#METABOLOMICS WORKBENCH cclish_20230330_193733 DATATRACK_ID:3827 STUDY_ID:ST002536 ANALYSIS_ID:AN004173 PROJECT_ID:PR001632 VERSION 1 CREATED_ON March 31, 2023, 7:47 am #PROJECT PR:PROJECT_TITLE Effectors enabling adaptation to mitochondrial complex I loss in Hürthle cell PR:PROJECT_TITLE carcinoma PR:PROJECT_SUMMARY Oncocytic (Hürthle cell) carcinoma of the thyroid (HCC) is genetically PR:PROJECT_SUMMARY characterized by complex I mitochondrial DNA mutations and widespread PR:PROJECT_SUMMARY chromosomal losses. In this project, RNA-seq and metabolomics were used to PR:PROJECT_SUMMARY identify candidate molecular effectors activated by these genetic drivers. PR:INSTITUTE Broad Institute of MIT and Harvard PR:DEPARTMENT Metabolomics Platform PR:LAST_NAME Clish PR:FIRST_NAME Clary PR:ADDRESS 415 Main Street, Cambridge, MA, 02142, USA PR:EMAIL clary@broadinstitute.org PR:PHONE 617-714-7654 PR:FUNDING_SOURCE Inflammatory Bowel Disease Grant DK043351, Boston Area Diabetes and PR:FUNDING_SOURCE Endocrinology Research Center (BADERC) Award DK057521, the Bertarelli Rare PR:FUNDING_SOURCE Cancers Fund, the Elizabeth and Michael Ruane family, 2T32DK007028-46, NIH PR:FUNDING_SOURCE K00CA212468, NIH K12CA087723, and the Howard Hughes Medical Institute PR:PUBLICATIONS submitted PR:CONTRIBUTORS Raj K. Gopal, Venkata R. Vantaku, Apekshya Panda, Bryn Reimer, Sneha Rath, PR:CONTRIBUTORS Tsz-Leung To, Adam S. Fisch, Murat Cetinbas, Maia Livneh, Michael J. Calcaterra, PR:CONTRIBUTORS Benjamin J. Gigliotti, Kerry Pierce, Clary B. Clish, Dora Dias-Santagata, Peter PR:CONTRIBUTORS M. Sadow, Lori J. Wirth, Gilbert H. Daniels, Ruslan I. Sadreyev, Sarah E. Calvo, PR:CONTRIBUTORS Sareh Parangi, Vamsi K. Mootha #STUDY ST:STUDY_TITLE Effectors enabling adaptation to mitochondrial complex I loss in Hürthle cell ST:STUDY_TITLE carcinoma ST:STUDY_TYPE comparison of tumor versus normal tissue ST:STUDY_SUMMARY With the goal of performing RNA-seq and metabolomic profiling, a cohort of fresh ST:STUDY_SUMMARY frozen oncocytic (Hürthle cell) thyroid carcinoma (HCC) samples was established ST:STUDY_SUMMARY with confirmation of mtDNA mutation status and chromosomal copy number. This ST:STUDY_SUMMARY cohort contained 24 oncocytic (Hürthle cell) tumors with 18 cases having ST:STUDY_SUMMARY matched normal thyroid tissue. Tumor samples included 21 primary tumors ST:STUDY_SUMMARY comprised of 19 HCC (8 widely invasive, 11 minimally invasive) and 2 oncocytic ST:STUDY_SUMMARY (Hürthle cell) adenomas as well as 2 locoregional recurrences (LR) and 1 ST:STUDY_SUMMARY distant metastasis (DM). HCC samples were collected and stored as part of the ST:STUDY_SUMMARY Mass General Brigham Institutional Review Board (protocol number 2008P001466). ST:STUDY_SUMMARY Frozen tissue was accessed to create the cohort used in the study. ST:INSTITUTE Broad Institute of MIT and Harvard ST:DEPARTMENT Metabolomics Platform ST:LAST_NAME Clish ST:FIRST_NAME Clary ST:ADDRESS 415 Main Street, Cambridge, MA, 02142, USA ST:EMAIL clary@broadinstitute.org ST:PHONE 617-714-7654 ST:NUM_GROUPS 2 ST:TOTAL_SUBJECTS tumors from 24 subjects and matched normal tissue from a subset of 18 subjects ST:NUM_MALES N/A ST:NUM_FEMALES N/A #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:GENDER Male and female #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS HC001 HC001_T Tissue type:tumor mass (mg)=27; Vol. water added for homogenization (uL)=108; RAW_FILE_NAME=0001_MOO_GOP_TC_HP-HC001_T.RAW; RAW_FILE_NAME=0001_MOO_TC_HN_HC001_T.RAW; RAW_FILE_NAME=0001_MOO_GOP_TC_CP-HC001_T.RAW; RAW_FILE_NAME=0043c_0001re_MOO_GOP_TC_CN-HC001_T.RAW SUBJECT_SAMPLE_FACTORS HC001 HC001_N Tissue type:normal mass (mg)=43; Vol. water added for homogenization (uL)=172; RAW_FILE_NAME=0002_MOO_GOP_TC_HP-HC001_N.RAW; RAW_FILE_NAME=0002_MOO_TC_HN_HC001_N.RAW; RAW_FILE_NAME=0002_MOO_GOP_TC_CP-HC001_N.RAW; RAW_FILE_NAME=0002_MOO_GOP_TC_CN-HC001_N.RAW SUBJECT_SAMPLE_FACTORS HC002 HC002_N Tissue type:normal mass (mg)=49; Vol. water added for homogenization (uL)=196; RAW_FILE_NAME=0003_MOO_GOP_TC_HP-HC002_N.RAW; RAW_FILE_NAME=0003_MOO_TC_HN_HC002_N.RAW; RAW_FILE_NAME=0003_MOO_GOP_TC_CP-HC002_N.RAW; RAW_FILE_NAME=0003_MOO_GOP_TC_CN-HC002_N.RAW SUBJECT_SAMPLE_FACTORS HC002 HC002_T Tissue type:tumor mass (mg)=63; Vol. water added for homogenization (uL)=252; RAW_FILE_NAME=0004_MOO_GOP_TC_HP-HC002_T.RAW; RAW_FILE_NAME=0004_MOO_TC_HN_HC002_T.RAW; RAW_FILE_NAME=0004_MOO_GOP_TC_CP-HC002_T.RAW; RAW_FILE_NAME=0004_MOO_GOP_TC_CN-HC002_T.RAW SUBJECT_SAMPLE_FACTORS HC003 HC003_N Tissue type:normal mass (mg)=15; Vol. water added for homogenization (uL)=100; RAW_FILE_NAME=0006_MOO_GOP_TC_HP-HC003_N.RAW; RAW_FILE_NAME=0006_MOO_TC_HN_HC003_N.RAW; RAW_FILE_NAME=0006_MOO_GOP_TC_CP-HC003_N.RAW; RAW_FILE_NAME=0006_MOO_GOP_TC_CN-HC003_N.RAW SUBJECT_SAMPLE_FACTORS HC003 HC003_T Tissue type:tumor mass (mg)=37; Vol. water added for homogenization (uL)=148; RAW_FILE_NAME=0005_MOO_GOP_TC_HP-HC003_T.RAW; RAW_FILE_NAME=0005_MOO_TC_HN_HC003_T.RAW; RAW_FILE_NAME=0005_MOO_GOP_TC_CP-HC003_T.RAW; RAW_FILE_NAME=0005_MOO_GOP_TC_CN-HC003_T.RAW SUBJECT_SAMPLE_FACTORS HC004 HC004_N Tissue type:normal mass (mg)=11; Vol. water added for homogenization (uL)=100; RAW_FILE_NAME=0007_MOO_GOP_TC_HP-HC004_N.RAW; RAW_FILE_NAME=0007_MOO_TC_HN_HC004_N.RAW; RAW_FILE_NAME=0007_MOO_GOP_TC_CP-HC004_N.RAW; RAW_FILE_NAME=0007_MOO_GOP_TC_CN-HC004_N.RAW SUBJECT_SAMPLE_FACTORS HC004 HC004_T Tissue type:tumor mass (mg)=39; Vol. water added for homogenization (uL)=156; RAW_FILE_NAME=0008_MOO_GOP_TC_HP-HC004_T.RAW; RAW_FILE_NAME=0008_MOO_TC_HN_HC004_T.RAW; RAW_FILE_NAME=0008_MOO_GOP_TC_CP-HC004_T.RAW; RAW_FILE_NAME=0008_MOO_GOP_TC_CN-HC004_T.RAW SUBJECT_SAMPLE_FACTORS HC005 HC005_N Tissue type:normal mass (mg)=9; Vol. water added for homogenization (uL)=100; RAW_FILE_NAME=0009_MOO_GOP_TC_HP-HC005_N.RAW; RAW_FILE_NAME=0009_MOO_TC_HN_HC005_N.RAW; RAW_FILE_NAME=0009_MOO_GOP_TC_CP-HC005_N.RAW; RAW_FILE_NAME=0009_MOO_GOP_TC_CN-HC005_N.RAW SUBJECT_SAMPLE_FACTORS HC005 HC005_T Tissue type:tumor mass (mg)=7; Vol. water added for homogenization (uL)=100; RAW_FILE_NAME=0010_MOO_GOP_TC_HP-HC005_T.RAW; RAW_FILE_NAME=0010_MOO_TC_HN_HC005_T.RAW; RAW_FILE_NAME=0010_MOO_GOP_TC_CP-HC005_T.RAW; RAW_FILE_NAME=0010_MOO_GOP_TC_CN-HC005_T.RAW SUBJECT_SAMPLE_FACTORS HC006 HC006_N Tissue type:normal mass (mg)=41; Vol. water added for homogenization (uL)=164; RAW_FILE_NAME=0011_MOO_GOP_TC_HP-HC006_N.RAW; RAW_FILE_NAME=0011_MOO_TC_HN_HC006_N.RAW; RAW_FILE_NAME=0011_MOO_GOP_TC_CP-HC006_N.RAW; RAW_FILE_NAME=0011_MOO_GOP_TC_CN-HC006_N.RAW SUBJECT_SAMPLE_FACTORS HC006 HC006_T Tissue type:tumor mass (mg)=34; Vol. water added for homogenization (uL)=136; RAW_FILE_NAME=0012_MOO_GOP_TC_HP-HC006_T.RAW; RAW_FILE_NAME=0012_MOO_TC_HN_HC006_T.RAW; RAW_FILE_NAME=0012_MOO_GOP_TC_CP-HC006_T.RAW; RAW_FILE_NAME=0012_MOO_GOP_TC_CN-HC006_T.RAW SUBJECT_SAMPLE_FACTORS HC007 HC007_N Tissue type:normal mass (mg)=29; Vol. water added for homogenization (uL)=116; RAW_FILE_NAME=0013_MOO_GOP_TC_HP-HC007_N.RAW; RAW_FILE_NAME=0013_MOO_TC_HN_HC007_N.RAW; RAW_FILE_NAME=0013_MOO_GOP_TC_CP-HC007_N.RAW; RAW_FILE_NAME=0013_MOO_GOP_TC_CN-HC007_N.RAW SUBJECT_SAMPLE_FACTORS HC007 HC007_T Tissue type:tumor mass (mg)=32; Vol. water added for homogenization (uL)=128; RAW_FILE_NAME=0014_MOO_GOP_TC_HP-HC007_T.RAW; RAW_FILE_NAME=0014_MOO_TC_HN_HC007_T.RAW; RAW_FILE_NAME=0014_MOO_GOP_TC_CP-HC007_T.RAW; RAW_FILE_NAME=0014_MOO_GOP_TC_CN-HC007_T.RAW SUBJECT_SAMPLE_FACTORS HC008 HC008_N Tissue type:normal mass (mg)=30; Vol. water added for homogenization (uL)=120; RAW_FILE_NAME=0016_MOO_GOP_TC_HP-HC008_N.RAW; RAW_FILE_NAME=0016_MOO_TC_HN_HC008_N.RAW; RAW_FILE_NAME=0016_MOO_GOP_TC_CP-HC008_N.RAW; RAW_FILE_NAME=0016_MOO_GOP_TC_CN-HC008_N.RAW SUBJECT_SAMPLE_FACTORS HC008 HC008_T Tissue type:tumor mass (mg)=32; Vol. water added for homogenization (uL)=128; RAW_FILE_NAME=0015_MOO_GOP_TC_HP-HC008_T.RAW; RAW_FILE_NAME=0015_MOO_TC_HN_HC008_T.RAW; RAW_FILE_NAME=0015_MOO_GOP_TC_CP-HC008_T.RAW; RAW_FILE_NAME=0015_MOO_GOP_TC_CN-HC008_T.RAW SUBJECT_SAMPLE_FACTORS HC009 HC009_N Tissue type:normal mass (mg)=42; Vol. water added for homogenization (uL)=168; RAW_FILE_NAME=0018_MOO_GOP_TC_HP-HC009_N.RAW; RAW_FILE_NAME=0018_MOO_TC_HN_HC009_N.RAW; RAW_FILE_NAME=0018_MOO_GOP_TC_CP-HC009_N.RAW; RAW_FILE_NAME=0018_MOO_GOP_TC_CN-HC009_N.RAW SUBJECT_SAMPLE_FACTORS HC009 HC009_T Tissue type:tumor mass (mg)=68; Vol. water added for homogenization (uL)=272; RAW_FILE_NAME=0017_MOO_GOP_TC_HP-HC009_T.RAW; RAW_FILE_NAME=0017_MOO_TC_HN_HC009_T.RAW; RAW_FILE_NAME=0017_MOO_GOP_TC_CP-HC009_T.RAW; RAW_FILE_NAME=0017_MOO_GOP_TC_CN-HC009_T.RAW SUBJECT_SAMPLE_FACTORS HC010 HC010_N Tissue type:normal mass (mg)=31; Vol. water added for homogenization (uL)=124; RAW_FILE_NAME=0020_MOO_GOP_TC_HP-HC010_N.RAW; RAW_FILE_NAME=0020_MOO_TC_HN_HC010_N.RAW; RAW_FILE_NAME=0020_MOO_GOP_TC_CP-HC010_N.RAW; RAW_FILE_NAME=0020_MOO_GOP_TC_CN-HC010_N.RAW SUBJECT_SAMPLE_FACTORS HC010 HC010_T Tissue type:tumor mass (mg)=24; Vol. water added for homogenization (uL)=100; RAW_FILE_NAME=0019_MOO_GOP_TC_HP-HC010_T.RAW; RAW_FILE_NAME=0019_MOO_TC_HN_HC010_T.RAW; RAW_FILE_NAME=0019_MOO_GOP_TC_CP-HC010_T.RAW; RAW_FILE_NAME=0019_MOO_GOP_TC_CN-HC010_T.RAW SUBJECT_SAMPLE_FACTORS HC011 HC011_N Tissue type:normal mass (mg)=41; Vol. water added for homogenization (uL)=164; RAW_FILE_NAME=0021_MOO_GOP_TC_HP-HC011_N.RAW; RAW_FILE_NAME=0021_MOO_TC_HN_HC011_N.RAW; RAW_FILE_NAME=0021_MOO_GOP_TC_CP-HC011_N.RAW; RAW_FILE_NAME=0021_MOO_GOP_TC_CN-HC011_N.RAW SUBJECT_SAMPLE_FACTORS HC011 HC011_T Tissue type:tumor mass (mg)=43; Vol. water added for homogenization (uL)=172; RAW_FILE_NAME=0022_MOO_GOP_TC_HP-HC011_T.RAW; RAW_FILE_NAME=0022_MOO_TC_HN_HC011_T.RAW; RAW_FILE_NAME=0022_MOO_GOP_TC_CP-HC011_T.RAW; RAW_FILE_NAME=0022_MOO_GOP_TC_CN-HC011_T.RAW SUBJECT_SAMPLE_FACTORS HC012 HC012_N Tissue type:normal mass (mg)=46; Vol. water added for homogenization (uL)=184; RAW_FILE_NAME=0024_MOO_GOP_TC_HP-HC012_N.RAW; RAW_FILE_NAME=0024_MOO_TC_HN_HC012_N.RAW; RAW_FILE_NAME=0024_MOO_GOP_TC_CP-HC012_N.RAW; RAW_FILE_NAME=0024_MOO_GOP_TC_CN-HC012_N.RAW SUBJECT_SAMPLE_FACTORS HC012 HC012_T Tissue type:tumor mass (mg)=45; Vol. water added for homogenization (uL)=180; RAW_FILE_NAME=0023_MOO_GOP_TC_HP-HC012_T.RAW; RAW_FILE_NAME=0023_MOO_TC_HN_HC012_T.RAW; RAW_FILE_NAME=0023_MOO_GOP_TC_CP-HC012_T.RAW; RAW_FILE_NAME=0023_MOO_GOP_TC_CN-HC012_T.RAW SUBJECT_SAMPLE_FACTORS HC013 HC013_N Tissue type:normal mass (mg)=45; Vol. water added for homogenization (uL)=180; RAW_FILE_NAME=0025_MOO_GOP_TC_HP-HC013_N.RAW; RAW_FILE_NAME=0025_MOO_TC_HN_HC013_N.RAW; RAW_FILE_NAME=0025_MOO_GOP_TC_CP-HC013_N.RAW; RAW_FILE_NAME=0025_MOO_GOP_TC_CN-HC013_N.RAW SUBJECT_SAMPLE_FACTORS HC013 HC013_T Tissue type:tumor mass (mg)=36; Vol. water added for homogenization (uL)=144; RAW_FILE_NAME=0026_MOO_GOP_TC_HP-HC013_T.RAW; RAW_FILE_NAME=0026_MOO_TC_HN_HC013_T.RAW; RAW_FILE_NAME=0026_MOO_GOP_TC_CP-HC013_T.RAW; RAW_FILE_NAME=0026_MOO_GOP_TC_CN-HC013_T.RAW SUBJECT_SAMPLE_FACTORS HC014 HC014_N Tissue type:normal mass (mg)=38; Vol. water added for homogenization (uL)=152; RAW_FILE_NAME=0028_MOO_GOP_TC_HP-HC014_N.RAW; RAW_FILE_NAME=0028_MOO_TC_HN_HC014_N.RAW; RAW_FILE_NAME=0028_MOO_GOP_TC_CP-HC014_N.RAW; RAW_FILE_NAME=0028_MOO_GOP_TC_CN-HC014_N.RAW SUBJECT_SAMPLE_FACTORS HC014 HC014_T Tissue type:tumor mass (mg)=59; Vol. water added for homogenization (uL)=236; RAW_FILE_NAME=0027_MOO_GOP_TC_HP-HC014_T.RAW; RAW_FILE_NAME=0027_MOO_TC_HN_HC014_T.RAW; RAW_FILE_NAME=0027_MOO_GOP_TC_CP-HC014_T.RAW; RAW_FILE_NAME=0027_MOO_GOP_TC_CN-HC014_T.RAW SUBJECT_SAMPLE_FACTORS HC015 HC015_N Tissue type:normal mass (mg)=31; Vol. water added for homogenization (uL)=124; RAW_FILE_NAME=0030_MOO_GOP_TC_HP-HC015_N.RAW; RAW_FILE_NAME=0030_MOO_TC_HN_HC015_N.RAW; RAW_FILE_NAME=0030_MOO_GOP_TC_CP-HC015_N.RAW; RAW_FILE_NAME=0030_MOO_GOP_TC_CN-HC015_N.RAW SUBJECT_SAMPLE_FACTORS HC015 HC015_T Tissue type:tumor mass (mg)=29; Vol. water added for homogenization (uL)=116; RAW_FILE_NAME=0029_MOO_GOP_TC_HP-HC015_T.RAW; RAW_FILE_NAME=0029_MOO_TC_HN_HC015_T.RAW; RAW_FILE_NAME=0029_MOO_GOP_TC_CP-HC015_T.RAW; RAW_FILE_NAME=0029_MOO_GOP_TC_CN-HC015_T.RAW SUBJECT_SAMPLE_FACTORS HC016 HC016_N Tissue type:normal mass (mg)=25; Vol. water added for homogenization (uL)=100; RAW_FILE_NAME=0032_MOO_GOP_TC_HP-HC016_N.RAW; RAW_FILE_NAME=0032_MOO_TC_HN_HC016_N.RAW; RAW_FILE_NAME=0032_MOO_GOP_TC_CP-HC016_N.RAW; RAW_FILE_NAME=0032_MOO_GOP_TC_CN-HC016_N.RAW SUBJECT_SAMPLE_FACTORS HC016 HC016_T Tissue type:tumor mass (mg)=50; Vol. water added for homogenization (uL)=200; RAW_FILE_NAME=0031_MOO_GOP_TC_HP-HC016_T.RAW; RAW_FILE_NAME=0031_MOO_TC_HN_HC016_T.RAW; RAW_FILE_NAME=0031_MOO_GOP_TC_CP-HC016_T.RAW; RAW_FILE_NAME=0031_MOO_GOP_TC_CN-HC016_T.RAW SUBJECT_SAMPLE_FACTORS HC017 HC017_T Tissue type:tumor mass (mg)=49; Vol. water added for homogenization (uL)=196; RAW_FILE_NAME=0033_MOO_GOP_TC_HP-HC017_T.RAW; RAW_FILE_NAME=0033_MOO_TC_HN_HC017_T.RAW; RAW_FILE_NAME=0033_MOO_GOP_TC_CP-HC017_T.RAW; RAW_FILE_NAME=0033_MOO_GOP_TC_CN-HC017_T.RAW SUBJECT_SAMPLE_FACTORS HC018 HC018_T Tissue type:tumor mass (mg)=51; Vol. water added for homogenization (uL)=204; RAW_FILE_NAME=0034_MOO_GOP_TC_HP-HC018_T.RAW; RAW_FILE_NAME=0034_MOO_TC_HN_HC018_T.RAW; RAW_FILE_NAME=0034_MOO_GOP_TC_CP-HC018_T.RAW; RAW_FILE_NAME=0034_MOO_GOP_TC_CN-HC018_T.RAW SUBJECT_SAMPLE_FACTORS HC019 HC019_T Tissue type:tumor mass (mg)=45; Vol. water added for homogenization (uL)=180; RAW_FILE_NAME=0035_MOO_GOP_TC_HP-HC019_T.RAW; RAW_FILE_NAME=0035_MOO_TC_HN_HC019_T.RAW; RAW_FILE_NAME=0035_MOO_GOP_TC_CP-HC019_T.RAW; RAW_FILE_NAME=0035_MOO_GOP_TC_CN-HC019_T.RAW SUBJECT_SAMPLE_FACTORS HC020 HC020_T Tissue type:tumor mass (mg)=55; Vol. water added for homogenization (uL)=220; RAW_FILE_NAME=0036_MOO_GOP_TC_HP-HC020_T.RAW; RAW_FILE_NAME=0036_MOO_TC_HN_HC020_T.RAW; RAW_FILE_NAME=0036_MOO_GOP_TC_CP-HC020_T.RAW; RAW_FILE_NAME=0036_MOO_GOP_TC_CN-HC020_T.RAW