272 283412 762584 84982 34491 107004 56606 22807 191616 427713 292213 53562 1488183 93935 44640 51994 91277 526423 141809 368027 82850 21683 194290 1444340 211921 899847 909134 461876 26340 212361 177695 12814 18794 360855 47309 21395 142971 225339 26371 210450 166523 31843 226781 223028 699427 280538 8870 419191 185370 30186 658904 304371 41676 78457 90717 598594 742747 570794 113301 154814 464635 47124 443136 270310 365001 39422 132220 26985 1327414 66756 112235 781711 97347 31799 55558 682058 446498 SM 18:1;O2/24:1 96511 57982 100162 3293578 318271 847907 54690 38895 298835 351600 552593 2224 5435 173051 933389 2930793 164936 21687 233046 55683 1540 46260 716334 1332787 1024859 105273 3692684 150081 92928 63795 422007 1488397 100109 1000209 117987 107678 367412 4833700 45248 3305050 4366731 1828700 62327 376061 228477 5832 80756 1290611 262836 60880 310464 805342 21202 605775 531425 36762 479674 718023 1899977 1492480 18258 1856795 520083 110344 1884774 930949 45014 176688 265232 2661409 3963865 2184215 184188 522066 1965423 151317 2830869 883756 1229537 20966 494183 90987 5792906 175386 328928 2207502 263989 37445 66812 1655876 2532919 Solasodine 2401 3834 25 1782 2264 1247 506 4762 34845 7742 1057 1418 59 238 13394 1956 3814 501 15 41 178200 16197 835 10 3983 537 14 461 212 722 318 1813 3394 1080 54 sphingosine 78038 37245 76947 20395 57981 19955 95829 3272 88576 30748 14549 24264 10775 76708 32152 75765 14915 38629 38477 129526 290 44625 181065 293807 71745 102862 95521 40421 47370 67616 287879 70928 47292 13874 24601 10619 29333 26574 31179 136868 29317 35385 41567 41570 137902 23106 10940 22085 14685 45886 53711 202568 47394 136419 45335 88278 79199 329956 73270 45303 11491 43683 72676 75307 28356 84410 16052 43645 68972 226987 46518 73872 35495 25485 16821 17606 20355 19381 22355 41441 694186 180235 69678 9821 13287 198937 78214 111431 193922 151758 39502 stigmastane-3,6-dione 46984 57342 41564 1345 7560 16601 31561 24 5895 18570 26549 27745 25266 22595 11067 6004 22388 12219 19087 23042 18366 11025 16440 36045 14863 6047 24812 21027 16513 18609 17908 37516 2038 55415 588 5677 2641 216416 46846 368 5331 22080 29132 70234 57444 16742 4222 555 34686 30470 46080 35186 24572 2432 24732 31303 25975 19127 13861 12378 19683 26479 36212 16692 24463 24652 18954 15541 26631 1828 11019 61713 7342 8216 146 3770 14986 1331 23129 47521 10577 6217 42 24136 27827 30474 30005 3255 105 1883 TG 42:0 30774 63113 54892 52797 28440 76052 47155 14034 16167 18882 65769 200873 32684 19082 1188497 14045 30385 32997 20991 35581 7901 14357131 23382 24238 60586 49563 7168 46803 199652 114513 22578 58460 42153 7965 265232 6168 5026 66152 888566 38155 41123 9735 108254 33746 220960 253331 29688 57465 9733 96216 16706957 48118 323493 121735 10694 37480 30440 34892 5789 21842 18681 42405 69710 16758 18745 10920 51757 15861 9217 15411250 32363 13412 53517 39257 24426 8032 8213 6608606 8550 49251 85240 11599 39239 14403 78922 489598 52539 36336 101426 10143 7910 TG 43:0 9416 10434 13027 26795 9408 17585 7777 15154 14526 13344 8316 12277 14445 14533 154924 12214 6326 4275 11827 8186 9255 34166 9358 6118 5577 17843 24492 32205 90666 22974 10351 15254 6663 21111 135954 24605 13343 22714 26900 15285 16467 10804 27009 47633 10743 8805 21905 9300 97856 11740 29369 14976 5072 5019 7234 16281 16373 3112 4866 36435 24524 14119 11405 785641 24756 18755 27196 32726 29251 10979 101976 23141 29776 4341 10404 28208 38178 44005 174481 8049 4269 59354 25502 22098 TG 44:0 41630 22016 66180 141236 63931 186338 140307 37377 43829 44280 50239 114655 57290 41930 902919 50546 29885 29480 39775 24631 23103 5572582 31694 36316 9737 52427 36313 45623 218464 353868 17234 55628 73227 33553 187140 25483 23834 142204 174299 51993 85691 39404 81866 51913 177042 188080 42058 31903 46734 50687 8413402 15962 59393 189588 37184 35717 58193 40208 16359 52180 21863 47588 70804 5041 35670 14511 35416 21161 20776 10904508 49559 27538 43923 46340 57424 26433 19355 2825915 22244 55154 45051 29317 135853 45762 57239 551496 81093 28309 284148 45653 29583 TG 44:1 35366 35716 45973 71244 34019 82076 21521 11093 13176 16817 31419 116113 26123 15562 1733047 11213 15601 30551 30227 28425 5144 10506231 13347 60907 13273 46387 7562 75699 377474 58881 9908 65224 12316 7768 413176 10435 9657 231468 13121 11167 68405 5890 100353 14615 123539 160533 13003 16817 8400 27898 11045669 11245 135372 66987 8651 13317 29275 23026 10715 23149 31858 76733 51617 15085 23520 7463 28052 18562 12303 126804 54289 8424 32798 102756 24254 10981 30528 4166902 13079 34786 22407 12731 97782 10877 25790 459511 33211 20926 25152 30727 8447 TG 44:2 31191 28421 34246 23656 64989 36404 12655 1142 2875 6179 21473 56268 12092 11144 833678 1776 12245 48187 36356 48648 521 6250966 6027 59240 31580 13450 1809 35065 206087 13125 27940 29954 7946 145813 711 224 216814 5904 11543 37202 317 342518 8944 42006 70497 4198 45038 12286 4858453 24798 573947 35644 205 7863 24243 15577 1117 4733 106366 49728 9044 21790 6014 4151 5543 9210 1723 26407 29429 1163 24137 120310 1215 15056 1118550 6054 9071 17934 38517 682 10716 139927 93255 24284 244 4393 26 TG 45:0 29527 15857 35653 72775 35556 48968 34640 42646 55996 50223 54327 21387 39218 43270 119772 46909 32413 16205 30037 26383 27866 1414 34035 26080 13142 136733 72000 109083 75761 82598 56634 66791 65499 101294 351485 108132 72830 47501 58209 36840 133997 96631 28028 88575 151585 77273 90586 56665 118320 82651 78880 25339 4080 99603 79211 41976 32376 44166 61697 86143 13449 21610 75719 6501 79258 105622 35028 49980 63051 363365 65483 66008 40952 41593 91269 126203 47365 86789 80298 85140 29215 68876 79442 115421 194066 208056 18181 20528 167387 85523 87383 TG 45:1 13177 7443 15243 41408 15574 23917 11094 16418 22837 18779 14047 14460 18166 14975 188442 15156 9552 8121 14449 8177 9569 15543 12403 11002 3677 31420 14010 52999 28044 19521 10202 19509 10313 23853 324018 26251 16014 50043 23027 8764 46968 21471 7460 15245 33650 31684 19069 30422 21777 18136 74688 6022 10752 20499 23677 12538 7659 10615 22373 20071 1999 10580 14228 1498 20094 15498 5514 10515 19123 18679 24327 12982 13498 18610 18014 21872 15226 42862 19738 41814 8213 15612 34755 23918 34996 70631 6412 8416 16534 25987 24488 TG 46:0 65829 14617 277007 311992 117679 285562 289647 74534 86187 73822 108119 46078 110555 113670 412184 158505 63705 16447 69193 32450 53625 623065 91251 48086 19145 287022 145743 84283 105811 1032928 44195 168646 1752825 150515 259380 88794 89986 125073 242920 430918 253856 178393 37625 337500 249215 89353 80185 41238 162055 122942 3226355 36987 2196 337183 127839 151173 116020 132641 58676 234747 142459 32399 117206 7596 128056 46586 68864 92880 61459 10349151 139466 78512 687954 39171 155717 99792 79448 721688 94153 137331 15319 96378 367039 130482 158953 590940 149004 22323 736227 169616 92201 TG 46:1 50800 29983 65669 240803 45191 189689 41174 36049 44550 38065 52853 110697 59049 33991 1668822 45161 24558 38720 52654 25733 21916 6604694 34417 52448 21022 245991 65835 142606 378916 219648 42300 336988 44371 56783 712794 59107 39639 506898 49106 26410 203996 39553 107945 72186 193192 191474 47812 78633 48351 51263 8303036 16479 96401 158536 41199 58316 102463 75961 52525 126362 42608 208187 98237 22594 127627 39344 49755 67370 41794 144431 176091 33856 68032 145144 131877 69217 94362 2947165 51839 88317 59093 38203 386299 61558 88416 562966 44663 55304 104960 172283 58611 TG 46:2 42762 44628 43022 114345 33779 98788 11981 13380 17153 19120 21322 57215 29064 14490 960726 18721 11129 32704 40637 20668 6809 4305457 13134 46875 13214 81800 38547 89253 328305 66236 23936 178147 16208 18602 379397 20639 15419 638896 15289 16827 112191 13724 97422 21223 56520 72074 15988 69728 14998 25690 3750602 5737 176453 56915 11274 23263 62645 33311 17713 55821 36874 156029 23895 37596 86205 14244 19030 42964 13033 54889 156450 10157 33704 130965 39540 20509 58329 1285876 17552 42411 22377 14241 222580 19927 35224 217019 76440 42769 14283 86958 15665 TG 46:3 7880 9805 8854 16280 5733 19043 1876 6966 13030 1714 676 330005 741 8732 4892 6027 1036784 7553 8030 6674 4658 5587 131503 757 29377 69 9477 138 223059 266 1731 18479 38172 255 8966 13641 22153 493 350831 1112 69594 10120 1020 11610 4977 1989 11102 26855 7368 9646 83 1287 4841 105 837 44417 174 2233 25756 9973 157562 307 1298 31627 55303 20663 4438 177 6996 TG 46:4 545 4416 2445 301 10017 1090 189 1160 5130 170 99926 144 1791 241 2895 464908 1880 6053 2676 497 199979 3867 27239 1455 55551 1327 15229 539 830 5195 31731 933 40485 1230 14271 14156 1612 4843 460 1048 11112 739 7893 224042 533 776 10906 5850 1067 TG 47:0 37286 9562 61643 111037 62111 66248 84064 55673 63203 61169 46338 6354 36898 52816 36573 75962 40369 3182 36713 21781 38008 47993 27724 2328 510255 232530 227340 12753 370521 105524 166856 637676 301336 722477 299224 228595 151431 116554 377823 207582 322232 129235 62289 140942 3745 248533 173599 127150 54246 13151 236872 219343 111246 59906 127782 175927 337350 3989 8899 156603 164546 143993 97536 122159 170304 488682 227521 195595 297879 244977 