SUBJECT_SAMPLE_FACTORS HC021 HC021_N Tissue type:normal mass (mg)=39; Vol. water added for homogenization (uL)=156; RAW_FILE_NAME=0038_MOO_GOP_TC_HP-HC021_N.RAW; RAW_FILE_NAME=0038_MOO_TC_HN_HC021_N.RAW; RAW_FILE_NAME=0038_MOO_GOP_TC_CP-HC021_N.RAW; RAW_FILE_NAME=0038_MOO_GOP_TC_CN-HC021_N.RAW SUBJECT_SAMPLE_FACTORS HC021 HC021_T Tissue type:tumor mass (mg)=29; Vol. water added for homogenization (uL)=116; RAW_FILE_NAME=0037_MOO_GOP_TC_HP-HC021_T.RAW; RAW_FILE_NAME=0037_MOO_TC_HN_HC021_T.RAW; RAW_FILE_NAME=0037_MOO_GOP_TC_CP-HC021_T.RAW; RAW_FILE_NAME=0037_MOO_GOP_TC_CN-HC021_T.RAW SUBJECT_SAMPLE_FACTORS HC022 HC022_N Tissue type:normal mass (mg)=19; Vol. water added for homogenization (uL)=100; RAW_FILE_NAME=0039_MOO_GOP_TC_HP-HC022_N.RAW; RAW_FILE_NAME=0039_MOO_TC_HN_HC022_N.RAW; RAW_FILE_NAME=0039_MOO_GOP_TC_CP-HC022_N.RAW; RAW_FILE_NAME=0039_MOO_GOP_TC_CN-HC022_N.RAW SUBJECT_SAMPLE_FACTORS HC022 HC022_T Tissue type:tumor mass (mg)=46; Vol. water added for homogenization (uL)=184; RAW_FILE_NAME=0040_MOO_GOP_TC_HP-HC022_T.RAW; RAW_FILE_NAME=0040_MOO_TC_HN_HC022_T_180119152600.RAW; RAW_FILE_NAME=0040_MOO_GOP_TC_CP-HC022_T.RAW; RAW_FILE_NAME=0040_MOO_GOP_TC_CN-HC022_T.RAW SUBJECT_SAMPLE_FACTORS HC023 HC023_T Tissue type:tumor mass (mg)=45; Vol. water added for homogenization (uL)=180; RAW_FILE_NAME=0041_MOO_GOP_TC_HP-HC023_T.RAW; RAW_FILE_NAME=0041_MOO_TC_HN_HC023_T.RAW; RAW_FILE_NAME=0041_MOO_GOP_TC_CP-HC023_T.RAW; RAW_FILE_NAME=0041_MOO_GOP_TC_CN-HC023_T.RAW SUBJECT_SAMPLE_FACTORS HC024 HC024_T Tissue type:tumor mass (mg)=54; Vol. water added for homogenization (uL)=216; RAW_FILE_NAME=0042_MOO_GOP_TC_HP-HC024_T.RAW; RAW_FILE_NAME=0042_MOO_TC_HN_HC024_T.RAW; RAW_FILE_NAME=0042_MOO_GOP_TC_CP-HC024_T.RAW; RAW_FILE_NAME=0042_MOO_GOP_TC_CN-HC024_T.RAW SUBJECT_SAMPLE_FACTORS Polled_QC PREFA1 Tissue type:pooled homogenate QC mass (mg)=NA; Vol. water added for homogenization (uL)=NA; RAW_FILE_NAME=0000e_MOO_GOP_TC_HP-PPREFA1.RAW; RAW_FILE_NAME=0000c_MOO_TC_HN_PREFA01.RAW; RAW_FILE_NAME=0000c_MOO_GOP_TC_CP-PREFA01.RAW; RAW_FILE_NAME=0043a_0000rea_MOO_GOP_TC_CN-PREFA01.RAW SUBJECT_SAMPLE_FACTORS Polled_QC PREFA2 Tissue type:pooled homogenate QC mass (mg)=NA; Vol. water added for homogenization (uL)=NA; RAW_FILE_NAME=0020a_MOO_GOP_TC_HP-PPREFA2.RAW; RAW_FILE_NAME=0021a_MOO_TC_HN_PREFA02.RAW; RAW_FILE_NAME=0020a_MOO_GOP_TC_CP-PREFA02.RAW; RAW_FILE_NAME=0020a_MOO_GOP_TC_CN-PREFA02.RAW SUBJECT_SAMPLE_FACTORS Polled_QC PREFA3 Tissue type:pooled homogenate QC mass (mg)=NA; Vol. water added for homogenization (uL)=NA; RAW_FILE_NAME=0042a_MOO_GOP_TC_HP-PPREFA3.RAW; RAW_FILE_NAME=0042a_MOO_TC_HN_PREFA03.RAW; RAW_FILE_NAME=0042a_MOO_GOP_TC_CP-PREFA03.RAW; RAW_FILE_NAME=0042a_MOO_GOP_TC_CN-PREFA03.RAW SUBJECT_SAMPLE_FACTORS Polled_QC PREFB1 Tissue type:pooled homogenate QC mass (mg)=NA; Vol. water added for homogenization (uL)=NA; RAW_FILE_NAME=0000f_MOO_GOP_TC_HP-PPREFB1.RAW; RAW_FILE_NAME=0000d_MOO_TC_HN_PREFB01.RAW; RAW_FILE_NAME=0000d_MOO_GOP_TC_CP-PREFB01.RAW; RAW_FILE_NAME=0043b_0000reb_MOO_GOP_TC_CN-PREFB01.RAW SUBJECT_SAMPLE_FACTORS Polled_QC PREFB2 Tissue type:pooled homogenate QC mass (mg)=NA; Vol. water added for homogenization (uL)=NA; RAW_FILE_NAME=0020b_MOO_GOP_TC_HP-PPREFB2.RAW; RAW_FILE_NAME=0021a_MOO_TC_HN_PREFB02.RAW; RAW_FILE_NAME=0020b_MOO_GOP_TC_CP-PREFB02.RAW; RAW_FILE_NAME=0020b_MOO_GOP_TC_CN-PREFB02.RAW SUBJECT_SAMPLE_FACTORS Polled_QC PREFB3 Tissue type:pooled homogenate QC mass (mg)=NA; Vol. water added for homogenization (uL)=NA; RAW_FILE_NAME=0042b_MOO_GOP_TC_HP-PPREFB3.RAW; RAW_FILE_NAME=0042b_MOO_TC_HN_PREFB03.RAW; RAW_FILE_NAME=0042b_MOO_GOP_TC_CP-PREFB03.RAW; RAW_FILE_NAME=0042b_MOO_GOP_TC_CN-PREFB03.RAW #COLLECTION CO:COLLECTION_SUMMARY HCC and normal samples were collected surgically and stored as part of the Mass CO:COLLECTION_SUMMARY General Brigham Institutional Review Board (protocol number 2008P001466). Frozen CO:COLLECTION_SUMMARY tissue was accessed to create the cohort used in this study. CO:COLLECTION_PROTOCOL_ID MGB IRB 2008P001466 CO:SAMPLE_TYPE Oncocytic (Hürthle cell) thyroid carcinoma (HCC) tumors and normal thyroid CO:SAMPLE_TYPE tissue CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY no treatment was used in the study #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Frozen tissues were weighed and homogenized in 4 volumes of water (4 µL of SP:SAMPLEPREP_SUMMARY water/mg tissue, 4°C) using a bead beater (TissueLyser II, QIAGEN; Germantown, SP:SAMPLEPREP_SUMMARY MD). Tissue homogenates were aliquoted to prepare extracts for four different SP:SAMPLEPREP_SUMMARY LC-MS methods: HILIC-pos: 10 µL of each tissue homogenate was extracted using SP:SAMPLEPREP_SUMMARY 90 µL of acetonitrile/methanol/formic acid (74.9:24.9:0.2 v/v/v) containing SP:SAMPLEPREP_SUMMARY stable isotope-labeled internal standards (valine-d8, Sigma-Aldrich; St. Louis, SP:SAMPLEPREP_SUMMARY MO; and phenylalanine-d8, Cambridge Isotope Laboratories; Andover, MA). The SP:SAMPLEPREP_SUMMARY samples were centrifuged (10 min, 9,000 x g, 4°C), and the supernatants were SP:SAMPLEPREP_SUMMARY transferred to autosampler vials containing deactivated glass inserts. SP:SAMPLEPREP_SUMMARY HILIC-neg: 30 µL of each tissue homogenate was extracted using 120 µL of 80% SP:SAMPLEPREP_SUMMARY methanol containing inosine-15N4, thymine-d4 and glycocholate-d4 internal SP:SAMPLEPREP_SUMMARY standards (Cambridge Isotope Laboratories; Andover, MA). The samples were SP:SAMPLEPREP_SUMMARY centrifuged (10 min, 9,000 x g, 4°C), and the supernatants were transferred to SP:SAMPLEPREP_SUMMARY autosampler vials containing deactivated glass inserts. C8-pos: 10 µL of each SP:SAMPLEPREP_SUMMARY tissue homogenate was extracted using 190 µL of isopropanol containing SP:SAMPLEPREP_SUMMARY 1,2-didodecanoyl-sn-glycero-3-phosphocholine (Avanti Polar Lipids; Alabaster, SP:SAMPLEPREP_SUMMARY AL). The samples were centrifuged (10 min, 9,000 x g, ambient temperature), and SP:SAMPLEPREP_SUMMARY the supernatants were transferred to autosampler vials containing deactivated SP:SAMPLEPREP_SUMMARY glass inserts. C18-neg: 30 µL of each tissue homogenate was extracted using 90 SP:SAMPLEPREP_SUMMARY µL of methanol containing 15R-15-methyl PGA2, 15S-15-methyl PGD2, 15S-15-methyl SP:SAMPLEPREP_SUMMARY PGE1, 15S-15-methyl PGE2, and 15R-15-methyl PGF2alpha as an internal standards SP:SAMPLEPREP_SUMMARY (Cayman Chemical Co.; Ann Arbor, MI). The samples were centrifuged (10 min, SP:SAMPLEPREP_SUMMARY 9,000 x g, 4°C), and the supernatants were transferred to autosampler vials SP:SAMPLEPREP_SUMMARY containing deactivated glass inserts. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY C8-pos: Reversed-phase C8 chromatography analysis of polar and nonpolar lipids CH:CHROMATOGRAPHY_SUMMARY in the positive ionization mode CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Shimadzu Nexera X2 CH:COLUMN_NAME Waters ACQUITY UPLC BEH C8 Column (2.1 mm X 100 mm,1.7 µm,130Å) CH:SOLVENT_A 95% water/5% methanol; 0.1% formic acid; 10 mM ammonium acetate CH:SOLVENT_B 100% methanol; 0.1% formic acid CH:FLOW_GRADIENT 0-1 min, isocratic 20% B; 1-3 min, gradient to 80% B; 3-10 min, gradient to 100% CH:FLOW_GRADIENT B; 10-13 min, isocratic 100% B; 13-14 min, gradient to 20% B CH:FLOW_RATE 450 uL/min CH:COLUMN_TEMPERATURE 40 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Exactive Plus Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS MS analyses were carried out using electrospray ionization in the positive ion MS:MS_COMMENTS mode using full scan analysis over 200–1100 m/z at 70,000 resolution and 3 Hz MS:MS_COMMENTS data acquisition rate. Other MS settings were: sheath gas 50, in source CID 5 MS:MS_COMMENTS eV, sweep gas 5, spray voltage 3 kV, capillary temperature 300°C, S-lens RF 60, MS:MS_COMMENTS heater temperature 300°C, microscans 1, automatic gain control target 1e6, and MS:MS_COMMENTS maximum ion time 100 ms. Representative standards from each lipid class were MS:MS_COMMENTS used to identify lipids based on RT and m/z patterns, and characteristic product MS:MS_COMMENTS ion spectra. Lipid identities were denoted by total acyl carbon number and total MS:MS_COMMENTS number of double bond number. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS peak area MS_METABOLITE_DATA_START Samples HC001_N HC001_T HC002_N HC002_T HC003_N HC003_T HC004_N HC004_T HC005_N HC005_T HC006_N HC006_T HC007_N HC007_T HC008_N HC008_T HC009_N HC009_T HC010_N HC010_T HC011_N HC011_T HC012_N HC012_T HC013_N HC013_T HC014_N HC014_T HC015_N HC015_T HC016_N HC016_T HC017_T HC018_T HC019_T HC020_T HC021_N HC021_T HC022_N HC022_T HC023_T HC024_T PREFA1 PREFB1 PREFA2 PREFB2 PREFA3 PREFB3 Factors Tissue type:normal Tissue type:tumor Tissue type:normal Tissue type:tumor Tissue type:normal Tissue type:tumor Tissue type:normal Tissue type:tumor Tissue type:normal Tissue type:tumor Tissue type:normal Tissue type:tumor Tissue type:normal Tissue type:tumor Tissue type:normal Tissue type:tumor Tissue type:normal Tissue type:tumor Tissue type:normal Tissue type:tumor Tissue type:normal Tissue type:tumor Tissue type:normal Tissue type:tumor Tissue type:normal Tissue type:tumor Tissue type:normal Tissue type:tumor Tissue type:normal Tissue type:tumor Tissue type:normal Tissue type:tumor Tissue type:tumor Tissue type:tumor Tissue type:tumor Tissue type:tumor Tissue type:normal Tissue type:tumor Tissue type:normal Tissue type:tumor Tissue type:tumor Tissue type:tumor Tissue type:pooled homogenate QC Tissue type:pooled homogenate QC Tissue type:pooled homogenate QC Tissue type:pooled homogenate QC Tissue type:pooled homogenate QC Tissue type:pooled homogenate QC C24:0 PC 1310172 1375669 1326890 1247100 1331915 1323195 1232991 1375435 1341669 1242200 1231426 1327708 1318694 1269294 1355401 1296608 1220366 1224605 1298331 1309452 1263256 1184567 1263432 1272213 1163129 1205361 1273155 1262290 1215030 1207432 1172494 1295925 1290511 1257246 1216466 1179388 1236289 1255391 1176521 1274801 1263225 1158709 1285663 1235097 1178133 1280304 1196423 1259156 C16:0 LPC 147167 3763373 383467 1567208 227332 2698824 65764 1521447 96460 128608 207811 464486 114086 379631 270860 1229354 266361 701762 182716 4605446 263854 665300 124933 399508 104301 959057 64097 10040233 109735 1082287 135166 941001 490545 1065394 1287148 1247245 100758 2013195 234298 569315 398899 570964 1240082 1196594 1114380 1185465 1149259 1170509 C18:3 LPC 696277 52598 382445 33725 245122 158780 4645 3228 49996 115659 2394 76036 34405 71396 33179 191922 15412 884819 24942 149242 4491 132302 2846 155817 332499 1901 106767 30615 155560 76851 292892 138297 56173 4990 149692 34976 99433 14116 141633 116470 132791 128520 126487 141054 150124 C18:2 LPC 46047 23086 166400 495727 49274 191468 890 80392 16203 34213 87823 85598 15672 58766 82133 69829 84974 421990 62743 24807 83555 45074 30924 178820 51770 247232 29651 402742 26351 134350 72297 230328 161331 253800 70567 146566 12490 240790 37802 94984 52455 201335 175298 169197 155235 171490 166580 164200 C18:1 LPC 19186 56083 95258 331245 35409 221447 728 72439 7786 18675 43598 50608 10101 46581 55108 69636 37047 241035 31391 60021 51496 30234 17092 91611 23109 106882 13118 200917 12311 85223 38920 115772 91372 201859 142345 77442 8412 183874 27686 70605 37532 129336 105727 106565 95456 99149 100835 101237 C18:0 LPC 148904 2311789 409995 1032167 165765 2011323 45820 652458 114704 132826 227992 255531 133969 361088 262814 856478 249471 565138 222130 5763356 266348 365659 139908 407468 106400 718756 53798 5572767 130382 956842 131965 532569 508324 1191690 599074 800128 140689 2152254 260851 431901 453548 486078 895103 872750 787246 877209 837884 835979 C20:4 LPC 12868 112988 116725 279645 42328 533885 1001 46424 11009 16435 37978 86996 9958 54306 52234 92684 26671 97858 10785 75259 42984 101101 8932 30480 22746 139873 11775 222589 13886 109758 37378 93265 122798 123911 168821 76934 12368 288867 33988 58977 37437 269837 95592 91255 88630 93046 88965 88960 C16:0 LPE 187496 382313 278225 1081110 82971 1741337 88181 2088797 103362 127825 141603 197165 134105 312581 204452 1669242 182539 600996 161889 1157913 275678 141320 99346 349024 57454 2000278 69636 11524632 84585 2007528 107361 1026447 425640 955694 1397226 1746120 52144 2367639 321603 890844 806690 508631 1391710 1351299 1242599 1350425 1318660 1313586 C18:2 LPE 3930 371 9281 62947 850 15360 10705 912 3499 4865 8327 1495 4412 4727 13275 4782 78524 9057 1272 6137 1131 1053 48930 1716 54351 321 62663 2664 23126 5247 21032 20737 41345 7458 14770 203 21405 4356 12907 11122 19703 23463 23675 23393 22902 24003 22683 C18:1 LPE 2424 2066 7305 50224 1656 33670 886 16072 1785 3854 3729 7026 2356 6749 5600 15676 2834 79607 4695 4833 5919 1814 1676 52873 1927 32683 687 32955 2283 21678 5568 16348 15743 44799 22272 13119 1142 18900 7307 15760 12650 27200 22582 22152 21385 22208 21966 21995 C18:0 LPE 54339 79656 70991 215652 35191 753177 17004 850990 42369 79211 61747 41001 38490 82962 66843 581978 44063 211949 57557 155542 91103 44888 36229 94435 25550 354766 15579 3406744 43892 604408 33973 139236 156119 275873 238809 338833 27903 1143107 130627 248282 498924 112198 406375 408122 367163 406520 384874 387108 C20:4 LPE 15800 16170 34133 235876 11056 304928 5187 51795 17121 14504 17223 45579 21373 41804 29836 83517 21333 109048 20480 27231 28950 16877 15030 59229 11658 169993 6620 129232 23327 116857 24464 76598 136749 98256 76526 91491 11263 149435 29518 36884 55530 170696 75033 71655 68753 73285 69402 68655 C20:0 LPE 711043 847364 732843 760028 731112 814544 691560 801049 711104 668460 668670 744434 737529 690586 711611 729832 696551 726573 668283 876188 702283 670455 715304 734429 642867 685239 680458 935115 689332 709503 649647 736387 713572 775129 676665 749507 694264 777026 638812 727779 705714 656783 771251 715741 684623 739557 730300 720531 C22:6 LPE 4949 230 9861 72613 394 47896 851 42622 2105 2132 2158 15256 