319109 194693 185405 255619 247802 15208 168364 303105 294928 368824 358192 5948 5027 520021 232205 204739 TG 47:1 25501 11923 27887 100329 33703 49035 24508 35134 39211 38101 29107 12432 29282 25531 196653 32272 18645 12441 25544 15895 21858 2582 27982 19455 5116 147225 54862 107875 43245 67509 35038 76658 33721 74520 716309 86413 56657 89372 57519 28778 135353 65570 20492 68941 65397 52881 56351 51102 99725 46122 88942 20186 64575 81634 44500 35554 30247 73897 68809 4291 18185 42007 6383 61394 53033 26805 46794 51280 46179 69143 42697 29929 51531 69449 95780 66185 78379 75853 105155 2715 38603 94080 70241 84106 97550 8632 10968 49608 82216 59557 TG 47:2 19333 11898 14872 50415 15676 26716 10096 17012 18870 20872 13279 13946 19261 14952 113641 15123 7438 7478 17194 8668 9756 6806 13707 11760 5781 57098 35154 98361 41480 34654 22702 38958 20967 52116 663103 63407 35309 110089 45692 22593 82686 44882 9366 37608 26414 28293 47853 62557 67654 30902 31821 11388 15617 19760 39584 30247 19938 15267 52295 29856 8446 18439 19755 10394 42762 26437 15330 31563 32953 9889 49077 24512 12354 51938 39647 49686 26730 36895 50852 81893 12842 26351 62718 52220 68378 35792 10440 17330 32195 57650 46118 TG 48:0 144123 156652 4954302 705533 427446 1519124 1928081 78543 183816 168049 452201 106000 688719 1313220 247059 610147 337705 55769 282825 80797 178134 208635 711086 120228 177378 831225 558414 155366 11962 8295610 138302 362942 15731887 377840 366637 144231 394712 464803 2529163 5776101 1243451 748565 74302 1111910 987108 138132 192558 52377 277494 470610 1513707 186357 25045 690036 382545 2074288 500491 725487 125949 1125422 627429 128733 543988 178528 897831 79422 456389 430174 158090 9055073 631151 347921 10265694 190763 550593 174559 498841 755472 359957 687028 66363 171037 1369621 259328 235751 550062 1925492 130525 1304021 401503 145885 TG 48:1 138507 42248 135735 801882 89063 478608 130861 44075 60335 50165 137187 54689 107015 55002 791176 188899 51019 39477 129983 39668 28898 1133285 48650 81570 11852 1157936 220620 246282 79980 481764 146176 716794 171285 135919 685645 112684 100608 592558 117434 128124 1093041 121960 146356 435343 677926 222355 102987 57809 149901 156903 6303725 36380 2915 389116 129946 401911 366540 253379 97499 463364 92108 176128 193695 311574 485320 73146 129359 202089 92661 234714 504762 72901 216890 1990597 380896 153404 360305 1019629 114287 173321 12675 107987 1090971 128857 161966 759581 69815 102542 298947 492597 87890 TG 48:2 313319 169972 194848 570996 65467 392006 49084 32974 54386 63532 91883 156186 164538 76296 1129080 86248 54668 179728 183416 77795 18838 1962772 37508 130276 26856 642001 174137 356117 351471 201696 170296 797939 99532 90194 681546 77189 83230 1794582 88313 253790 875025 70334 403964 223063 374499 149869 81634 338116 105100 243006 6362377 50967 110653 352107 122498 237118 349837 155972 82694 288132 162306 370557 135853 316061 606634 49641 82844 326217 82436 222036 516567 65484 190605 925825 245760 109990 265800 1096866 72481 139205 28035 157318 1025341 80935 277916 372727 444159 268597 70768 442762 67729 TG 48:3 353263 296555 184468 181410 18165 186453 24602 4171 5955 52420 36956 303166 154961 48467 557380 17226 39412 74469 164969 70277 2493 2432537 7385 121549 30732 169626 58866 310643 328084 38756 62140 362396 29144 6379 218247 5635 11071 1044798 15556 297549 229379 3173 153120 108537 219806 62569 14706 174928 7229 155609 1791338 40861 142769 93366 59557 160751 216310 48165 26941 121820 77055 240642 33336 300320 156866 4603 30874 146381 21162 66409 226974 10518 125269 134501 42250 12285 81411 1167312 4564 51716 18757 131018 397229 3439 304214 112560 139398 97145 3137 141885 5519 TG 48:4 3711 19612 7080 32457 473 28956 36 62 11917 541 20 117089 164 9256 5741 292 1595177 5994 11440 282 1828 42120 230 1372 56404 225 1771 265063 247 19940 27320 1732 2086 37814 154727 60445 26855 3580 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682005 591841 34085368 10587647 27290449 33427 72228329 922262 6377317 39301703 6635079 7699331 18082517 52819927 2377442 13848810 8997827 4708598 601405 4534561 237685 823080 51008316 4345250 3104059 14084788 321781 46127979 6172868 3392101 28945171 9428753 61144102 1299595 2603727 13083957 3431865 54639038 33642201 886325 9503267 15803705 2616179 2512663 5468030 27828152 24726823 9144656 22745176 20647209 330988 8736912 13044745 1331523 4976577 11119204 5670645 4313901 39701399 10384676 1358582 7821852 42180108 473452 6985407 25695206 406913 10965582 378410 841517 10450212 30793344 29618728 1978488 5229601 217813 TG 54:5 6301919 19788753 977161 1882239 106238 6271143 724531 12479 301085 5438911 2064507 34103045 17242313 6477925 45521665 402345 754991 27379188 11913756 14500184 17002 69786102 1150100 6934919 41872015 6162885 8359388 11198902 46980231 2606169 11244290 4931908 11496035 289364 6675754 97757 985449 49325518 5632003 3509469 8904143 262328 41009174 7885152 2861300 32552821 13499271 57507999 786794 1653696 12221526 7308920 49713355 29684697 643749 11362362 16529491 1989254 3759535 4877872 26203233 20267766 6056383 20531429 18636220 262982 13518117 6635853 1686243 4982198 6342305 8732290 8506277 37900398 7886293 722418 4107781 48784476 426391 10454576 30104497 503650 7721232 248473 734538 6568815 31779500 24778233 1557752 2845038 98845 TG 54:6 6202356 27790229 1379821 1011247 71302 1537892 629950 7777 425654 5367960 2658936 25279339 12359157 7543592 16403744 184753 798440 11808868 11838706 11161051 8797 73638201 1227744 7048430 38655366 4877054 7519073 7074838 30346774 2298344 8185294 4184059 14384937 125103 6316542 28266 938162 41993216 5045287 3487226 4287200 157685 31828059 7439995 2258123 28522154 11299833 27001505 166092 950167 11597533 6823888 60235192 23468806 382675 12943423 16156629 1433921 4126129 2741553 19577837 19824134 6119388 25067409 8887678 387340 14800687 1714251 1910523 4059754 2675593 11224746 10094756 12843717 5952075 254788 2398836 47415384 373838 12056266 33546677 564171 3692931 139664 616771 1511127 30865378 22879592 705199 966069 32971 TG 54:7 7893259 56052185 2455768 253671 55586 579727 640235 508774 2453261 15008120 7792355 6826538 6111345 2543259 87444 1222737 12026639 12453047 11023495 226523728 1359646 9096787 95729692 5912889 6606512 8156409 13295822 2830444 3970913 3910427 24790063 3999 6347959 1643949 45167404 9704231 1883655 3274735 9386 24102771 4607253 1993501 17136801 6135487 3787843 12330 679145 7613270 4602180 163795293 11390042 39805 15809207 15660444 2671128 4556838 4075297 16310170 20908222 5391986 70829421 4542027 16829 19943085 1694715 1874027 2685976 1628823 15788249 14004831 10475874 3578186 42416 2137395 30425977 160908 17217413 27524566 350736 3100014 26864 1696011 964952 40278324 16367472 1057505 796100 TG 54:8 126865 1111271 38154 11762 6130 5543 1583 14508 1686518 171888 161534 82515 36002 116 18735 824638 190789 174306 13128420 18526 224007 9196693 74596 44755 114299 97829 30158 43531 14690 479428 72834 22899 605632 633932 20505 2655 544388 31218 23404 109513 59811 20524 4170 75346 50045 16053220 95332 222238 180141 192587 41642 56896 167330 323080 57249 930296 4788 12 262388 10561 16904 19411 362 205232 216383 56970 28667 9426 166135 272870 182191 997 2761 124557 11277 577305 133285 15226 TG 54:9 7795 60906 1805 2070432 244934 25262 15491 126 213518 9857 1865 6810480 18048 14765244 907 2799 4704 1759 23106 11 33192 182817 228 413299 72 14 23 1081 7741319 2550 2269 5353 372637 17 5617 643 160215 199 32392 72 4417 849 8501 333 4208 19778 6101 305426 9318 643 TG 55:3 12395 76810 1725 14334 1232 23092 1813 2429 3667 3014 2809 36409 11039 4772 107248 2480 1359 79647 18985 10521 1898 252987 2271 10250 100549 26252 12664 17231 426818 7664 18346 20866 10054 8728 5750 5410 6374 171630 6831 3624 80824 10872 145254 10024 2665 34029 10588 539606 14628 4435 14480 1482 619543 27050 11724 16927 34308 6542 8001 20166 136453 76741 5231 92737 31606 5778 18142 88281 6656 22036 47745 10872 10806 400773 19943 12780 40442 47418 15619 11986 15939 3483 64927 13069 11602 1860 128484 60550 6260 29765 10194 TG 56:1 189133 302228 148170 211987 116582 570941 104743 135416 182439 199192 116329 813806 243215 132851 609946 156479 89496 5369711 182553 128687 88298 1732130 126875 123214 545363 34669 17167 213663 167836 7721 27890 123409 93640 5475 54699 2314 23732 399387 18327 27121 46244 2060 3385363 25694 105586 1279072 18862 6191189 4496 15788 70096 15712 1253082 67965 3406 39259 175134 84140 2286 33295 164707 387578 76050 2045031 142555 1604 36324 266158 5231 39279 76698 5937 86993 3362716 63577 4696 53795 176395 3128 19873 15284 3176 144496 1824 2538 1752487 1998870 941795 126790 21125 2769 TG 56:2 391618 862007 88175 301689 58181 1554312 62431 58536 90214 153159 100963 2808277 606166 162132 1846068 164013 56325 12315195 442504 209037 43908 7418477 70322 201561 2769233 156931 110326 743817 2667015 35095 209537 354550 146294 10164 80108 15392 41237 2857585 98594 61947 419006 17889 9245272 130027 131127 3537140 107994 17120753 27162 73661 292911 50449 8806578 459531 27579 205282 409290 146276 22120 714514 