4830 9616 4730 15748 6489 110514 5150 365 5883 1648 3731 38487 997 29751 1522 49939 1343 21117 7815 29844 31086 25730 26671 23307 345 24388 6020 10946 38872 53402 32065 29464 30012 30676 30174 28952 C22:0 LPE 60 16344 313 4880 3971 216 7946 64 66 167 149 82 1488 319 4707 266 704 11698 398 591 786 4100 13924 381 6381 7244 2567 3988 1534 20840 4343 245 956 2766 580 5084 5064 4391 4848 5248 4440 C30:1 PC 2623 216 27939 341110 2733 148288 1300 54695 989 4838 1909 16226 12631 120252 1144 47137 9240 956607 8410 1132 3575 19621 362587 644 56515 106 117750 1178 129180 4678 74030 143972 350419 94961 99205 673 64661 36139 52017 63548 72630 138951 140045 124202 133602 122703 132838 C30:0 PC 277217 140816 707356 7311352 165021 3854874 164969 1541303 188177 266365 232934 896561 439119 2162371 265400 1402013 324103 17224700 371468 556892 406559 516069 133536 8415345 114746 2496973 99751 3616530 172734 3882028 362290 2563411 4091523 5909453 1860337 3533732 219247 2125075 2017541 2547297 3884140 3275386 3102519 3159951 2923377 3022600 2823033 3030190 C32:2 PC 86847 24244 209223 2106594 45931 966813 32540 366553 48875 86083 71523 242863 107049 648312 62627 326377 123215 4908478 117469 81471 79122 151979 39732 1946874 39745 604764 22072 967829 41195 706099 68365 638692 1074828 1698515 437719 906020 43308 634427 311869 407448 742397 828957 870154 861021 794778 852898 767218 840014 C32:1 PC 1011741 629243 4115852 40868658 673761 16763703 355053 7923794 975714 1454016 1048463 3490239 1382944 6795529 1071471 5652111 1575843 52009175 1258042 1494964 1174085 1428134 728560 22403897 461112 9218440 339591 13479561 621480 14257696 1089690 11282626 12849031 23123790 9150100 32958441 615121 11508917 4932916 7089312 10491645 11622390 12221791 12319280 10822527 11620500 11186108 11909604 C32:0 PC 6999770 5262520 16754868 94343590 2934311 82096463 1873686 77707644 8231533 9003245 7968751 35575833 7127972 26714284 8324004 38308874 8218531 90754498 6586123 15845842 9479344 8494994 5174200 79114567 2714203 73491198 1861560 65358973 3716690 74344380 8468386 38598165 57845736 45555378 46913849 107924305 5272302 47689237 62728935 72909161 106666275 56242277 54007058 55447949 49171667 53806263 51393530 54597110 C34:4 PC 21076 8948 77555 483042 8432 606629 5348 119678 15471 16781 26627 85353 30620 231511 27407 169290 35675 775107 28483 14287 34778 53003 5571 261081 7521 215661 5026 226634 12312 302630 26246 161547 383441 528314 272964 206899 18011 273318 136084 124353 197589 400657 204790 208206 185250 202109 177279 197707 C34:3 PC 634824 186066 1780194 15199801 243970 7818776 125698 5559552 436165 703839 633881 1911102 558598 3116375 469785 2919688 825087 19287416 725937 506057 472191 557983 420840 9011970 276375 5577623 173222 6241292 234510 5781817 461248 6324969 6283045 8069171 2921624 12210344 266445 6286283 2410554 3251575 5173131 6016122 5209140 5258820 4866570 5124495 4769039 5039123 C34:2 PC 46711145 6513899 79793645 355281992 12466417 211339590 3783762 156308464 28230270 41637597 44617197 118092845 24461607 85985491 37086053 150955908 53669197 386356545 52229033 26034023 46776326 26864643 34809830 241148010 22557149 312865762 10778068 278761780 16337457 273604854 30079953 322890123 261063717 180473296 110707864 405301012 18093838 250985887 128994202 162504072 348745530 227136686 216330024 215984630 193464633 210256592 199828863 214974516 C34:1 PC 29598848 11598752 77555909 373912043 14716457 385635006 4718720 149916749 27537236 31936846 36791311 135973211 26068873 108125591 40955061 200660000 35955521 302110922 39003630 31442796 45262671 35913689 29463220 176313338 18494894 266550038 9226295 230165077 16905836 276732173 33754992 270337629 253575501 236890502 259083051 314463070 18323187 256323911 126840368 152299732 335836352 241748603 191014539 193902336 180118598 189965746 178716177 187278941 C34:0 PC 1445828 1560488 2774364 15821195 628114 17570893 399101 7063167 1411951 1078014 1615070 3637709 1481854 5409424 1519362 5341023 1543410 12421034 1148168 2493619 1681759 2308019 1473699 11751824 725597 15582646 437102 8914069 780754 11440049 1508773 10997687 11975508 12120712 4931720 9879332 994223 8752306 9540329 8985858 12328797 15138067 7874785 7551721 7057306 7592641 7048999 7495301 C36:4 PC-A 17295855 2811773 35001520 316185743 4335233 119070154 1612057 61426055 7935569 14085839 17786448 46710314 9715394 47290829 10246625 71496290 22497428 392847070 20315569 6891497 15035255 9868344 12823207 196498426 9464568 403841728 4712465 313043977 6217507 230883603 13855099 205818426 304889736 91911959 41234549 261451610 6412002 205518399 49861719 84346507 307399271 211489430 140216635 143812831 123854231 134174538 128607960 135660972 C36:4 PC-B 20366246 5953527 61766749 231322129 9966767 464163608 2731551 93941122 25450035 26430646 26816054 113770148 17770993 77135197 28906319 206359124 25420140 148851516 21452252 10636978 35599528 30172433 18161623 85603136 13106837 243656909 6195106 165062286 11429606 253594918 23700574 166321106 233554074 94014585 244199363 197790640 16628045 303177126 127482547 126700385 220147618 282128277 141092244 143201360 130421585 138412558 130200263 140195243 C36:3 PC 132326895 21821496 354538322 1654655135 44651188 1328603644 16527163 876132811 105243740 144892670 141499277 429230686 90125990 490781332 135204752 713670431 175481021 1300850666 171448189 75437956 150651252 88995611 124123625 841656790 78404743 1501058959 34739195 1140588422 65396312 1370123347 121637863 1674094945 1239603172 974204920 541613179 2441254650 52714500 879129851 491466321 609924003 1309737448 1002578509 930518689 954148957 853214004 931743912 894415822 944185704 C36:2 PC 52085434 7463488 107344905 327933079 14855441 202259009 2899448 85458597 35425213 37612809 59888014 105602894 33626543 95874698 46528161 120092470 66283408 279044749 70033939 24973412 55692085 24153355 50704201 226675828 30877733 289243089 12468110 216061288 28084509 265854929 44313125 286720801 294306434 240227859 112256216 314212626 21615695 237689324 142756499 140547721 286319738 262278845 186637208 191568454 173192584 184238364 170877879 182235860 C36:1 PC 7905798 5174232 24418977 123922276 4303554 107440986 947641 20446613 7440931 6169070 12094564 27167787 7999755 33779644 10883533 35951036 10711145 72480749 12111282 7858714 13552554 7706665 9413793 48316611 5899741 83834386 2650368 45093431 5604039 77724693 10612657 97380453 93239950 93015515 43486068 84694818 5428225 73155636 36093356 35823191 79413108 86139319 49725151 48809188 45848719 50231882 45793806 47925533 C38:6 PC 1741120 848280 4230544 19438208 351653 29237690 382296 15284554 1075187 1098464 1111955 5736293 1301503 6960897 1646643 9775105 1963649 15726780 1432971 1733679 1900346 2147843 1182095 6589526 671190 15019838 480693 13250445 406646 14820956 1443650 17139220 16684805 8439526 13377519 28081239 660289 17516488 5786764 6286324 26640765 22897929 11527184 11646688 10345527 11303688 10469490 11471792 C38:4 PC 15405226 4999897 67492905 162641010 8524935 390033488 1889316 53627587 24583254 19540569 26316716 86166044 16683621 79753792 26094131 127310108 22085850 99709710 17886122 6873131 32502470 22254807 16461574 66924982 12047751 167240647 5180300 91373523 12639353 199317617 21962145 141227812 195461086 98629896 123500115 171120661 15708087 256466909 112471907 86906795 161154045 266933126 109663705 110821878 102439366 108847992 100454756 105561740 C38:3 PC 4011413 1340315 15255836 66675149 2044219 77957620 596305 24732998 3919224 4555146 4979885 14741240 3987836 33104068 4987337 19785463 5756536 39780301 7138692 4766963 6180883 3204377 2931313 20799163 2084815 58549477 991392 23314181 2664366 70488833 4878492 93706227 55834208 45100485 11941262 133064311 1969118 29153078 22612944 21577772 53663922 65338844 35942066 35438126 33203738 35690884 32510345 34809594 C38:2 PC 407997 585780 812735 33492935 158019 8989198 81452 2806886 336445 420891 641524 5142182 332015 5356315 542340 3854288 483279 7650380 505692 955769 643656 879503 380792 5060098 257201 18798050 91767 4204086 221551 15174826 511117 33162350 20665130 18422731 4962899 18889552 212311 6504552 3532157 4561507 14928905 21877272 7995878 8106112 7568439 8159968 7597804 7909071 C40:9 PC 378809 111692 880987 2739644 55207 4397311 59005 2834402 197061 224112 218452 1045093 281242 1678198 334557 1695777 456691 2152499 332286 409797 415606 471058 266236 1116656 133258 2695639 89016 2197998 80690 2621654 323115 2671233 2785201 1569865 2607174 2937686 108362 3226662 1050280 1108041 3608705 3582041 1842420 1908727 1841611 2029109 1870142 2007439 C40:6 PC 390537 174412 1308553 6767832 126199 10500514 46529 2209116 412754 417148 496086 2837509 389746 3168723 503650 3102001 488608 4134711 405913 205517 536164 571297 313129 2457004 189228 6827284 87840 3919428 205263 7759625 497470 11022604 6861984 6339920 2948368 6735763 239154 4873542 5962540 6798308 6061651 9368502 4238212 4197777 3867129 4103006 3942173 4106155 C34:5 PC plasmalogen 249481 65603 836166 1968326 139271 1372560 58482 863231 434539 332973 294797 682652 324039 767161 383217 978327 272887 923297 342879 112009 457288 259325 256205 1021345 203483 1154095 140597 1193290 221332 1293909 325423 1281585 1476764 821573 934801 2616825 312753 1492723 816266 586387 1032536 1464730 1077237 1107305 978266 1070121 974152 1030495 C34:3 PC plasmalogen 430618 595294 736573 7858379 341884 534002 68392 1421127 291891 292339 409501 3484963 367422 1099954 369205 493548 480061 2080907 509024 1540346 297391 511873 287682 3024274 148852 2568173 79346 2259763 215263 2107194 391458 3218468 1141172 4437688 751761 3420980 247144 1220654 856252 952879 3951780 3159444 2232760 2254886 2064268 2192723 2080693 2194185 C34:2 PC plasmalogen 186493 588563 533189 8070320 182912 848391 166542 1028943 189921 116654 274514 2192569 313487 552098 243713 476951 237077 2310801 249687 655428 195590 197235 169718 1887779 83935 1156907 42158 854962 110970 1125162 272242 1837413 821739 2975593 1011800 2611637 173198 621541 708644 635834 3529434 2686191 1491816 1470538 1339125 1455158 1325854 1406701 C34:1 PC plasmalogen-A 535995 3119081 1708237 23961757 336154 12856558 311179 8652977 813323 922602 846306 1961893 581607 2401892 844928 4205668 653183 5150066 581405 3199049 750329 1106517 543177 3986942 401447 6386241 175446 6144687 372283 7032257 797170 8743186 17258133 9165183 6263972 21057370 485288 5830653 4830452 4886894 5648365 13201205 6503837 6352050 5878067 6317152 5667703 6058732 C34:1 PC plasmalogen-B 6550 100162 9112 464070 1457 64574 1413 70295 6579 2196 11106 64276 7935 43685 8220 29210 9015 121981 3373 57353 9215 14680 5625 110146 2010 67528 440 32749 2053 85148 7711 402458 136335 583323 33769 152144 5644 61613 58829 47505 195609 455896 99814 106549 95479 107716 96921 110434 C36:5 PC plasmalogen-A 15512 40597 16524 133113 2233 81209 966 256859 4512 8346 8884 15669 18199 65796 5713 31044 18820 45364 12448 13617 12867 53734 13691 32194 2237 14543 4922 75346 4439 19210 8563 23189 177181 45243 14862 216352 4402 80141 26896 23523 22278 199897 62905 70241 53665 66491 60894 73793 C36:5 PC plasmalogen-B 1550165 2184851 5089128 39168811 1006113 28729823 306134 11694528 2395593 1946382 2732792 25296213 1830785 8522881 2225380 8524406 2149959 9409449 1734865 2672271 2163175 5983184 1397233 6243343 910393 13874601 484471 11989186 1012544 15483706 2126308 16036682 23342745 14924780 13718584 24384713 1691352 15242226 7055408 6872436 18665987 60806947 15751175 15940444 14830296 15610248 14763248 15185863 C36:4 PC plasmalogen 17323 60046 66452 17190 28197 1770 5677 128512 28684 127714 181933 10804 95866 4562 11299 10277 4873 35650 56434 C36:3 PC plasmalogen 76223 494684 193379 2553151 75899 445188 16605 607866 51102 49659 74374 445099 66519 500827 98173 185899 88135 568173 88693 337079 81197 187945 59991 607024 29992 858617 7675 654286 37947 767326 76286 1918838 705826 2942018 180450 947211 44804 404665 315830 375354 1240033 2574955 757856 755067 739968 787762 720712 778534 C36:2 PC plasmalogen 108443 1405607 232396 3078989 47938 1288069 28397 2070205 71130 79661 102856 193184 87927 457959 110427 388265 96869 923529 99822 903048 106075 298954 85765 614963 53385 967314 17345 1086857 38574 865477 104847 1437177 3143414 2611247 815359 2780873 42722 1005942 521938 677073 662562 2568910 1126586 1121517 1040108 1137793 1033896 1079114 C36:1 PC plasmalogen 13373 728585 29150 517755 3799 153801 4399 367425 7598 14576 12072 27080 11503 69356 13312 59068 16686 133128 14371 332977 13926 59416 7572 58359 2812 122891 2019 75587 5342 126232 12559 261100 495653 335510 80692 414396 5255 137674 62624 73092 117854 372686 136369 141906 129867 134148 125171 140269 C38:7 PC plasmalogen 151640 236620 359378 4349396 22350 1883841 27094 2932725 106509 100552 119134 1612895 150634 936024 127450 578957 189915 1893824 123074 361557 148312 295865 115656 902039 43376 1003014 43473 1211868 36347 1012657 190403 2186672 2057322 1838564 860712 3945637 81432 974310 581110 707747 3572440 5362238 1742356 1747360 1578426 1688995 1591284 1694651 C38:6 PC plasmalogen 406038 556426 1094390 10519359 194879 4174519 81913 2873086 412202 325799 540173 4862832 464963 1655382 488022 1382506 537603 3135945 415721 751798 466358 866341 356742 1837402 194606 2418537 131752 2719056 215653 3051711 454728 4584882 2673006 4288208 2940030 3149445 358798 2295962 1738409 2000864 7944829 8439785 3039282 3183823 2830545 3041846 2790614 2982049 C38:4 PC plasmalogen 1328355 5927529 4277616 28490327 749378 60755270 303398 10713031 1736922 1468423 1735346 2972889 1069647 6489224 1792384 8548499 1507228 9061219 1490978 4909572 2308707 14753390 1099105 4976928 719228 11677484 423393 8837841 863087 13962674 1541771 16894116 63732348 33793999 7396601 27099033 1421164 24588612 9045765 8431600 8752302 93046783 15680527 16155667 14804871 16236007 14110472 15320760 C32:1 PE 3542 3740 28345 152725 2959 60019 1013 33615 1404 6676 5260 26424 12243 29518 4031 26869 10565 155144 9222 885 6192 2562 1972 105736 1169 44129 728 71449 2041 99353 4397 72994 27054 75802 66509 71306 1281 41183 27627 42184 39880 32991 49034 52661 46378 51222 48341 49714 C32:0 PE 168 3031 47243 10914 213 9422 119 368 404 1460 14287 667 5562 414 109115 968 460 491 1144 56818 9934 199 26185 224 19396 246 10429 26572 24133 3269 32653 371 7322 7876 10950 16179 16839 22005 21988 18765 20305 18661 19877 C34:2 PE 832594 31506 972767 3933035 206509 1516118 68050 1249176 406105 707242 625817 1722078 453176 772776 531621 2283242 731304 2702121 904635 145963 721825 226638 530188 3005278 400308 6040370 231378 4072880 317815 4423005 410733 3426899 2060426 2059765 1579406 3065799 247654 2916736 1780983 2770338 5068732 1851075 2435382 2371016 2093594 2272995 2218450 2365996 C34:0 PE 142578 141783 517908 4414909 48041 1805625 57831 2077173 172553 243367 91240 425862 191260 780358 202946 909543 151239 3974638 204499 460490 256776 201242 100674 2878072 66101 1727178 53645 2249715 90697 2204089 193856 1325255 2008724 1241780 652465 10891772 115455 1395666 1278610 1737050 2526145 1637928 1930788 1983959 1733644 1882054 1764496 1962850 C36:4 PE 764029 93998 1473607 5659170 288376 7048865 128925 1698109 642186 757818 638105 2761998 654412 1839766 789944 5778399 718213 1703084 623596 119168 1056125 514662 538012 1713682 451823 8979859 251661 3455244 372439 8832582 549272 3279112 3654170 2334111 5220457 5111673 384110 7269106 3071739 3008822 4953178 5479994 3197841 3219158 2910990 3087282 3019355 3164401 C36:3 PE 959746 55602 1481854 7912862 312167 4020340 119409 2996768 603724 1109199 826627 2147974 621116 1873066 855832 4437443 978468 5800607 1187758 131041 920114 428176 835862 5778863 647135 12842409 286525 7545817 540334 8623194 664962 6834779 4916562 5988984 3225973 7257101 325028 4669763 2531200 4231061 7495095 2861792 4431898 4540352 4052690 4422294 4324165 4563265 C36:2 PE 2656484 293498 4194662 17235873 921155 8304336 290693 6988922 1790357 2821214 2721063 6157998 1823513 4529296 2267455 10190823 2949466 14147283 3894361 342984 2760687 1489818 2536765 13654532 1883282 22207577 873121 20072921 1781980 17355844 1925846 10896383 13931741 11084550 7664522 10981217 1062510 11716765 6997489 9785229 18600570 8556343 10116101 10484026 9529652 10098566 9216502 9978718 C36:1 PE 750640 686371 1716622 10674051 542159 14135098 259564 3869830 882866 1237215 1099205 2795569 902090 4622929 1076403 6420111 944690 8782819 1056892 475458 1137664 1138828 850195 7244861 712137 10305178 402401 8322492 665450 9059469 989609 4911611 8263278 7584916 6088377 3729095 590241 7621964 3916836 5951230 10620895 7459164 5288397 5141727 4898256 5315015 4919915 5086956 C36:0 PE 142317 185937 595488 3172552 39933 1799531 47370 2234503 220795 233004 114064 460280 202675 1074785 257528 1181762 139415 1675508 192375 504838 299179 337907 145364 2355287 71137 2241531 51169 1865775 96270 2467414 199820 1575578 1669995 1500278 1013616 5639821 139441 1439791 1745447 2018802 3263425 1832531 1658550 1719894 1527705 1661612 1535166 1637963 C38:6 PE 91244 6551 155205 998146 26731 1167642 8100 274706 39695 64080 69291 214577 65037 325366 78157 800681 83784 663979 70445 1013 90603 72405 66536 457917 44393 2234237 19417 942934 32327 1494476 58105 494698 1143901 468272 583237 815255 35965 1495028 309415 430243 915900 983437 564005 538435 510829 516264 490405 535425 C38:5 PE 1164326 197294 2593446 12954895 511227 16858966 194972 4030618 1118528 1218165 1119194 4871710 1017819 4233884 1464278 11037736 1181566 4934303 1116939 221074 1628265 1092434 1045790 4659386 823755 19570690 400851 7176417 714212 16762653 1017726 7496517 7688040 6960016 11132774 9212924 668469 11477284 4821199 5090855 8888070 8042345 6184639 6283498 5740501 6199909 5929239 6273485 C38:4 PE 4239416 1752467 9446468 26761506 2266770 54286339 667356 12352329 4276552 4907610 4770269 13981203 3822303 15382711 5022823 25643460 4567858 13843990 4071598 728011 6458287 5299653 3814469 11116105 3230549 32070383 1637816 17417197 3169254 32096826 3974107 12067904 23188902 14250177 17814541 24256077 2986538 32609660 17159882 15512716 21603949 31774557 16592886 16805281 15509583 16382488 15132501 16162650 C38:2 PE 899353 289119 2678829 13902445 223980 6590681 86442 5074053 770309 1080089 748822 2286025 688938 3799764 1142686 4771136 966260 8670595 1228338 784385 1266565 845865 925201 8157897 534415 11095039 269949 8092573 468059 10081100 784158 13319037 10043469 7323121 3126952 27598930 437883 9071533 4240608 5167893 13451486 7444565 7690894 7688265 7019036 7526039 7054575 7433183 C40:6 PE 861310 179711 1780199 9758921 223270 9042950 138931 6523239 697563 729018 647861 4178700 794499 2535321 714105 3537033 962333 7812778 887448 202158 1067821 749930 727556 4268693 319188 5731814 310580 6942646 363539 8498607 892915 6037124 6195342 3651168 5952561 2937378 352073 7057835 3021397 3130267 19803660 7052459 4723869 4885088 4525460 4739525 4418438 4699125 C34:3 PE plasmalogen 375936 31678 310747 1487046 192152 272979 44887 510865 172531 234857 268370 656898 223594 269897 186661 246713 415225 2229400 638347 133433 260722 76121 251943 2225937 132489 932385 75395 922337 168004 852699 215060 693861 676004 882460 318327 1602436 137085 853704 417504 613252 1241012 436955 869690 923915 819628 830276 821485 897332 C34:2 PE plasmalogen 505522 121059 843923 3050773 350076 1187813 566994 1341336 521134 478631 671836 1046231 633905 429650 560584 711679 568233 4120527 754913 361427 618553 170697 483116 3149713 316023 1102978 183725 864897 362098 1291986 634168 1266578 1330552 1742652 1500628 2534137 408616 896911 1242009 981598 2177417 1228198 1539650 1473543 1422715 1512909 1380179 1493984 C36:5 PE plasmalogen 3700023 477584 7494360 22013718 1879231 26845524 551732 11986203 4363575 4171592 4554732 10901975 3243067 8129543 3843558 12605473 4182129 16720289 3986370 504244 4171957 2932514 3109750 12819281 2343128 16945668 1334615 15737751 2393783 18320473 3593483 12993624 22999728 11443382 15222541 25050925 2553269 22059521 10016121 7822204 13390044 21032664 13469176 13679222 12794907 13285200 12690635 13439697 C36:4 PE plasmalogen 2619243 488212 4010534 12464688 1579550 4601392 608664 9482510 1711321 2058602 2316353 3816115 2277955 5906768 2030991 2547446 3349223 10879491 5212851 1225759 2539614 951481 1747184 7798605 1146598 7303729 637871 8151364 1609150 8643608 2285812 10632486 5403865 8820680 2351649 29379806 1201401 2926399 4492071 5210325 6249979 5980281 8258712 8689506 7830943 8362597 7503743 8134082 C36:3 PE plasmalogen 377496 86158 451217 1924195 241749 573320 231214 631019 260555 208536 361015 607505 300285 412248 338977 380184 447090 1747109 542977 318944 406164 142563 342371 1500268 222465 1071759 102788 1091555 231616 827659 313527 1455832 1062922 1554515 611786 1584235 268946 991624 577054 663016 1224547 1112603 972896 939965 906077 1005155 903866 939461 C36:2 PE plasmalogen 201878 74642 303641 1470775 158382 768545 181740 611987 256934 138243 285127 425351 222472 358523 315520 388774 272688 1114125 321773 277823 379778 164214 222999 917192 164311 606003 76405 491115 192049 526971 278547 1201450 858610 1415633 449660 816199 260046 556221 498604 377783 1010138 1161437 678913 673014 631643 659776 617599 680864 C38:7 PE plasmalogen 1401431 124824 1823672 10657479 393567 7584794 285747 9398932 943712 963520 1092901 5546482 1282406 2854656 978625 3200462 1517768 15174385 1427812 218554 1224413 710474 1152435 7249449 540811 3377682 491308 4544560 461602 3955529 1344639 6642654 8767395 4001132 4345466 11292859 651060 4689901 3264168 3239665 10645590 9426484 6300285 6155786 5709719 5884373 5713566 6156476 C38:6 PE plasmalogen 1567152 208426 3633265 14895404 995070 8620510 389728 3498789 1973611 1382602 2218065 6319159 1634878 2823301 1824734 3933625 2131892 8955323 1819234 373069 1847588 1152015 1518247 6202978 1083676 5800401 605235 6203231 1202504 7346697 1570018 8288043 7008122 5985874 8563373 8187356 1532704 5512652 4639117 3871346 6330601 8899623 5740175 6084248 5464645 5815987 5388830 5847913 C38:5 PE plasmalogen 3065039 419008 6259857 16434607 1948026 26252625 535758 6307123 4378123 2586074 4235777 6757000 2393020 8404474 4037792 11262601 3745529 10595700 3291097 732613 4838194 4218737 3324286 7524624 2631647 14158352 1383612 13121415 2324969 12183389 3278841 19702104 22924196 13290197 8689933 8334920 3554260 21191774 7613872 5573186 10227060 30008335 11047972 10886296 10478568 11261806 10408641 10560521 C40:7 PE plasmalogen 824416 56232 1107394 4579160 236741 3976810 169263 3215770 605195 425624 640193 1951355 699151 1910471 685286 1578264 940691 4734383 775082 210700 924499 605611 804302 2549742 365700 1674454 301500 2436143 298954 1805201 858716 6207075 5096054 3017641 1703779 2354246 490740 2108614 2051397 1982590 4433063 7804335 2897445 2774099 2687167 2835120 2607887 2767974 C32:2 PI 4955462 3279531 4776846 3900275 4249175 4146400 3667062 4640144 4340243 4810924 4143933 4200738 4051089 3939791 7070170 4247211 4013899 3786566 4094845 3955050 4047446 3817250 5623473 4866484 4282381 4740521 7333888 4500309 3935425 4156299 3664980 4896484 3532283 3960179 3902279 4367354 5049000 4381815 4633372 4799574 4044226 5410266 3801207 3528609 3538142 3616361 3572453 3696394 C36:2 PS 35699 1605 33795 82700 8831 234342 168 30914 7221 27979 21633 56665 54556 26977 19735 92758 40978 80613 32209 146 25500 2264 14093 25594 9144 112780 4349 181351 17346 71326 12308 84368 221497 32407 20178 141026 14955 371566 67906 70921 14823 77875 70894 76818 65730 73763 66971 73724 sphingosine 54740 12623791 64238 86582 45329 122963 40824 827374 48224 56180 43671 52319 48631 54873 46961 68295 49372 90068 45379 92970 48243 42485 44022 55845 36667 63423 34951 54221 40005 83141 41460 65120 203758 370082 60711 427788 39816 64492 52401 65716 57288 90465 369740 356863 339236 361904 360259 361147 palmithoylethanolamide 24658 65552 24477 28833 24394 29979 22995 111858 24806 23271 23902 24951 24799 24070 23443 27245 23813 25375 23652 24655 23301 21987 22416 24531 20725 23874 22293 24817 24083 25371 22315 24748 24743 27258 24442 24626 22544 32852 26963 25371 24778 25301 31140 29417 29426 29952 30051 30277 N-Oleoylethanolamine 421 21587 566 11171 578 12840 207 53571 469 160 495 555 367 2869 270 6327 519 4277 755 928 405 149 384 2246 222 9228 150 4433 530 9273 437 5571 9703 5130 4549 2903 193 10422 2964 2051 5035 4786 6979 6568 6207 6975 6570 6413 C16:0 Ceramide (d18:1) 290921 13470386 708766 971014 88005 1880403 31539 3121604 444527 224971 312466 194204 225202 376549 310562 820835 285205 2470334 241234 756693 326853 127975 166445 1025541 146850 1144531 58006 855801 155541 968197 263084 1789875 1135398 949455 934616 5286753 128982 1268667 1098661 1098017 743807 1820175 1759041 1722876 1555080 1626298 1562470 1674922 C22:0 Ceramide (d18:1) 252060 911924 287451 1367817 109127 1295580 43305 1537843 228646 173523 237386 352941 197904 362364 246383 677510 234288 1174795 256595 313905 318476 228720 180727 654142 150472 968506 74335 855898 139960 757493 197786 1491457 1506694 1086356 526589 3141186 126319 837734 414041 321125 1074446 1579383 983217 1011213 849660 924706 883063 946536 C24:0 Ceramide (d18:1) 215481 540940 368139 720705 101814 1232369 48752 522947 226613 238010 230443 191264 179590 344365 236956 334676 233375 1093361 268737 677104 269668 200411 155228 719061 144122 1010338 80576 603092 85398 711220 204439 335378 681153 594484 391380 512329 98605 548770 504695 485686 1295365 1137422 580354 580681 484480 529743 493606 545941 C24:1 Ceramide (d18:1) 248688 1110614 507462 674527 157530 1237413 84846 1336276 394193 259541 334764 195426 276983 318709 405642 257833 241637 1011694 279047 771863 343801 221916 212000 884020 195430 660894 80770 836702 158185 749803 313110 668330 767099 945975 687152 2212159 150708 572373 1035238 924688 692967 1286588 839911 848089 722955 768793 753651 778287 C14:0 SM 164110 512281 412151 498079 90175 852300 74490 299105 171716 192127 259042 230948 277335 497272 240516 268222 224712 840880 300655 2481357 262585 262534 101626 278716 114154 343111 94549 267840 131287 594687 268130 370438 300227 283649 217137 324880 159156 387348 606675 499173 293348 458964 393456 386145 350538 385251 365164 387081 C16:1 SM 204433 680406 485979 520323 83555 509630 82310 281791 175690 172085 227113 218354 229765 399792 228885 282794 239304 764658 214148 1782905 201579 254418 130384 345777 107859 320821 71625 146435 107855 751624 167929 193230 250132 305653 323387 596049 204737 305866 468516 389833 139413 657391 386157 387530 342222 369076 343916 369378 C16:0 SM 7083464 14134704 19086839 24687022 3335683 37438290 1500837 13633742 6677436 7351697 11621011 7873820 7337337 11931929 9994995 16457534 9422928 53442055 7930111 31675446 8507677 4163873 5372278 20172155 4085945 21975121 2326726 8757764 4438356 28968190 7046002 13590590 17206035 20646006 18664069 42099284 5289893 25519106 23248347 19114135 14847173 24437103 18581179 18790597 17078234 17702532 17476247 18367965 C18:1 SM 212957 430583 442313 317437 74829 267048 50665 347416 227501 152723 206035 140647 205747 247735 232248 190608 295391 850278 254467 877562 248155 200000 185827 245760 90246 211310 65951 72635 121922 417798 147260 85915 221277 205241 211167 1304456 214306 450852 332200 179366 94194 554337 365128 361857 320328 351925 323543 355209 C18:0 SM 2500373 938516 3988066 3073695 901990 4141431 401634 8448381 2511146 1355110 3058589 2350941 2152244 2302235 3055992 2661418 3617299 11866875 3114371 2709465 3425153 1135021 2295440 3713127 1032954 2979626 761313 963750 1630157 4070896 2230234 2012530 4768240 3623785 2401631 24684373 2178059 9077495 4969865 2445161 3838814 5778390 5770381 5823241 5266746 5651717 5404777 5718671 C20:0 SM 2303536 1525005 3192494 10211185 894141 9768517 256222 12334863 2173195 2110709 3790317 4843953 2028124 3538703 2239305 7797915 3393094 19946240 2787952 2490536 3162994 1342035 2314262 6636717 1086735 6922568 642120 