1288140 1549698 221729 7483827 719376 8697 107157 1618000 29112 235817 401507 45539 153084 15005468 193534 41003 357623 1063925 30695 86880 132562 14598 539122 23220 29214 1648401 8366567 2623258 194253 118172 24128 TG 56:3 754105 1974234 369809 784564 386083 2030111 327948 482480 663159 713791 451749 3278964 1417604 612239 2443011 515532 301553 11385667 1107921 896275 329098 10342109 469063 693990 4517347 484675 423575 1235231 6111300 91250 802089 686040 253155 49756 187292 56690 62130 6997506 237681 134499 1583468 53731 9561737 232823 153028 3661043 279048 22618931 77913 100842 588599 102076 15358632 2512468 44736 632235 853048 309496 76135 2198939 2636869 3834629 394283 6957135 1522323 49667 327043 1344674 68941 770772 1597928 217696 309875 15469483 489928 63377 1317872 2520515 50243 213267 464194 32826 1589283 56436 51022 1623913 9526389 5839908 165933 469348 39665 TG 56:4 331736 1543037 54906 578342 46357 1142002 51161 53396 84059 194864 159995 2151370 773030 255893 596526 159331 53568 7048454 803962 645421 32634 3757803 84431 568486 3356034 665066 682469 546053 824678 71297 636520 456149 226116 31095 163874 26870 45894 6965890 212803 125374 3183403 19852 1993876 281588 101519 2367670 381742 13663005 63332 58710 587459 125855 4341183 1987029 21440 505279 963747 416405 124168 1493909 780017 2437878 266168 1214007 1656308 13109 445383 230233 37980 918457 2331917 320308 253206 1460243 443251 32138 1719493 2478306 29551 267599 947962 18259 2730840 49667 47289 640819 8352193 1884422 84058 934303 26258 TG 56:5 166412 1627148 27726 778838 22921 667415 21288 1373 34197 86101 200336 416859 347114 128714 227460 128219 35691 2584437 634648 232446 1873 1935350 70839 783709 1190782 2097214 958967 288037 184792 94182 545740 399752 321399 18863 150297 8276 33978 3648404 212817 97905 4416442 11088 529056 223174 49844 873609 333109 3946872 76292 27843 571160 124803 1707776 1096040 8151 563786 1118419 624492 209880 1802026 199044 1788035 222246 440784 1432489 5598 584454 197209 36040 1362783 2980161 459655 285810 126702 507548 80429 2314404 1294058 14621 357514 483938 17143 3830320 47631 33453 185717 4510588 812605 57046 1535334 10872 TG 56:6 804 19396 792 617522 26264 301920 162 305 38998 184 101461 2130 51113 126247 14998 1565 101932 78 36886 370085 85455 171696 1140289 2924 22259 334052 574182 10656 38235 887 866 4028 1561082 3050 15390 4230144 14446 55473 2195 73412 138192 88718 3362 325152 28346 13093 1823 26726 617498 541540 74867 1616993 677898 28297 36874 978389 1367 8811 74422 2160 1045949 2267057 108737 5754 21361 327403 191694 2618288 105143 3134 1953 28353 12798 4120955 67686 21838 141246 8426 6837 1427410 1591 TG 56:7 201 643 568393 17331 256414 523 31858 74249 18 1027 56667 115778 11172 1041 70430 1781 30539 327653 69995 71714 1515721 1547 11615 228154 536694 34590 26529 9338 1724 979 1410371 83 15244 4019096 4996 99 24515 1072 44625 246405 61739 417 262275 27810 11220 12575 472835 400992 45759 1832890 450634 9868 56080 873532 16172 21686 1127 1042301 1836486 118093 13028 100109 286355 199155 1929155 57612 751 58418 10029 4284705 109502 9271 148351 1390 366 10539 1183603 118 TG 56:8 126 327953 3144 135156 111 37491 32865 900 19 61073 61917 3918 210 37957 7119 1324 10267 191728 62989 12468 1416000 113 16654 706 100336 386856 73817 2694 1853090 156 2506 2276705 592 12094 5093 205 328 5409 299105 5568 177362 9627 3316 3788 400 331034 214157 1672 1122811 1614 345440 45 7453 652119 16 71 872695 1046699 58305 1627 122921 157440 75106 1415001 50799 26 325 2679048 68186 1314 36107 3873 1920 491 465578 592 TG 57:2 9011 21730 1500 2841 2115 8173 6524 2458 3655 3475 15527 43092 6782 3598 55617 854 16834 230636 5199 5057 371 278594 4134 6132 59589 6539 5815 12870 193535 4978 8438 10630 4417 14985 16954 14539 7726 95935 7716 5908 8455 14035 189756 9170 7405 64195 9074 408499 11779 21081 8119 8131 532727 6570 10524 6549 7349 6011 9927 11381 80624 28157 7141 279260 18651 12172 4719 35414 17237 12035 12006 12196 6508 1117482 11196 19795 7678 27426 11038 6604 6263 12541 9863 17165 15148 15026 189648 71828 7767 13970 8486 TG 58:1 61260 155163 5519 29433 2349 231321 6876 2931 5287 3417 2691 248027 56160 6045 159512 10754 2219 3752619 40772 14473 1874 996036 1665 17111 164711 2096 1331 84143 60225 8257 65610 13639 21360 616 202799 403 14492 2980 1071234 5277 60198 583768 1907 3891081 4859 27024 904 836868 26377 37617 70587 15264 871 67801 180385 11967 1003904 37819 4494 83832 5621 12914 382 15351 1295201 7284 4756 101826 892 1294 58946 804908 1605948 646372 39309 3184 TG 58:10 