2536234 1412794 8888280 2030895 11360240 14606026 8727310 4644339 83092451 1467633 12552016 3649670 2651137 12981623 12832227 11935599 11635775 11247712 12221370 10841847 11686915 C22:1 SM 544956 3179783 1263381 2263742 235488 2132291 162874 1304231 533676 608278 817197 629984 491723 1053001 648167 1167308 710376 3590156 733166 2880623 737555 670676 397019 1295833 378637 1978572 210283 858298 304218 2832554 528725 1116883 1917208 1672999 1158720 5056025 421465 1435192 1341122 1241181 1087928 2821837 1697123 1707767 1528136 1674837 1586064 1660185 C22:0 SM 3151874 4365700 4410970 16084917 1496963 11481809 506880 5714981 2622379 2731295 5381418 4934291 2958537 3330452 3348537 6900867 4268572 13998162 3926596 6284243 4312746 2260215 2746251 6564634 2124603 14516852 1107278 4270109 1809753 10554543 2717987 6072208 12257173 6678999 5529260 20631396 2189639 8340480 4839670 3255619 12668326 9936395 7289412 7543699 6727173 7009513 6930596 7522913 C24:1 SM 3017029 8513590 6797715 7480459 2129577 10473828 1810510 5879235 3286195 3025347 6298076 2724626 4163207 3277573 5428364 2541609 4012651 8854254 3988649 16873414 4781871 2458199 2871711 6639631 2657405 7625902 1366704 3819190 2294366 9233905 3851731 2759908 6722190 5159511 7315288 11260591 2880024 4869858 10093652 8047766 5798249 7249136 6095417 6382263 5432242 5728296 5685434 6075603 C24:0 SM 1966966 2808330 3199836 4534951 1194280 6218912 761734 1639131 1700850 1775568 3174137 1615723 2301843 2096418 2279577 1647468 2632195 7118590 2654238 7064058 2825351 1577200 1404121 5346313 1435272 5779814 840028 1650020 1009692 3921440 1881240 830311 2678345 1821339 1812268 1811854 1404192 3038058 3194638 2343324 5593037 4566022 3158052 3206772 2676375 2938604 2862015 2952634 C14:0 CE 168138 64415 155010 15036 1272 10573 2572 14334 14937 14026 26672 10113 40433 6054 69497 1050 114538 6086 85940 444 12385 4178 13560 6240 224860 25999 56782 146076 438627 4391 53148 176232 16941 6028 3129 118976 76021 73882 67562 64557 67392 69381 C16:1 CE 1934 815179 589121 676762 222496 44588 163273 86965 324775 257238 312347 279692 165247 262063 167427 310267 67363 784765 95283 571505 48216 109036 113813 171212 113696 613949 5177 198337 7297 264260 383604 1016288 158397 636403 12694 557534 191849 116894 73869 454136 387701 376569 344516 364340 358859 381983 C16:0 CE 16495 1291382 890539 589785 372136 83073 351107 116937 362272 375620 497949 5694 568630 296842 515127 186380 377011 84308 1044401 143470 1010275 94405 241225 187250 263900 168962 827422 7002 355975 25247 423336 878261 890408 288631 982738 38474 1201206 334542 152372 123499 843522 646063 653853 577106 598648 582754 609740 C18:3 CE 35654 1107656 744470 718244 354259 66602 238499 87883 356332 397192 451671 319082 308671 327488 170711 365994 106268 1817593 126133 978886 59791 180567 181426 258467 111425 1261246 4306 169450 15687 412330 763792 1696089 219634 764061 26315 1430633 336175 184138 58243 1050267 608069 567875 544052 554631 512442 546339 C18:2 CE 216042 8134443 6872475 3087585 1499 2151861 748185 2547677 1286277 4117234 4430918 5356205 92691 4649451 2938474 3104027 2164968 2109621 917789 7327593 1472330 8445344 1251261 1696861 2498731 3308047 1881721 4865015 107197 2526119 259303 3010578 4453244 5076528 2333019 5610223 331315 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104348 56761 126621 55312 77256 68303 111461 115069 119375 32140 76933 69467 68799 68674 70417 73353 C48:5 TAG 462620 10202 57445 697714 173092 61966 33894 508119 14465 25673 7178 6038 124342 302772 119810 36106 22121 32899 4259 1712 26598 96054 10216 298935 0 44667 40679 12530 195 217247 41565 395 178 5953 59712 59021 61280 54794 63491 51495 56371 C48:4 TAG 2204509 73736 14463 336581 3970571 448801 482391 177991 48783 3107 12194 7388 2356760 97484 210007 66463 140782 667150 1554694 517587 265656 18216 202051 286155 110475 59333 3052 175252 710892 89261 1578027 44160 239690 322320 91976 39003 1149313 203371 47504 17453 114305 266255 334078 356032 339276 349668 328123 349760 C48:3 TAG 5487349 220252 144638 1307468 9758563 640552 2119935 642476 306988 89721 128735 96214 7937770 295171 961335 182225 732151 2044693 4895270 1135026 1294314 127472 935061 1093674 549841 176409 86049 573744 3035463 222865 6211738 223554 515361 1105039 311198 181490 3809928 333575 199920 104396 242018 568852 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679345 512096 621416 976010 601544 801169 836664 511299 244990 656923 492180 309029 284329 524041 338351 724073 739907 664806 667939 668788 681432 C49:3 TAG 283633 9764 42046 182786 282213 43424 211685 76475 62249 37063 38806 35019 356709 71168 129516 46844 92654 172694 339222 98816 139604 46155 119687 117756 78257 46038 39832 91142 255731 47166 328780 52568 70425 92926 54808 53818 315668 47054 42254 35998 51171 60264 126131 126354 126717 127568 118396 131507 C49:2 TAG 338671 15108 112446 270451 268283 62699 396540 166806 177752 111897 100618 89339 420847 163617 309971 125939 231725 233097 595529 98046 372793 107199 260599 236076 201860 117168 120435 228420 418509 110814 479771 139939 169888 165576 126650 125538 470168 80572 110649 108167 116857 96013 247815 234160 234804 244454 226401 255040 C49:1 TAG 134368 5666 74468 194533 61929 42201 198394 122480 168103 94392 77505 76669 181738 135703 217475 118338 163844 115232 306212 25771 309962 62000 171791 171222 137942 106153 102084 142537 190337 126287 201184 139944 107827 100478 116995 73636 231285 54634 82390 88009 113268 29309 141209 138781 127849 135461 135473 140402 C49:0 TAG 11626 2546 36528 36380 36125 24979 46853 68182 61166 54196 60509 24756 82047 41588 54638 47296 34464 47295 4842 88997 48342 40646 79743 60361 75092 71827 39555 19899 69292 26908 68040 48466 18932 50634 35652 42811 26831 57376 60931 75086 12304 32660 37627 33367 32947 34609 33593 C50:6 TAG 630889 28828 210 88031 592765 249854 64474 79688 243 2 4 531406 53615 28445 11506 29313 211910 309296 228875 38456 602 41135 48098 1546 7220 52228 88026 14536 342092 4532 62750 86265 16747 1002 204543 79894 1644 44572 119139 78069 82727 80425 83764 78485 84724 C50:5 TAG 1497573 131392 16917 394011 2289094 550659 418858 239867 33668 991 8414 3633 1887309 130943 176510 59011 123738 854895 958969 647571 183439 19008 183785 293257 73610 46660 214 177699 523008 72157 1204501 46091 202641 319936 78727 59655 807101 218161 48148 12393 90429 306316 320229 337358 320372 318793 312429 338844 C50:4 TAG 4981066 403049 182887 1954747 7835080 1063090 2394636 923868 288535 76909 141905 98367 6820267 389417 1042622 225464 791881 3392415 3800404 1685093 1082155 150420 1135320 1478071 519046 231424 47433 856939 3105810 332853 5307917 305080 749412 1288174 334319 367365 3833071 634550 276194 129647 305539 991144 1570975 1641110 1512007 1564878 1527248 1600787 C50:3 TAG 9448992 336520 803000 4953170 10813892 1301912 7730098 2520134 1333112 339671 603900 309652 12066030 919607 4283211 601944 3623253 6757197 9672568 2399830 4572558 505740 4580513 4068704 2180436 607047 263561 2604955 9240507 749976 11350859 1046002 1553768 3131839 1067572 1215110 8836354 1000529 884346 456370 629199 1326880 4523223 4161441 4351057 4413506 4103326 4356428 C50:2 TAG 8901072 771139 1291678 5207944 9389759 1884204 8447037 4004177 2856054 744307 1056760 780053 10580594 1317421 6815402 1665231 5717275 5749809 9826611 1585172 7460470 861475 6328891 5312133 3391298 1460056 618969 3643865 9450836 1768701 10135329 2424383 2943571 3737048 2482068 1974232 8944779 2110249 1697243 1087077 2025991 2092236 5515278 5512582 5028741 5283289 5113528 5523173 C50:1 TAG 7403611 1039236 1184192 4112009 6683840 2207379 5122185 3267316 2388611 594636 806726 835429 8222061 1243173 5668406 2072391 4164793 4149232 7725016 1549416 6032004 973482 4922573 4504785 2351268 1528765 526616 2872093 5996371 1936911 8003170 2303425 2564437 3013360 2911853 1595272 6630107 1397584 1325177 924460 1842470 1478874 4148155 4369917 3857173 4002256 3955738 3960588 C50:0 TAG 1319164 1545074 228899 839589 982165 699353 322314 633122 249708 140709 177330 223025 2048674 356247 615681 460946 451032 879545 1182483 483861 1064847 317867 664511 827874 269019 445414 142195 464400 629516 378158 1548860 535113 817476 1141179 340229 302088 1073130 627667 308901 229561 427149 664900 760286 839771 705903 775327 748154 808466 C51:3 TAG 406624 4946 67805 266614 297239 55752 540516 201747 157266 50777 38844 24311 357828 82046 354377 68000 234519 233135 591375 78263 313096 57865 291485 227959 175575 56428 47006 206847 501143 57525 397660 100635 126744 125774 75154 145915 589010 55779 81287 58188 82954 76440 237101 243151 239447 241040 219549 232089 C51:2 TAG 450130 114641 151849 413519 345746 110171 593068 301753 290195 95725 90502 75065 538177 173995 548878 167650 335158 281089 765828 148268 598550 142599 423760 349237 290160 140472 82719 271051 606381 167525 601333 227649 224589 235588 174509 209600 642798 133425 137414 108275 185007 152648 392901 374616 346022 348152 333620 360295 C51:1 TAG 337406 94686 75385 234465 112404 124228 199704 180276 134144 46775 47556 53700 343257 133378 293833 128403 169870 205660 448301 99072 360571 87954 223105 254134 132858 112252 45731 153575 271034 123973 309347 168402 152692 164835 127433 173482 401462 89041 82223 71980 130164 87434 212031 211180 204675 202512 192616 216081 C51:0 TAG 109515 84814 28564 71722 96237 42595 34421 62833 27233 24529 18784 25845 110747 47903 61613 41438 39399 55193 104302 43059 98640 35597 46495 57959 32195 45769 24853 38196 53301 40248 82840 67915 74397 74826 30375 72290 98938 43813 28895 25944 40254 43664 58086 57420 53859 55928 56499 62318 C52:7 TAG 465961 49241 329 96812 347533 214903 85919 123185 465268 59578 18575 3090 21812 303321 179136 274466 25121 212 39035 58194 359 619 39434 53723 3202 278666 1001 40941 73695 3959 2660 132368 59798 423 26588 111463 81331 85758 85744 79719 80174 87467 C52:6 TAG 1079186 251814 41959 436793 858969 530604 296007 339150 32776 5226 21969 10984 1085914 196204 151651 59314 147011 744495 506937 809895 158314 33313 222211 249352 46369 51851 754 229919 304456 86313 874139 67129 195601 312025 75183 77938 504277 266456 61864 17794 110228 440747 307394 339708 309963 323360 304836 339115 C52:5 TAG 6176324 643840 447112 2508470 5135653 1616021 2878741 1752515 527422 214155 383760 200981 4603320 681609 1673719 405696 1279924 4263573 4331555 2716841 1182099 273252 1687985 1708534 717077 348012 113562 1393662 3447371 436777 4091023 541950 901195 1625512 473449 1077140 4964644 1101578 630172 325709 506928 1509060 2074910 2121929 2078121 2030330 2003804 2116660 C52:4 TAG 13181369 1665220 1825009 5481440 11229220 3599933 10561026 5523905 2568877 1068324 1661279 776172 10299002 1756111 6934070 1754555 5584424 9315853 12358747 4098098 5222500 1090849 7145552 5647266 3590504 1418448 518879 4676043 11336953 1634949 10431478 2135555 3611942 4308966 2038586 3882630 13087999 3472580 2698408 1798038 2655518 4296748 6694912 6494755 6439347 6452270 6259484 6603316 C52:3 TAG 14077534 2036951 2898413 7728159 12312888 4019081 14699543 8387700 6054312 2012592 2578661 1409022 13249676 2327188 11773339 3388757 9494187 8945019 14815554 3491124 10801666 1693495 11353510 8204774 7096922 2344907 1248136 5625938 14960742 2921082 13533883 4049257 4505827 5624742 4693757 4060725 15003370 3135275 3724318 2746349 4120913 4240634 8965387 8930211 8459680 8751458 8319855 8670805 C52:2 TAG 14099450 1344299 2499539 5373514 11869097 4151619 14650566 8358928 6194290 1484340 2188362 1350299 14210631 2267872 12579575 3270148 9212013 7276132 15558645 2745164 11566424 2057649 12084007 7346299 7615925 2518137 1174988 3654739 14156164 2758382 14842551 3459080 3269347 3658647 6131359 2588807 14237765 1885993 3250823 2080038 3402859 3269906 7311990 7623535 7050749 7174545 6696497 7218671 C52:1 TAG 10418286 3850930 698986 4413630 9572062 2463140 4070225 2903047 1187925 306198 473255 541720 10239674 930249 4968963 1584170 2281812 3866364 8225907 2537916 5662417 870419 5046631 3252307 1707866 1276006 252061 1767499 6476034 969115 10115928 1921190 2917453 5060756 1684879 1293952 8530029 1505987 889621 615745 1227794 2709739 3932748 4011257 3657430 3720873 3826179 4114999 C52:0 TAG 1189947 1311874 104434 825282 1619862 331630 189892 391435 108984 71052 74138 132182 1401991 195383 283518 259272 165260 407896 647721 234931 500225 186259 452480 340499 135330 282330 74533 161333 408743 147091 1248363 383440 514742 1006743 169954 173907 731494 237645 132389 121200 186248 495435 429228 428503 420587 392862 403298 428290 C53:3 TAG 428913 47735 111906 298341 266665 131142 615248 366677 199555 67041 39100 25753 385912 117290 431996 121093 215246 297799 537134 135490 374267 69237 440066 324648 250498 79969 32919 172864 552185 96744 416817 180262 168356 149833 109009 291760 695288 79437 122596 107130 174311 128293 291763 301645 273329 285048 274270 268395 C53:2 TAG 1224525 287478 140118 591843 976837 199103 803304 506559 213551 64449 50228 46728 1032537 144862 840883 189013 293159 421545 1153412 313531 702029 122720 615330 416639 282664 132810 39397 267732 957203 137057 1077191 274427 308262 397551 238643 450772 1305760 177802 120238 102604 198615 282967 485872 529478 446066 491683 484729 515556 C54:8 TAG 379451 118043 4711 122844 122472 228407 80521 203933 262 1871 342823 97087 21831 5357 29636 381515 112368 406018 20268 3675 56049 83041 1249 2035 63049 33022 19408 216881 6125 48440 83508 1238 17927 78299 85903 11038 761 33562 180165 96113 106647 100533 105172 100081 108273 C54:7 TAG 1102592 477825 116976 677007 500157 956374 407318 842620 59651 32574 66289 42999 909281 392682 224156 126652 260795 1165423 517000 1534112 203512 76247 348930 414715 81034 94387 10178 452445 302772 128508 764270 146384 277400 510197 104405 231808 541029 588216 160724 74240 236485 837153 509522 540944 532404 524606 510815 549064 C54:6 TAG 3421571 417874 413644 1604021 1709559 1301575 1754172 2196459 374917 304002 499381 256633 1459653 611851 1299422 573672 795829 4065816 2794439 2016089 668346 186580 1327766 1616558 577259 309460 117600 1450382 1839587 301366 1698503 498471 997845 1165238 285582 2345071 3194088 926405 1035981 555350 721561 1608719 1669839 1674959 1608719 1620824 1608764 1684051 C54:5 TAG 5150336 1628189 1447402 4345442 4109836 5199144 5192383 5619083 1516630 1197350 1180361 917508 3615475 1930989 3899024 2410099 2512526 7171401 4521771 2895297 2618476 675341 4040029 4708619 2205278 1500953 494405 3932772 4735997 1931968 3885253 2434504 3572175 3217156 2448093 4253180 6027229 3268954 2583276 2020204 3050671 3898041 4100398 4049898 3844069 3975344 3861128 4019538 C54:4 TAG 8909572 2497432 2795947 6959648 8026891 6013835 10720877 8228676 3593781 2075171 1978512 1367138 7774686 2591557 8720927 3395081 5123015 9425859 8455969 4086081 6003322 1178759 8527844 7919212 5313656 2125458 970994 5086261 9508918 2463790 8219317 3830384 4707419 5285700 3998984 5063894 9582384 3105556 3379261 2918481 3682024 5181933 7010843 7037224 6403710 6403539 6257514 6450977 C54:3 TAG 14338567 2191890 2677526 6914741 13835868 4513511 14283771 9165798 4030463 1615511 1763854 1260556 12832764 2024226 12492057 3001459 6542024 8755321 12065394 3577925 8684221 1278890 10595337 7858609 6292356 2072573 994573 3936893 13274849 2081575 13416709 3631300 4070661 4884379 5276088 4008372 13891261 1957061 2721978 2351934 3045676 4424719 7433501 7730786 7015560 7026778 6868186 7566445 C54:2 TAG 14795347 2257725 1062002 6449706 15795827 2588381 6899395 4914483 1665894 555666 586965 712554 11012768 1004763 7676488 1721091 3068290 5327931 9245539 2986755 5916359 795741 7285858 4166433 2593998 1452611 339996 1858376 9170257 998085 11080506 2682568 3406685 5234197 2747724 2101804 11259372 1069727 1086136 1000961 1525370 3510827 4881705 4701525 4473523 4477911 4364433 4841294 C54:1 TAG 4933018 1949638 119233 3457865 6450993 612164 792856 795377 163984 43364 60626 225640 2849061 315633 1101308 419852 338925 1336667 1923051 625207 1242113 244879 1613568 991042 323679 592291 32578 285153 1424457 238380 3030802 1074670 1391276 3221726 542828 354140 2709792 282336 144067 157329 384712 1234512 1083930 1064242 1063714 1061502 1030113 1110034 C55:3 TAG 266572 105821 23822 301062 236952 108749 246203 200091 19169 13292 2919 6740 313793 58404 175961 61584 46218 253494 221826 151587 116847 10296 138928 154055 43927 40948 929 81460 256544 36930 258651 179943 189127 224885 63910 403105 295496 37476 34876 40510 88416 158209 167821 173169 162767 168233 178202 185781 C55:2 TAG 478629 141186 7557 414943 628656 67453 120971 126231 6718 4420 967 6212 390184 34904 130214 46780 23430 191445 195055 102349 96998 10073 117904 131237 18870 46500 1110 46844 197610 19949 300707 185183 158707 275488 55340 255820 268139 24432 8054 22992 55208 122626 132170 133934 140967 137328 132299 144193 C56:9 TAG 456390 442795 32706 210710 88119 601352 104490 615579 3331 534 10283 4610 267821 259004 54540 34602 57796 548943 124760 1089863 32073 20883 92505 129023 5418 21927 506 168982 43902 59120 203400 42062 98331 175987 20240 94571 138922 297352 69482 21133 108944 570171 215666 230025 212481 218197 214976 231071 C56:8 TAG 1684135 1512304 305164 1163857 244434 3390821 664436 3163328 124909 123518 186044 157143 711328 1066473 469055 478510 458516 2189647 587942 3778841 369319 230906 717377 762827 167286 334389 60948 1213771 361787 953357 806520 459820 1098144 1056440 450474 888683 757589 2458567 850840 408674 1261923 3162722 1296820 1280939 1295656 1294604 1251084 1317335 C56:7 TAG 1689181 1253409 642146 1831229 438383 4655280 1131318 4055835 322126 377762 338864 372291 879810 1667969 884692 977383 859913 3481782 889301 2965119 767400 404820 1176262 1530141 377312 669175 161640 1921661 669382 948721 1051831 1077812 1828594 1762333 770271 1728093 1134086 2173056 1172196 813384 1776959 3511405 1912534 1863995 1825025 1862212 1796862 1865005 C56:6 TAG 1010000 1826182 933620 2133160 331192 5105545 887512 3168909 492830 641377 517410 595177 653208 1694756 909004 1457148 812632 3554504 733657 2420668 832049 457130 973149 1798710 492137 965474 228404 1736930 764355 1277406 745515 1700126 2237314 2098642 1248782 1792764 1110426 2549968 1618724 1276880 2204297 3562650 1843432 1881423 1746468 1801274 1766729 1796511 C56:5 TAG 638655 523617 545885 1916528 407211 3432865 855860 1903112 288866 526782 270715 484951 502994 1205514 687158 872813 483319 3578966 609307 1384198 523420 222631 630724 1693401 328441 670187 123311 922010 804412 737682 614937 1849909 1647039 1658626 653364 1680919 988684 835247 1077177 1164579 1524737 2306341 1388912 1440134 1274182 1351360 1279960 1338898 C56:4 TAG 1689622 1542765 780905 4732241 1426734 3684074 1412082 2015816 279138 463042 271035 699111 1497211 1177713 1187096 1108864 623461 5281912 1306549 2319703 867028 373350 997103 2511176 421705 1064600 111814 1401688 1567017 877969 1478478 2601037 3109957 4249324 1078958 2341286 1854427 1302457 1070541 1174145 1766596 4441355 2221287 2426700 2131867 2236296 2250604 2397544 C56:3 TAG 3212741 716896 201495 5405990 5226696 1151402 1773579 1437466 162570 189566 93815 491238 2911711 589919 1370531 654884 391067 4061680 1462394 1258000 810985 200726 1117322 2287825 322998 797270 38347 722520 1892214 446322 2565442 1928292 2246805 3859167 1364126 1272739 2000746 321987 367191 573096 951830 2371018 1817213 1776624 1732567 1720571 1686521 1845330 C56:2 TAG 1898589 576449 45584 4337822 2986498 423525 433775 489930 26770 45062 19187 259554 1324658 263629 442402 328765 96528 1786288 566464 653271 335525 111101 449915 1148822 100641 518588 4794 234635 625204 199021 1330926 1054006 1441838 3179571 714178 410511 782949 153411 93123 154561 435562 1302433 829463 842218 847169 799593 827336 861618 C56:1 TAG 289178 203163 1263 1477311 322093 116090 10303 56879 302 1914 1437 84828 218772 95930 41353 42377 8895 311845 30628 201386 43819 20288 46689 269750 1122 206206 8 29650 39754 46511 216194 286365 453269 1041657 138868 88222 85312 32837 7417 12204 129911 362536 180226 221392 186293 129752 198559 210471 C58:11 TAG 54331 176372 913 14479 188741 1010 244024 460 20837 111219 427 274 668 81694 2142 428155 294 2965 5799 5011 243 23419 3918 7537 286 4639 12215 231 4794 3114 55457 6874 258 16872 179652 44898 46167 45436 50108 45150 49481 C58:10 TAG 262895 1006422 71336 247592 3367 1674604 73516 1748697 9340 6116 26211 28253 66506 512723 60039 105240 57176 621423 38872 2099173 32430 80474 90918 159287 14121 65024 4200 280464 17359 263156 81959 84481 302011 258549 74047 264622 74929 763069 216173 94627 442416 1633058 430110 445834 444133 434991 424806 462203 C58:9 TAG 465486 893217 262226 906072 5966 4592698 333824 3207327 77475 181299 86189 201829 141387 1471307 280737 455600 291327 2563920 125402 2992610 196376 217637 418424 811842 90320 256643 39954 854806 101274 545291 197276 507941 961716 1080296 292065 818588 264818 1231565 766197 551010 1049695 3118383 1164878 1124125 1125585 1153184 1102456 1164557 C58:8 TAG 177196 343919 135951 405123 2018764 166344 1022554 60593 83854 67716 100913 52062 568071 137655 374085 148170 607980 42040 584725 133680 102337 245351 398112 61825 198746 35667 372639 30324 485976 79130 382361 514681 370458 231489 239342 87901 971044 463881 288970 662321 1175287 390166 405848 375766 417880 370819 402744 C58:7 TAG 340178 554126 405144 1075012 28927 3801660 297163 1352628 141474 298510 146148 370652 125799 1309413 340302 577181 314401 2299596 151802 1554800 298813 220602 389114 1058289 148225 442331 83027 589831 189914 557351 180862 1185618 1058213 1150322 287704 615149 328660 760299 985760 906996 1329392 2613596 964545 999014 855431 908328 861967 911119 C58:6 TAG 1523757 2681000 1263995 5123938 267879 11310770 1026941 3708575 524735 958573 528929 1610076 865304 3861661 1386640 1952745 1041634 8558366 860391 5876423 1170451 857589 1214419 3687177 506218 1953315 260393 1927938 1106986 1839490 924446 4852572 4499366 4754971 1534101 2178348 1879354 2304308 3313906 3294811 4683364 10829730 3670252 3830109 3303554 3538675 3374661 3569140 C60:12 TAG 21091 338838 5097 31051 543208 481 638787 853 602 259113 1127 15351 5463 111585 730201 1621 17110 4779 16854 280 1526 472 58721 184711 2838 6688 56384 40800 14311 35589 763 169492 40919 6984 102452 619605 118916 121194 116161 119134 121085 130159 7-Dehydrodesmosterol 45177 1460389 37659 33800 46733 50312 30818 34915 32095 34596 32191 29170 29445 25125 27100 28801 26246 31250 33359 244065 26067 20632 23421 25680 21542 22536 21696 22487 22661 21734 22508 21289 19068 23161 20153 39285 20135 21913 25213 24305 22788 21266 65490 61061 53472 54518 47745 49769 Cholesterol 88949 2720498 191835 404488 38537 536902 13131 331431 67769 60504 131549 92612 84705 137055 115215 175248 110165 533365 127941 2630250 123520 62423 58237 282102 40282 318035 16311 146550 35397 360922 82308 248667 289685 311659 168530 1200823 54097 326374 291654 218590 220940 368248 382003 359998 342999 383202 370292 396141 piperine 3525 14879 18567 1175 8175 37 2119 1455 4237 40 205 3080 5881 442 3299 205 1656 1812 3918 400 2035 1275 10429 117 7898 41 1628 678 5249 7764 2446 30020 1109 14508 2401 2819 10465 19421 6435 6572 6635 6618 6685 6571 Coenzyme Q10_Na 179387 480648 1126407 4886251 54595 1516644 17138 2381333 492401 543977 1296526 6234965 110057 1358730 2156791 2957238 884351 511277 472409 88877 1823210 850903 1933337 757280 1013847 4706692 548174 1718559 364799 6701034 109848 5269804 2946462 1273738 3697359 897856 168425 3502459 1915403 2371563 1739086 1168531 1490356 1477091 1378071 1377306 1488510 1488845 NH4_C14:0 CE 95824 5922 47808 894 842 4729 3843 2317 3160 2031 124 1487 1471 18850 64170 968 8404 1036 322 3604 2014 6753 45402 237 738 3864 26952 166963 2125 7075 148 41695 3092 3223 2273 37626 15167 13608 12560 11872 13526 12479 NH4_C16:1 CE 26193 2148664 481697 1006405 309645 53641 183037 26377 173236 132963 176036 8059 179718 161892 138079 128530 494193 148854 2328466 83766 421273 33162 88179 57879 85347 34798 593482 6501 109482 28052 161964 319716 1427370 83037 742668 27748 568115 105903 46228 20064 692165 500296 484245 437804 444605 439942 478714 NH4_C16:0 CE 17237 1533430 319012 391417 174516 29627 148896 24347 81199 80676 113917 526 162952 135198 147408 53548 215171 41625 1010515 55059 348605 33388 89476 43272 66416 36234 399368 2266 91036 13063 143314 459833 740419 82203 516974 18844 640376 81974 31664 26601 641638 368255 362521 317893 312930 303424 326662 NH4_C18:3 CE 199178 5273522 830668 1425473 1318 686090 121676 431449 83559 313932 350395 401362 35193 352759 426820 310655 202126 920322 322804 6665113 166922 945171 81696 247376 179834 239772 95143 1746249 10991 173714 87213 469632 1040055 3432642 209449 1094544 89757 2349306 341408 167378 63842 2648522 1201120 1073960 991790 994401 942025 1041974 NH4_C18:2 CE 1948547 49463267 15247054 11349587 258551 6827936 2422037 7485913 1726183 5419767 6037143 8046447 974597 8437788 8897003 4649095 4366548 7824643 4500513 48971110 3637714 18652413 3223532 3795544 3824372 4818703 2170816 12467303 516662 3568580 1723460 5054397 11095741 19186436 3471809 16520901 1657745 17008355 3952611 1914952 1870848 21145951 12878154 12487269 11476552 11558946 11306903 12081304 NH4_C18:1 CE 350475 23951960 4421637 7682103 9218 2510137 544602 2128285 442552 1484775 1174344 1053854 154286 1322504 1681387 2762081 633436 3062482 698886 15889132 927236 3823706 388528 1890160 718350 1061145 521868 7637845 79730 1357840 337033 2664514 6104367 14711657 1565974 6807919 359583 7875696 1121714 608667 351312 10110996 5461589 5549350 5017267 5010432 4748262 5254121 NH4_C18:0 CE 1300 1699554 55668 178001 27624 1102 30027 312 2382 3837 204 4171 11520 47931 2633 61334 4226 395482 6559 43649 35114 516 4707 1482 149700 13736 211 60321 208134 820041 2896 225113 1903 409301 24174 4906 435 756532 197213 186241 159988 160826 161326 179712 NH4_C20:5 CE 194188 13440606 586603 810498 5033 622647 86501 380080 39888 237569 190998 259892 122241 630996 298915 161834 159233 400907 182904 10594098 115255 657519 87361 300598 84383 123721 100287 531145 4524 72605 83507 92827 254479 1024536 116622 865604 63838 1407456 133927 85850 86535 2356729 1010392 1004958 824929 800852 823472 892386 NH4_C20:4 CE 471262 40102535 5976457 5396146 73678 6254442 537250 2791333 728255 2709638 1479833 2306175 333399 2987411 2536310 1414780 743346 1475805 564109 34032134 968948 5478335 575032 1049594 847909 1325699 521791 2251373 141943 1456493 675412 1031791 3290102 7827064 1748282 11600888 693667 10425098 1134326 782642 482652 14753027 6564650 6547647 5809107 5654887 5788220 6128278 NH4_C20:3 CE 93060 9075541 2150924 4119276 2410805 160865 1542761 147083 744161 287496 126605 26765 722753 369387 954879 145221 875969 220144 16150141 253734 1170237 46851 644431 118521 356100 186433 2141913 5958 766030 152743 1323803 3727227 8888170 315890 12033035 79973 5919586 526774 353091 124461 13333898 3639224 3638939 3348064 3295129 3166076 3327823 NH4_C22:6 CE 222436 52227107 1000722 1412629 778142 119464 1096636 58705 261324 119286 120196 49422 535446 253819 277059 154234 657773 136665 12114608 134431 750536 87920 453671 76269 128357 135997 585616 832 109532 153425 166967 1372812 4933784 117345 3116810 43488 1913767 189229 149921 96950 10956128 3658360 3333517 2977276 2998359 2885952 3095183 NH4_C22:5 CE 35745 8729884 573855 994721 620203 27090 290942 41336 208098 70569 12261 925 142994 62047 201643 26071 279168 28158 6593629 69614 269009 2977 318340 16946 60562 59227 366532 170826 23498 153619 703688 3804709 94189 752869 14357 1845459 259005 190843 40218 4715476 1220951 1174802 1061400 1074672 1023606 1129485 NH4_C22:4 CE 12932 4102250 627450 1281677 815064 28346 386403 49865 339468 79264 3294 104567 69909 274730 12375 187006 18641 8746962 79370 269900 1734 250107 26312 107596 46497 380472 313166 68335 369753 1189312 5439778 195850 1388127 32259 2487348 464010 337739 75386 6225988 1385213 1459619 1227716 1229715 1171100 1223061 