101445 146 36618 11850 7226 36320 35887 25 15679 3418 137782 60386 770670 28 413 32036 105788 19019 628 774925 530 1372 751461 85 325 407 1552 110804 975 15 61875 10229 978 28 189 284 136070 77685 1218 601708 221447 394 53 254310 88 293 508 31 469691 323442 17043 82 67039 51624 3838 549611 15219 88 1477723 66685 113 1669 10289 85 511 169324 107 TG 58:2 314860 585067 20479 65552 4903 1748885 14524 4063 9035 16262 16840 800915 192320 51016 553338 22129 6001 14309510 289855 79915 3362 3706164 3632 65521 885721 46262 23289 802977 601345 2216 73771 341163 60753 48803 535 1514 936485 19961 41869 71095 3160138 78041 117944 3623901 36122 16051252 3065 57004 183500 15430 4019420 148638 95 125645 275805 39616 3087 268222 596985 1293810 113464 4314583 221311 426 54334 381677 493 75391 108728 12996 79473 6547489 74669 39 70853 545576 31996 45711 9668 180415 22 8240 1866174 9199673 4193391 72612 13895 475 TG 58:3 244144 391746 30806 77141 26330 1698253 24259 44418 47141 54851 33928 617550 138219 58954 253287 35094 24757 13929312 286695 95214 26147 2734731 34565 96807 767397 35776 40159 681567 422543 2334 78340 275143 49434 2415 16963 1501 1380 1116648 15767 30289 157502 1555 2238643 24869 11424 3424373 19098 18917508 13474 26592 99477 11728 3197264 261286 2532 283719 129890 58050 3804 2599433 369155 1287674 96061 2346416 262813 1582 53593 59633 3156 99018 237251 13589 59316 2232365 36165 4206 177235 369822 3772 37932 39674 1251 184403 2544 2453 980508 8032572 1682972 10772 36575 3084 TG 58:6 3416 27132 6811 250727 7748 105767 4137 6474 12108 11703 45426 1172 3801 6913 9654 37340 4872 209039 48708 5148 3845 2810 9908 186009 66163 10702 669120 2189 9158 262047 126321 4223 13374 2345 5752 1380 1629968 2649 7414 2873037 10049 25910 138538 25041 5863 130975 875 5351 4928 8884 273061 318884 49905 941432 464266 1053 562169 4720 2842 15363 7570 899728 2205223 7622 3146 156299 7087 1528985 62589 5158 4809 191256 4037 2941297 28633 11511 51152 29932 6650 991523 6189 TG 58:7 7236 3088 6848 147886 8405 53708 8898 14197 15943 15357 28965 1667 6759 8187 5303 26555 5827 68815 24028 4647 7357 13074 142305 18346 19643 833255 6075 171107 141700 3742 749 2812 2201 674355 2567482 916 8256 2416 19088 85651 11387 604 99392 17296 1062 4548 8200 212950 260424 56563 817653 285644 958 422894 2242 701 22699 548499 1666907 39141 107266 1812 1097680 22344 1249 1923999 19463 7825 132882 1062 756992 1138 TG 58:8 2113 178644 1141 85596 111510 3906 24571 17336 32355 54209 45273 45195 12731 4063 179425 41161 11771 141580 1248 61205 18323 10056 44399 850 505 303701 333 1829 443599 7656 32355 5277 441 44715 25104 23701 1578 6375 43176 59379 15417 158504 10706 138462 1298 82316 52522 925 108748 265684 9446 55959 11646 29675 14189 309237 13626 480 541 72919 867782 12449 1338 2687 1137 255405 1528 TG 58:9 122272 147 42022 8 9078 24 15563 17 32565 24953 134 20513 276 117970 38178 4342 387391 40 38764 85371 7555 607 622648 1192 1166880 1494 345 2120 105703 1058 63094 1407 358 513 28 121948 89886 7689 318142 191078 373 18 235621 426 74 523 311 209088 422837 13974 31094 38201 7795 546168 11733 460 180 1080070 30888 16898 1270 1319 239771 TG 60:12 159 461 11342 1694 13666 22055 435 346 2377 4763 29301 30099 20219 3314 245 39997 11736 149650 9806 16110 30162 97583 14 71634 252 28 289 1716 1032 556 2815 263 379 98 3453 22643 32401 611 38995 10262 19196 13904 18485 3952 5335 89626 1815 490 170415 55 533 5204 TG 60:2 223039 368924 44411 30301 478 737330 37856 2115 27393 462748 151735 31677 203378 4868 49909 8198539 147362 86736 560 2240882 38736 386845 35734 4682 358449 276790 2586 56081 147969 35127 1408 60799 459852 14615 106457 27662 2100371 57745 197253 1618741 17502 9036272 3326 76997 77403 20027 2388024 94770 67641 132331 24029 76899 229360 617133 53427 2318392 73206 551 32760 279530 162 49836 52916 2720 115004 2871781 7340 31496 270254 21069 26173 24956 148932 18673 925071 4524048 3168143 10809 3986 TG 60:3 135423 411843 44790 20673 3464 795335 45809 189 502 33004 31155 378623 88376 67893 124892 653 148646 8211753 202308 231420 277 2677487 1483 65238 504600 11678 9107 264128 237059 6924 43505 103505 66671 89824 543 821322 62027 68701 74833 1252 1813752 24370 49236 1976532 52951 11945260 1581 16626 53270 38710 3405613 142399 935 127793 115099 62477 409 1309603 224458 711700 41551 1575190 104694 43 64242 30973 116998 130060 4430 100576 888058 6995 655 89701 410549 12728 64350 1331 117720 10 4612 572484 7095319 934853 5502 10377 TG 62:3 11583 57207 20 1038 87103 223 52 60768 1868 282 9026 108 2246992 25301 2828 