NH4_C18:0 MAG 695502 1045056 681110 690840 680637 758884 636011 771047 687471 649788 652774 678541 688282 651740 692146 693769 670679 672503 660073 698143 678128 645874 678502 702083 638326 668535 676376 734913 688132 661123 654985 699885 728848 756362 648885 692187 679665 791608 672461 708961 684905 701681 733954 699745 679433 724427 698099 716312 NH4_C32:0 DAG 367852 252260 197059 786098 344650 1055489 76695 399789 194136 107429 154403 211105 277198 260129 173384 298379 159068 690621 247475 157011 174343 89933 160516 419606 110995 450079 103142 440964 149160 545125 218275 425185 684100 882090 411853 633250 141643 544011 298453 268858 314881 706662 481296 446774 416842 451815 397417 447283 NH4_C34:3 DAG 177006 44165 33445 606390 363823 345404 15761 135188 28184 11364 29555 39321 241240 112285 34209 47793 43547 427394 128199 44169 33135 6156 43052 190994 11383 88264 9853 163103 68798 63004 132066 144350 230680 496448 80088 122888 38028 108266 26377 29992 6573 128743 161966 170831 146085 156178 146861 151028 NH4_C34:2 DAG 2284622 538220 663477 4485261 2667131 3518820 175798 2109060 667065 290732 717822 813274 1758437 1015577 709105 1418975 662731 3776407 1388064 541284 608219 179100 751246 2031422 372532 1932270 231405 2284816 705745 1614604 1297118 2338655 3184690 4869689 1481179 2618917 552455 2130643 1176132 1085574 1084393 2513271 2238515 2240624 1998033 2089694 1912382 2096922 NH4_C34:1 DAG 2312627 924729 831305 8850851 3029911 8242925 250759 2616466 717613 319031 658302 1108862 1676849 1318020 950213 2507500 710507 4152426 1395541 642240 832758 322718 906203 2493811 414723 3018073 326787 3033414 826135 2898465 1464818 3541708 5070766 8306607 3980803 4166403 653514 3207059 1271190 1147361 1497831 4090444 3101785 3113626 2687216 2961455 2680869 2877895 NH4_C36:3 DAG 1850334 797753 631221 6352972 2216100 7416400 160801 2410387 595811 329851 565128 756824 1026334 1090696 709906 1757143 559114 4574744 1110236 717091 470625 167678 723704 2438910 317543 2304584 227026 2584749 645093 1716882 1010891 2705381 4312129 6116409 2075268 4006831 398587 1875318 946390 1145392 970809 3038737 2577953 2479493 2255223 2394718 2222771 2351127 NH4_C36:2 DAG 2251198 1205989 866949 8963313 2859596 6478005 227082 2397426 792729 371726 909762 937007 1336540 1057479 1151520 2061139 863984 3867814 1455398 844783 869034 268653 1269427 2578924 554234 2779872 336691 2176250 864621 2153062 1445630 3409660 5457596 8053551 3562940 4795753 613407 2431393 1435238 1261310 1186097 4509046 2914209 2833798 2480695 2709691 2575864 2716666 NH4_C36:1 DAG 510297 592555 235097 2296991 384725 1775799 51509 588568 220755 98393 239051 388830 309254 369290 298977 499941 224248 877551 341375 316705 287765 113278 345062 554260 160029 767547 97258 344558 194902 562031 330329 1050945 1740883 2492291 774252 1073172 191268 624443 401529 315990 318720 1168364 743813 771512 637042 692032 662604 705600 NH4_C36:0 DAG 1163275 1215197 1163075 1200286 1142871 1128970 1232799 1086835 1183772 1171960 1071513 1182944 1128205 1081552 1197830 1097188 1060158 1135461 1153717 1093081 1160134 1087234 1162745 1061409 1190578 1104233 1211797 1152840 1104693 1107051 1153239 1282735 1200372 1327011 1169775 1126961 1168411 1181744 1052484 1038677 1146611 1214779 1235359 1234361 1073434 1175331 1084047 1168314 NH4_C38:5 DAG 231358 380760 205716 1124070 121065 3631750 16638 438030 146931 45638 144272 219259 157517 399847 165126 700789 119604 548468 156490 189907 135157 58329 128830 248343 68611 669565 45184 574645 68566 651471 146872 585231 950498 1307977 801046 295798 116731 928587 553822 330719 322778 1141601 521397 511309 455757 479486 447428 464157 NH4_C38:4 DAG 957232 250217 792208 1659014 478233 3977469 145653 1099673 556524 182003 914502 662674 653212 615989 819633 896184 787835 792889 1046941 240377 990563 337903 785550 404957 464475 1109332 335900 1240555 373155 1370715 872711 1288786 1976071 1185220 1434788 630402 1258372 1961278 3310948 998973 1026361 3211651 1211710 1200616 1070326 1160999 1120497 1183274 NH4_C41:0 TAG 66755 6803 6820 11561 215403 9251 19591 11766 8099 6629 4924 8326 243935 8975 15739 10285 7840 9100 100720 14863 38044 6289 15389 7923 11058 7766 9340 9881 33963 7513 128933 8068 8428 13860 8659 7672 56392 10117 6659 5544 8734 6955 22458 21534 18555 19483 16271 18555 NH4_C42:0 TAG 1481144 89908 61648 140478 5895263 120833 199878 98704 76154 46297 50309 56204 4027336 84393 177801 64410 122097 171671 1796044 157620 502039 62899 186267 121717 130331 72382 54602 92406 489703 74316 2162249 67056 111384 207766 78555 48090 798638 91559 56015 48088 65156 85797 302302 289075 240900 245477 232236 249931 NH4_C43:2 TAG 53257 9363 2146 5528 369472 5790 24588 4709 3063 2524 2384 2643 344059 6041 10154 4741 4846 7422 74554 13112 23735 1587 13719 6250 5654 3003 3609 3361 38394 2507 168793 3851 4259 4085 3293 3166 55814 3153 2071 1801 3786 3000 18606 14720 11565 13222 12096 13566 NH4_C43:1 TAG 130127 30799 23359 34453 673784 27282 65203 30238 24690 19329 19231 20171 648109 31361 39229 26928 24615 33057 194293 38653 85941 20009 47235 26533 32079 23061 21986 28293 93629 22655 354548 22738 24849 31303 23352 24502 124316 29028 19241 17878 21160 19738 57097 56700 45191 48174 44566 51040 NH4_C43:0 TAG 259980 72764 63090 75756 518855 55919 79119 61856 59138 55489 45972 53355 404703 58331 84220 61977 62880 77299 284527 68339 121949 57645 67037 61443 63643 54418 57152 60258 107977 51090 264094 56779 62739 78744 53772 53728 171587 64031 46462 46722 52490 62620 85475 88130 73091 72325 68217 78349 NH4_C44:2 TAG 2063032 107052 48507 205874 10375089 178843 598609 155684 67993 24952 32412 29700 7986663 81275 314358 58711 122149 261909 2532189 237214 728458 36802 370954 184668 177057 60518 32626 115878 1068518 81845 4475093 54057 155991 175271 82393 37336 1695160 89115 56880 29466 70512 99789 481868 473341 398361 438254 383334 423407 NH4_C44:1 TAG 4113130 194310 101313 514961 22822845 319907 1012647 266998 159634 70083 82136 77536 15049695 169007 592144 130545 323223 594762 5302800 482022 1489978 96573 668835 359490 364193 117773 81973 233373 2015168 148860 8978106 116400 263701 524786 196964 83082 2810685 171408 108670 61224 115218 204553 943622 960549 772416 791832 744491 815273 NH4_C44:0 TAG 3863186 262238 148342 570408 12613468 355894 494933 280875 194571 136319 129468 137938 8049913 233286 442384 182769 342580 722071 3318914 458094 902249 158766 420026 447392 257429 199487 136648 301310 988659 221377 4108596 215781 332238 909934 221929 137712 1745367 250878 152280 116401 206886 303694 698695 737235 590072 579116 560775 615785 NH4_C45:3 TAG 50522 5928 614 3499 242108 1182 19499 2953 1501 209 201 955 253293 3059 6417 735 1462 3559 65131 10887 14410 203 18392 835 2388 2461 466 1527 59256 469 152471 1089 2271 2336 1304 337 47092 2269 1566 1345 1195 2258 9436 8458 6811 10411 5392 6838 NH4_C45:2 TAG 302869 106582 39479 69826 979849 45871 125979 54009 45739 38809 38658 39752 839003 61838 75069 42128 47778 75147 343773 78658 123662 40599 80740 53718 56964 42255 43135 47656 173150 44884 510936 44670 53354 58130 44070 41035 241984 54075 38560 34777 43957 46539 98575 95243 78023 79502 73944 80773 NH4_C45:1 TAG 561877 191104 99446 175671 1660211 105244 205376 120844 104216 93148 86624 87055 1269534 137674 156240 112322 116035 165419 656508 157320 239219 98123 149113 122247 117545 91707 94843 116448 296566 98364 807771 96762 109202 149820 99772 86588 415849 115892 88663 76716 89513 121370 187034 198189 158880 147619 149297 169713 NH4_C46:4 TAG 362128 31017 383 64921 1322952 178872 107193 42299 1221 206 1091415 10719 48279 14804 6755 99822 326652 86631 73814 59940 46094 15947 10041 39390 141920 28195 588131 2913 73448 34945 20757 2062 261528 43454 1791 591 18762 47037 84984 79105 68371 75693 65690 71544 NH4_C46:3 TAG 2159653 104105 32617 289555 8807480 248184 562632 162109 60255 18594 24717 25424 5219616 86699 271793 49098 134963 456672 2042598 319935 437457 29005 300275 223566 139564 50910 20697 148674 841029 67096 2805687 46986 177341 238002 86209 34918 1291366 113153 45987 22294 60756 139610 403158 401331 320640 342330 317777 347623 NH4_C46:2 TAG 10361689 386454 167425 1121141 39322803 637881 1842439 547684 294369 114680 139738 129483 19053702 296897 968786 212834 687448 1637196 8603744 1033235 1689361 154673 961810 823876 548980 211983 127993 492452 3363727 274714 11133426 249537 552438 1076933 321007 158998 4984980 383020 192617 120066 281470 528891 1576524 1626590 1311721 1266700 1239379 1353377 NH4_C46:1 TAG 17543201 657217 297719 2490650 64989962 1020905 3032151 1003632 587472 208395 233858 211667 37496027 527874 1810474 381492 1456535 3030869 15490455 2042733 3499024 279889 1787075 1584618 977762 366930 229743 908473 6365676 448048 22014229 475947 783318 2678194 653096 281868 8264081 547526 321282 189004 410041 836873 3037564 3059381 2504637 2426316 2416774 2672253 NH4_C46:0 TAG 8968879 695464 367794 2017258 18057670 830886 1467445 818270 517274 291740 282585 309197 16472549 553124 1503481 397235 970315 2856768 6460808 1213779 2417094 365872 1250700 1447420 554114 445373 282339 938083 2668361 495705 8440021 605437 956781 2319217 479290 351196 4157285 570146 340133 288792 399705 854406 1988761 1858699 1757351 1738959 1634423 1776191 NH4_C47:2 TAG 1262055 247928 128983 318271 3307029 161494 375293 192656 147879 124210 109521 117278 2261180 203019 238002 144630 181261 338135 1073046 288966 336822 124410 233569 220459 168589 123419 123485 183200 539550 133909 1356419 139295 165630 246640 145635 126590 787809 160309 117609 107012 130983 183283 320187 328052 261366 260925 248877 280293 NH4_C47:1 TAG 1845280 255225 222435 636049 3371127 254615 587739 314508 241884 196638 174531 181821 2659150 312529 437571 230725 312105 563849 1761171 482089 595013 210653 390915 348826 275694 196937 191495 326497 922130 209517 1996868 229689 262067 464455 228486 213643 1213351 247915 189878 180422 201568 288203 530718 476162 453445 454252 429968 470640 NH4_C48:5 TAG 554022 29637 73735 1144206 183492 74224 35620 255 136 961 738295 14187 26095 5613 6329 135728 352466 140707 43229 31790 41281 5749 7458 27820 121462 11860 397592 1069 53020 44753 15696 605 235842 49655 1030 7943 62969 78976 73045 57920 63232 59689 66173 NH4_C48:4 TAG 3289246 151678 20796 442847 9278012 576929 554273 204773 53739 3943 14994 11428 4248088 103150 219622 71865 149803 818773 2098839 616650 310008 21236 228424 323309 122432 64549 3025 194418 827265 99996 2371981 54642 265624 342408 106302 46198 1375764 234022 48582 12687 116133 298917 454917 448160 377853 391761 367396 397671 NH4_C48:3 TAG 13313919 501982 169312 1830293 49878783 888603 2900921 829107 332059 95427 129435 96622 25180144 338365 1127129 197233 829163 3116090 9255954 1767125 1622877 136703 1098365 1345625 612882 191218 90413 652054 4450801 259940 13549313 262770 603947 1384408 337569 203768 6155688 421662 219898 104098 259397 714039 1999988 2056467 1622754 1630169 1662209 1781939 NH4_C48:2 TAG 45098049 1660415 631675 6706156 133844033 2011388 10382712 3012128 1203877 333276 442203 337262 79580690 944779 4604179 579237 3334766 10078327 32127255 6077444 6867640 502212 4615537 4129430 2036654 629784 330834 2261703 18139206 815318 50532377 972584 1795386 4924834 1080358 790718 21551475 1166893 706756 360041 751023 2492773 7416938 7259478 6326195 6212443 6231496 6613269 NH4_C48:1 TAG 44445951 1970397 893984 9891338 109650213 2365538 11848594 4034844 1749846 431079 495162 470421 73990372 1264833 7957003 894667 4636292 10633014 32660411 5229052 10722709 755801 6642307 5537368 2275723 860034 410738 3390515 19619537 1104602 49096694 1580509 2382593 8017290 1490295 1193058 23114643 1410100 811455 444077 786842 2866702 9167752 9173378 8544111 8193770 8139253 8416283 NH4_C48:0 TAG 11876588 4661198 870303 4865179 16436593 2207038 1826789 1997209 807895 407737 490305 590846 18424929 982917 3496857 1023476 1790218 5224529 7277688 2922716 4245876 669897 2534441 3676159 807923 974180 438777 2381559 3689542 1194135 10004029 1438560 2949144 5276729 1112809 1280604 5590053 1929439 624294 523624 1072920 2672768 3456157 3494083 3275048 3168332 3066299 3182342 NH4_C49:3 TAG 1235836 112081 67001 328086 3128430 103096 366029 156867 76787 49430 47686 47532 2079788 109023 184327 60168 129893 368975 947352 319435 223223 59111 176307 175704 99558 57102 53164 138625 535665 64084 1223224 74265 108206 175203 69595 86124 743206 87845 63335 44974 66866 135844 261495 262629 219938 208335 211863 233033 NH4_C49:2 TAG 4227543 381365 264789 1200039 7775978 344930 1378726 600802 321934 195042 161665 175301 5516044 368029 881596 228502 523952 1212218 3418373 988799 978884 225783 705405 609679 363231 209320 176322 563144 2018706 221670 3790920 292241 458302 726204 243539 388978 2788276 340996 212495 185670 221989 526540 972732 919738 886177 860231 828056 889752 NH4_C49:1 TAG 3586063 488445 310499 1531088 4663025 384857 1280722 746576 384574 206714 186947 207454 3879986 407103 1305640 314486 603619 1015270 3252747 841643 1397478 288394 827619 729555 389879 269270 202040 716244 1843637 311546 3126079 411945 577809 987888 317115 515994 2625309 373260 231558 198615 273151 538045 1015748 976816 942283 932413 901945 939530 NH4_C50:6 TAG 839212 62833 241 93676 1139797 260866 66641 81301 1421 163 822699 46657 27824 7099 25324 226511 371042 245302 40953 565 53641 54508 1462 5077 54057 125673 11516 466569 4447 67695 84436 11618 2747 218833 74908 365 35855 109463 107283 100884 75543 81686 74262 86881 NH4_C50:5 TAG 2716759 323626 39216 574721 8038062 708799 525339 300009 55178 25541 26866 21064 4640093 158339 210753 78903 153893 1214495 1504921 859715 242740 32141 231209 369900 100648 62239 26351 214701 702762 94110 2215053 79973 234355 384097 106053 76077 1098624 253558 76044 26252 98528 359404 487026 506498 406197 392405 384396 418302 NH4_C50:4 TAG 14357195 1110684 210539 2910466 51146783 1610975 3473864 1301049 310819 77256 145844 85545 27946977 436399 1298146 217748 933791 