466988 51 3291 80418 1056 31207 36765 3301 5766 1004 287 224664 523 17157 329387 1249 303 351594 2897932 456 2045 832715 40090 6038 19751 329292 34777 211894 1090 376995 3965 3435 2149 11804 46815 572 6372 150904 802 25842 70024 69678 103408 1955138 200215 738 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Study_Compound_ID MZ RT HMDB_ID 5beta-Cholestan-3-one (5b-coprostanone) QI7849 409.3438 7.87 7-Dehydro-desmosterol QI18669 383.3305 7.14 HMDB0003896 beta-tocopherol QI17990 416.3642 7.88 Betulinic acid QI20395 457.3669 5.32 C24:0 PC TF01 622.4435 6.72 Internal Standard Campesterol QI8178 423.3594 8.14 CE 14:0 QI14292 619.5418 11.61 HMDB0006725 CE 16:0 QI14012 647.5729 12.01 HMDB0000885 CE 16:1 QI11629 645.5573 11.7 HMDB0000658 CE 18:0 QI12112 675.603999999999 12.41 HMDB0010368 CE 18:1 QI13966 673.5883 12.1 HMDB0000918 CE 18:2 QI14170 671.5728 11.79 HMDB0000610 CE 18:3 QI11506 669.5572 11.53 HMDB0010370 CE 20:3 QI14093 697.588 11.89 HMDB0006736 CE 20:4 QI14273 695.5724 11.64 HMDB0006726 CE 20:5 QI11409 693.5572 11.39 HMDB0006731 CE 22:4 QI11849 723.6038 12 HMDB0006729 CE 22:5 QI11654 721.5883 11.74 HMDB0010375 CE 22:6 QI14381 719.5726 11.51 HMDB0006733 Cer 18:1;O2/14:0 QI17829 510.4881 8.04 Cer 18:1;O2/16:0 QI8593 538.5193 8.54 HMDB0004949 Cer 18:1;O2/18:0 QI16799 566.5504 9.02 Cer 18:1;O2/20:0 QI9541 594.5813 9.45 Cer 18:1;O2/22:0 QI15872 622.6125 9.85 HMDB0004952 Cer 18:1;O2/24:0 QI15465 650.6434 10.23 HMDB0004956 Cer 18:1;O2/24:1 QI10067 648.6281 9.9 HMDB0004953 Cholesterol QI7555 369.3512 7.59 HMDB0000067 cholesterol b-glucoside/galactoside QI19113 571.3965 6.52 coenzyme Q10 QI14313 885.6713 11.6 HMDB0001072 Coenzyme Q9 QI14748 817.6094 11.01 delta-Tocopherol QI7493 402.3489 7.54 DG 30:0 QI8949 563.4644 8.9 HMDB0007011 DG 31:0 QI9134 577.4799 9.08 DG 32:0 QI9421 591.4957 9.35 HMDB0007098 DG 32:1 QI9100 589.4802 9.05 HMDB0007099 DG 32:2 QI17090 587.4646 8.73 HMDB0007128 DG 34:0 QI15982 619.5265 9.75 HMDB0007100 DG 34:1 QI9556 617.5109 9.47 HMDB0007102 DG 34:2 QI9252 615.4951 9.18 HMDB0007103 DG 34:3 QI16921 613.4793 8.9 HMDB0007132 DG 35:1 QI16072 631.5261 9.67 DG 35:2 QI16402 629.5106 9.39 DG 36:0 QI15589 647.5571 10.12 HMDB0007158 DG 36:1 QI15847 645.541999999999 9.87 HMDB0007216 DG 36:2 QI16157 643.5262 9.59 HMDB0007218 DG 36:3 QI16496 641.5106 9.3 HMDB0007219 DG 36:4 QI9065 639.495 9.01 HMDB0007248 DG 38:1 QI10408 673.5737 10.24 DG 38:2 QI10149 671.5579 9.99 DG 38:3 QI16049 669.5417 9.69 DG 38:4_a QI16147 667.5263 9.6 HMDB0007170 DG 38:4_b QI9535 667.5261 9.45 DG 38:5 QI16507 665.5101 9.29 HMDB0007199 linoleoylethanolamide QI5165 324.2892 5.01 HMDB0012252 LPC 14:0 QI4525 468.3088 4.5 HMDB0010379 LPC 16:0 QI5177 496.3396 5.01 HMDB0010382 LPC 16:1 QI21279 494.3265 4.55 HMDB0010383 LPC 17:0 QI20410 510.3555 5.3 HMDB0011481 LPC 18:0 QI20090 524.3712 5.6 HMDB0010384 LPC 18:1 QI5355 522.356 5.19 HMDB0002815 LPC 18:2 QI20906 520.3399 4.84 HMDB0010386 LPC 19:0 QI19743 538.3866 5.92 HMDB0011520 LPC 20:3 QI5178 518.3218 5.01 LPC 20:5 QI4964 542.3216 4.84 LPC 24:0 QI20514 544.3373 5.19 LPC O-18:0 QI19624 510.3919 5.98 LPE 16:0 QI20671 454.2925 5.02 HMDB0011503 LPE 18:0 QI5803 482.3242 5.62 HMDB0011130 LPE 18:1 QI5367 480.3086 5.2 HMDB0011506 LPE 18:2 QI5011 478.2929 4.85 HMDB0011507 Menaquinone-4 QI7452 467.292 7.48 MG 14:0_a QI21012 325.2346 4.73 MG 14:0_b QI4939 325.2346 4.82 MG 16:1 QI20610 339.2503 5.1 HMDB0011565 MG 18:0 QI19564 381.2971 6.04 HMDB0011131 MG 18:2 QI5274 377.2658 5.11 PC 30:0 QI17485 706.5371 8.37 HMDB0007869 PC 31:0 QI17217 720.554 8.6 HMDB0008925 PC 32:0 QI16986 734.5685 8.84 HMDB0007871 PC 32:1 QI17282 732.5528 8.53 HMDB0007873 PC 34:0 QI16512 762.5994 9.28 HMDB0007970 PC 34:1 QI16840 760.5841 8.98 HMDB0007972 PC 34:2 QI17134 758.5683 8.67 HMDB0007973 PC 34:3 QI8884 756.5504 8.84 PC 35:2 QI8936 772.584 8.9 HMDB0008942 PC 36:0_a QI16063 790.628999999999 9.68 PC 36:0_b TF04 790.6288 9.66 HMDB0008036 PC 36:1 QI16385 788.6151 9.4 HMDB0008038 PC 36:2 QI9171 786.5997 9.12 HMDB0008039 PC 36:3 QI17009 784.5843 8.82 PC 36:4_a TF02 782.5684 8.5 HMDB0007983 PC 36:4_b QI16848 782.566 8.97 HMDB0008138 PC 38:2 QI9573 814.6313 9.48 HMDB0008270 PC 38:3 QI9275 812.6148 9.2 HMDB0008047 PC 38:4_a QI16812 810.5994 9 PC 38:4_b QI9477 810.5971 9.4 HMDB0008048 PC 38:6 QI8862 806.5666 8.82 HMDB0007991 PC P-33:0 or PC O-33:1 QI9235 732.5972 9.17 PC P-34:0 or PC O-34:1_a QI9348 746.6046 9.26 HMDB0011208 PC P-34:0 or PC O-34:1_b TF05 746.6036 9.55 HMDB0011239 PC P-34:1 or PC O-34:2 QI9344 744.5889 9.26 HMDB0011210 PC P-34:2 or PC O-34:3 QI16677 742.571 9.16 PC P-36:0 or PC O-36:1 QI16074 774.6356 9.67 HMDB0011241 PC P-36:1 or PC O-36:2 QI9490 772.6203 9.41 HMDB0011243 PC P-36:2 or PC O-36:3 QI9470 770.6044 9.39 HMDB0011244 PC P-36:3 or PC O-36:4_a QI9055 768.5881 9 HMDB0011310 PC P-36:3 or PC O-36:4_b QI16526 768.5854 9.26 PC P-36:4 or PC O-36:5 QI16807 766.5732 9.01 HMDB0011220 PC P-38:3 or PC O-38:4_a QI9509 796.6193 9.43 HMDB0011252 PC P-38:3 or PC O-38:4_b QI9293 796.6215 9.22 PC P-38:5 or PC O-38:6 QI16911 792.5924 8.91 HMDB0011319 PE 32:0 QI8078 692.5214 8.09 HMDB0008923 PE 36:0 QI16756 748.5844 9.06 HMDB0008991 PE 36:1 QI9468 746.5698 9.39 HMDB0008993 PE P-34:2 or PE O-34:3 TF06 702.5416 9.27 HMDB0008952 PE P-36:1 or PE O-36:2 QI9776 730.5742 9.66 HMDB0009082 PE P-36:2 or PE O-36:3 QI16400 728.558 9.39 HMDB0011441 Piperine QI2875 286.1434 3.8 HMDB0029377 Sitosterol QI17748 397.3824 8.11 SM 18:1;O2/16:0 QI8440 703.5738 8.41 HMDB0010169 SM 18:1;O2/16:1 QI17817 701.5578 8.06 HMDB0029216 SM 18:1;O2/18:0 QI16949 731.6052 8.88 HMDB0001348 SM 18:1;O2/18:1 QI8621 729.5866 8.57 HMDB0012101 SM 18:1;O2/20:0 QI16454 759.6363 9.35 HMDB0012102 SM 18:1;O2/22:0 QI9888 787.6674 9.75 HMDB0012103 SM 18:1;O2/22:1 QI9585 785.6511 9.49 HMDB0012104 SM 18:1;O2/24:0 QI10293 815.6987 10.13 HMDB0011697 SM 18:1;O2/24:1 QI9923 813.6834 9.79 HMDB0012107 Solasodine QI23046 414.3363 3.79 sphingosine QI4385 300.2893 4.4 HMDB0000252 stigmastane-3,6-dione QI6837 429.3726 6.64 TG 42:0 QI11070 745.6308 10.95 HMDB0072780 TG 43:0 QI14694 759.6466 11.08 HMDB0042062 TG 44:0 QI14582 773.6616 11.25 HMDB0042063 TG 44:1 QI14734 771.6451 11.03 HMDB0042301 TG 44:2 QI14892 769.6304 10.84 HMDB0042279 TG 45:0 QI11404 787.6769 11.39 HMDB0042093 TG 45:1 QI14626 785.6618 11.18 HMDB0042099 TG 46:0 QI14345 801.6927 11.55 HMDB0010411 TG 46:1 QI14505 799.6776 11.33 HMDB0010412 TG 46:2 QI14670 797.661999999999 11.12 HMDB0010419 TG 46:3 QI11022 795.6462 10.91 HMDB0042751 TG 46:4 QI15038 793.6308 10.67 HMDB0042548 TG 47:0 QI14237 815.7084 11.71 HMDB0042094 TG 47:1 QI11481 813.6931 11.5 HMDB0042100 TG 47:2 QI11357 811.6775 11.32 HMDB0042076 TG 48:0 QI14113 829.7247 11.87 HMDB0005356 TG 48:1 QI11581 827.7084 11.62 HMDB0005359 TG 48:2 QI14444 825.6931 11.41 HMDB0005376 TG 48:3 QI11250 823.6776 11.19 HMDB0005432 TG 48:4 QI14774 821.661999999999 10.97 HMDB0042811 TG 49:0 QI14000 843.74 12.03 HMDB0042095 TG 49:1 QI11708 841.7242 11.8 HMDB0011705 TG 49:2 QI11525 839.7095 11.55 HMDB0011706 TG 49:3 QI14459 837.6933 11.39 HMDB0042103 TG 50:0 QI13884 857.7554 12.22 HMDB0005357 TG 50:1 QI11821 855.7403 11.96 HMDB0005360 TG 50:2 QI11639 853.7245 11.72 HMDB0005377 TG 50:3 QI14392 851.7087 11.49 HMDB0005433 TG 50:4 QI14562 849.6933 11.27 TG 50:5 QI11149 847.6768 11 TG 50:6 QI11044 845.6617 10.92 HMDB0010497 TG 51:0 QI13772 871.7716 12.39 HMDB0031106 TG 51:1 QI11919 869.7561 12.12 HMDB0042104 TG 51:2 QI11763 867.7399 11.87 HMDB0005362 TG 51:3 QI14277 865.7257 11.64 HMDB0011701 TG 51:4 QI11430 863.7086 11.41 TG 52:0 QI13682 885.7869 12.57 HMDB0005365 TG 52:1 QI12038 883.7711 12.3 HMDB0005367 TG 52:2 QI13986 881.7556 12.06 HMDB0005369 TG 52:3 QI14157 879.74 11.8 HMDB0005384 TG 52:4 QI14333 877.7241 11.57 HMDB0005363 TG 52:5 QI11385 875.7079 11.35 TG 52:6 QI11207 873.6932 11.14 HMDB0005436 TG 53:2 QI11997 895.7718 12.23 HMDB0042196 TG 53:3 QI14035 893.7562 11.98 HMDB0043058 TG 54:1 QI12238 911.8027 12.67 HMDB0005395 TG 54:2 QI13764 909.7863 12.41 HMDB0005403 TG 54:3 QI13929 907.7715 12.15 HMDB0005405 TG 54:4 QI11782 905.7555 11.9 HMDB0005370 TG 54:5 QI14261 903.7398 11.66 HMDB0005385 TG 54:6 QI14424 901.7239 11.43 HMDB0005391 TG 54:7 TF09 899.7087 11.22 HMDB0005447 TG 54:8 QI14749 897.6935 11.01 HMDB0010518 TG 54:9 QI10945 895.6784 10.8 HMDB0010498 TG 55:3 QI13812 921.7876 12.33 HMDB0042466 TG 56:1 QI13476 939.8345 13.08 HMDB0005396 TG 56:2 QI12284 937.8182 12.79 HMDB0005404 TG 56:3 QI12147 935.8065 12.5 HMDB0005410 TG 56:4 QI13868 933.7869 12.23 HMDB0005398 TG 56:5 QI14036 931.771 11.98 HMDB0005406 TG 56:6 QI14117 929.7557 11.86 HMDB0005456 TG 56:7 QI14285 927.7399 11.62 HMDB0005462 TG 56:8 QI11415 925.725 11.4 HMDB0005392 TG 57:2 QI13513 951.8345 12.98 TG 58:1 QI12555 967.8654 13.52 TG 58:10 QI14477 949.7246 11.37 HMDB0005476 TG 58:2 QI13435 965.8497 13.21 TG 58:3 QI12322 963.834 12.89 TG 58:6 QI13959 957.7866 12.1 HMDB0005458 TG 58:7 QI14112 955.7712 11.87 TG 58:8 QI11665 953.7557 11.75 TG 58:9 QI11509 951.7404 11.53 HMDB0005463 TG 60:12 QI14512 973.7215 11.32 HMDB0005478 TG 60:2 QI13270 993.8811 13.65 TG 60:3 QI13394 991.8648 13.32 TG 62:3 QI12678 1019.8965 13.79 METABOLITES_END #END