5837056 8038062 3381114 1413343 149121 1379939 1896592 582360 224324 50107 978105 4958449 330733 13631354 335654 847075 1715906 348022 411745 6787845 769371 294767 127569 314772 1367401 2488782 2517944 2072698 2083953 2034055 2176629 NH4_C50:3 TAG 64931610 3186966 1240391 13275845 171739292 3557330 19250792 6025373 1773108 443066 737381 410108 110202570 1407248 8038858 779853 5712710 21897643 39748608 12207691 8438541 708210 8204139 7556124 2988119 777878 334344 4509008 30276222 1063116 65408093 1545410 2702163 8244099 1456828 2363732 32934859 2181257 1232516 587834 957797 4523241 12376556 11171255 10590143 10580801 10118396 10827859 NH4_C50:2 TAG 114560539 8999196 3284737 27126386 235135823 8118144 36480114 14870003 4824116 1179578 1680664 1345553 148373966 2934823 25147100 2881008 14668958 31568850 71010408 18133181 23550144 2057548 19391990 15225464 6134440 2437526 855186 10835930 55688169 2958486 101981821 4742703 8369122 20121560 4346212 7031347 60292747 6957499 2859036 1602487 3319673 12373247 24441370 24166275 22308347 22316703 21259514 23274385 NH4_C50:1 TAG 89146227 10974514 2769798 23030904 141237959 8395988 19983526 11199088 3972688 896889 1163730 1260220 90993339 2466590 22239783 4034700 9726918 20817864 48414231 13991122 19593569 2020465 16248588 14296255 4241904 2718671 789598 9687913 32137811 3350583 69170624 5203558 9195672 21045735 5805654 6111098 41873933 5047916 2226176 1518697 3309538 9664534 17803608 18842852 16518568 16389990 15904637 15884323 NH4_C50:0 TAG 7925270 7461665 383105 3334025 11141339 1548027 843548 1422842 347491 186099 223670 295670 10387178 526975 1503628 683622 740282 2632797 3636991 1799204 2224925 448495 1491042 1804331 420378 652117 176235 901155 1937860 543457 6662038 1011640 1925284 4894335 541317 668062 3804198 1174889 435667 329313 639375 2467143 1991196 2160127 1757505 1820381 1776443 1938409 NH4_C51:3 TAG 6198061 437158 233751 1637045 10925583 420918 2319291 969267 334574 109231 97428 74916 6315951 264919 1372535 176173 666434 1605489 4422631 1292329 1240768 178724 1042836 793394 393442 148927 84582 691516 2981475 176174 4501422 283629 484989 857780 197406 618842 4387349 311094 185660 123364 190444 669683 1264595 1276816 1223713 1150768 1110249 1155648 NH4_C51:2 TAG 7725056 1116540 373941 2549323 11800014 579924 3092809 1324016 546145 171184 153932 136687 8251835 398981 2496000 345455 911524 1753810 5987348 1749784 2108276 302367 1715810 1279896 607057 293546 155402 989068 4301728 329083 6441247 537846 885190 1580631 400624 967813 5499380 535309 277049 214016 375558 1122501 1779853 1813179 1686201 1615510 1557019 1623517 NH4_C51:1 TAG 4014853 964492 185002 1594148 4125388 398735 1006011 697022 227543 73788 70403 69648 3433902 230522 1268504 270799 367240 928154 2537060 829864 1163603 178729 774288 796045 270431 207102 65703 542314 1604314 213184 2708923 404008 657799 1364709 280130 642893 2679371 343885 142041 112631 230209 676882 935446 936992 836452 830695 800549 904411 NH4_C51:0 TAG 386077 478210 43082 275064 372870 82310 62554 121615 35611 22020 20639 25499 328663 55696 99304 48925 43953 129309 218668 119026 141106 42141 101017 105465 34680 64798 25402 60314 109256 47207 247689 106056 164568 310687 44507 124509 259109 65290 36958 28960 50040 151215 149351 137486 119866 111291 110612 130681 NH4_C52:7 TAG 731083 124167 655 135951 1001517 264670 97369 148036 243 231 48 936471 60765 20496 3502 21858 385237 243006 310435 31834 1106 52156 76260 1929 2459 49793 71417 8380 451113 1607 43875 80619 3417 2772 164397 73173 3742 5 24659 125311 118710 121699 94952 97982 88399 102192 NH4_C52:6 TAG 4547602 634488 62372 795305 8600141 852213 697811 585967 65093 9003 46874 14718 5862924 258497 300998 70263 254546 1871043 1764979 1650074 283369 39625 364637 447853 101286 64584 743 326858 769454 103038 2895670 99170 275688 509029 83659 163491 1434955 364569 108145 27616 135226 651630 703652 738525 578111 573364 571121 609712 NH4_C52:5 TAG 28053311 3175403 557906 4755977 54369290 3093352 5018353 3049008 590762 234170 417008 221014 27569578 841344 2364595 442043 1661525 9464585 12925807 8586546 1790509 300056 2374189 2505460 846177 376146 133384 1862868 7386649 501849 15874225 655375 1191693 2754554 534184 1425664 12193788 1678373 730055 345858 581965 2949961 4080904 3982516 3453133 3351880 3339754 3611372 NH4_C52:3 TAG 248288789 21031206 8618504 48039593 382777525 19936195 90032928 40706840 11734746 3496924 4696133 2733577 215000304 5895524 60792890 7021789 30424279 59599111 142263096 41169127 42459613 4865514 48414362 29778851 15947708 4800499 1947024 21948657 126245289 5718701 166326190 9668954 17358120 35868550 10064967 19406871 150897925 13833929 7802532 4833339 8413852 31601721 49164852 48442633 47260084 46416659 44144087 46173337 NH4_C52:2 TAG 195912118 17100290 7037401 38213311 306045391 15225434 78868880 33246203 11004657 2303144 3350012 2018516 168603015 4234126 62938387 7602621 24198990 36085132 118534393 25707062 43958719 5036781 46823965 24610728 15858784 4428485 1680566 16078411 98333791 4956512 154513597 8533104 13896094 32444346 14129478 11230709 111901540 8334963 5785500 3341338 5907467 23086080 37688739 39294503 36226923 35807197 33112517 35607497 NH4_C52:1 TAG 51294468 14316670 945141 13391247 78939656 4483783 7405455 4978827 1407100 335425 503845 605723 40088337 1164870 9379990 2070959 3134002 8691109 21484012 6298970 10702882 1069954 9543248 5762716 2187135 1640243 293828 2624965 15412968 1197776 36068189 3054127 5553391 17000632 2262456 2052613 24112090 2265640 1076445 743117 1598883 7087957 8382241 8401247 7030414 7073465 7191726 7846744 NH4_C52:0 TAG 2264076 3415912 137695 1903999 3763759 468769 247091 526630 118379 77296 84268 153240 2231267 233640 351596 310129 197409 672395 878868 425978 645737 217153 577921 458950 147067 334319 81441 197945 519882 175077 1877583 527326 797831 2251059 194045 232221 1038008 295427 157568 140127 210625 929957 722227 671101 580294 538304 560856 606876 NH4_C53:3 TAG 7167013 904454 316731 2237118 9941242 700395 2822051 1471078 405881 100144 77780 57371 5992135 271390 2146187 315487 719600 1840520 4303988 1559265 1632143 190212 1792939 1334167 520816 215581 60359 788068 3568742 226237 4924013 537635 861355 1509192 375411 1263549 5144037 432852 240413 198713 386462 1127787 1599142 1673573 1468914 1441624 1418146 1442667 NH4_C53:2 TAG 7014177 1354704 206816 2308876 10662486 436275 1919022 1072720 257180 70636 44081 43115 5247305 174657 1862169 259659 412867 1165537 3370146 1080666 1354785 151806 1294001 871913 363316 166752 41429 479915 2747297 167981 4477886 487552 747283 1708636 340699 903030 4404181 309501 149569 124862 264499 1065917 1207734 1277972 1055778 1103828 1066514 1182948 NH4_C54:8 TAG 1014943 279865 4704 237845 836338 301995 124956 251819 550 131 5407 90430 1008907 112385 40254 12204 33105 565253 401536 573081 21830 7799 67951 95414 2993 9002 65732 59953 41740 462298 63606 51629 92659 25342 25718 222951 97973 29102 1680 22263 204945 170170 173513 128669 134100 129816 150415 NH4_C54:7 TAG 4378473 1450760 142398 1151698 4885466 1504998 673931 1280719 64046 38028 71834 40987 4956651 445532 290022 125913 313565 2254503 1361895 3649663 277638 76360 444647 545490 90702 102317 16826 542654 569807 140950 2666090 171932 327887 724151 113190 277870 1142446 764321 185113 77663 223264 1272111 921584 925405 806199 756328 744914 812855 NH4_C54:6 TAG 20532370 1849457 556617 3425230 23631526 2729067 3693705 4468912 471780 355685 572581 298992 11888052 793835 2111873 674643 1171186 11422327 10481331 7192858 1124620 219546 2086313 2624990 759172 356364 138463 2136634 4921274 369539 8478827 650873 1473791 2196196 352001 3698915 9977009 1461976 1305168 636559 881118 3806443 3766516 3649384 3147816 3125777 3181869 3322559 NH4_C54:5 TAG 62068336 16622099 3403676 20931280 90258195 21968118 19285899 20505829 2406489 1751255 1680598 1479456 44064875 3929711 12476764 4011713 5487544 37232168 28805144 28233957 7321517 1522849 11194225 12842202 3669288 2449465 629185 10747726 24807892 3211509 33938336 4519448 9718062 15467575 4196574 14589308 38294569 11393898 4183537 2853217 4987878 21845426 16787646 16283011 15429298 15267454 14635516 15426318 NH4_C54:4 TAG 129863588 21332369 6141484 38849337 199266971 25252427 52525946 33770080 6148304 3068955 2883303 2098722 100851455 5208736 37147026 6440688 12932296 55738909 61543495 35775734 20029096 2346730 31735908 28060079 10115002 3796632 1410033 17128677 64972502 4311200 83370111 8599414 16380934 31376468 8136258 21697122 79089510 11366815 6095185 4964844 7055632 33331286 31354874 31260264 28703320 27592153 26888872 27959454 NH4_C54:3 TAG 131631358 15016568 5077934 34180438 233042411 11642699 55758234 27831360 5878498 2097433 2255534 1595839 97921942 2999961 44115166 5195732 12690887 33167692 55371207 19060408 22997909 2013867 31030866 20942879 10786083 3098657 1222808 10755934 63263154 3053345 89071463 7599261 12456909 29510405 9668745 11554754 73993850 5288977 3955271 3324576 4546756 21407320 25714805 26281329 23658612 22663596 22249195 24787872 NH4_C54:2 TAG 65411749 10694169 1404688 20850728 110550930 4239327 12384972 8443809 1943889 593394 609547 784375 32906685 1161690 14125654 2156950 4083431 11198474 20769908 7092715 10057988 938113 13349773 7111668 3197870 1790272 366535 2704685 20606762 1167148 31900580 4071323 6516432 19031645 3591764 3272532 29917222 1751726 1286083 1144810 1807067 9685785 10354855 9640336 8346522 8396055 8025310 8957042 NH4_C54:1 TAG 8748348 3921975 153137 6903743 13577278 791477 975317 961496 179063 53837 69907 248153 3995137 345539 1281784 448203 373830 1926254 2431560 899208 1452949 275411 1922094 1218753 351642 667730 32364 322236 1676329 255202 4105681 1333118 1863881 5614118 604881 414645 3535304 317097 152047 177529 406302 1780331 1677845 1495355 1330468 1284537 1235156 1368839 NH4_C55:3 TAG 1523773 435925 38858 1077500 2497572 204917 456754 378011 23670 14518 1448 8707 1295876 66087 353395 74905 68203 605743 619701 400587 243893 14131 279484 288442 54859 54923 1081 130363 672133 47246 978113 285798 406642 859449 92408 619421 903569 60629 44040 55047 113686 510317 424513 408809 338738 351101 353759 385346 NH4_C55:2 TAG 893462 390200 8763 1000647 1466949 74452 144444 153451 4901 2144 14 6208 618302 36516 157862 48757 19927 300060 252562 163843 118815 9276 147249 156408 15864 50092 8 52652 251154 18463 468352 244764 262123 638704 69449 305086 360015 24582 5397 12439 52309 233835 229108 213781 184798 165327 173989 190563 NH4_C56:9 TAG 1150323 929423 33486 290077 694121 788019 137490 762283 3747 2450 9098 1352 987427 268201 63752 31594 66507 810221 242185 1712091 45779 21454 104487 147833 7484 20107 1468 186977 63681 60568 487541 42838 109416 210598 17256 102028 213032 333604 71054 13619 105281 657190 323929 336897 259402 264838 261411 282823 NH4_C56:8 TAG 9473224 7621800 442390 2673303 4527853 7180836 1367792 6140963 168847 155406 249036 472979 5489243 1367559 828827 628070 653477 5334863 2047814 13546912 679900 287274 1174890 1194588 245919 561915 83848 1727691 921412 1421560 3814425 805178 1639342 2009441 643707 1311601 2155109 4172457 1054385 530601 1594278 7317345 2853842 2714991 2461613 2433310 2406066 2536303 NH4_C56:7 TAG 17747777 10807752 1213799 7022173 11155238 16847049 3629432 12364098 473095 489032 428771 622339 10575468 2936710 2361995 1415642 1655480 14193505 5069566 21539397 1825045 668504 2741169 3406299 547252 993913 188393 4062369 2988457 1502818 8121321 1789838 3857763 6291534 1154287 4219856 6006389 5837982 1685442 1060420 2527588 14722321 6298694 6087497 5768017 5715111 5432273 5775610 NH4_C56:6 TAG 5876038 10857711 1277815 5423259 6113548 9935743 1826073 5195828 438286 402058 457320 464690 4594698 1528138 1750515 1487827 903022 5950117 2203924 12037614 1412063 590414 1675607 2520477 492500 961329 166529 2765066 2240353 1289177 3871258 1491319 3809570 5466104 1571550 2388337 3663478 5783302 1450357 833848 1937972 11758407 3673122 3740429 3666973 3521495 3428667 3587206 NH4_C56:5 TAG 10995024 11428597 2361762 13735917 13556407 18156751 4344831 8328031 706535 931297 592059 1020596 8702999 2907298 3638935 2741500 1585038 19437502 5081972 16873010 2647491 906968 3016407 6368164 862954 1828586 290744 4785772 5739009 2016082 7705487 4908623 8520226 14966500 2250533 7378054 8595827 6265418 2581748 2233775 3611161 20971217 7816886 8102507 7217316 7177841 6930562 7234410 NH4_C56:4 TAG 9705990 6005620 941653 16406417 15632095 6231468 3138864 3633802 310419 470821 249324 719247 6949381 1330760 2472563 1265568 854940 13427355 3651331 6624285 1557714 398949 1926276 4657468 529253 1227299 108798 2180124 4308507 977482 5963738 4074769 6072535 15659947 1357456 4143053 5972622 1768567 1159652 1313460 2063909 12808734 4962302 5288569 4355397 4463642 4426543 4781435 NH4_C56:3 TAG 8153565 2647305 242569 15597840 18717601 1567569 2449486 2009878 162343 193232 89373 499404 5514209 629723 1860659 757298 459214 7189170 2207660 2375519 1068250 210550 1497402 3269438 342466 895365 40128 925640 2932782 478976 4598040 2688326 3827493 11720137 1604475 1751836 3312160 417780 392284 594316 1025309 5204405 3235652 2976448 2616321 2531528 2499208 2765614 NH4_C56:2 TAG 2787904 1184620 58367 8946158 5582378 513280 578124 558595 30247 44283 19160 254707 1622119 265689 473272 334481 103513 2421007 723619 846243 359893 121150 484670 1370635 94038 533316 3162 251351 682020 206514 1573145 1216826 1845454 5191722 738946 447420 865542 151317 93301 152587 439518 1738419 1222482 1107580 981361 921884 912169 961194 NH4_C56:1 TAG 354423 365138 9900 2877230 1065640 141108 82136 91970 5984 7360 2380 87099 284457 113438 38821 109257 9778 716864 193719 291662 44768 73638 59515 346981 25564 210436 5407 34634 42887 69994 255647 315129 540035 1572427 139041 107465 94562 41459 7788 12225 139203 459391 283922 295286 232794 364684 213688 236623 NH4_C58:11 TAG 157925 357916 2431 32680 9557 220220 4850 279195 458 279 114740 110840 1126 1702 1616 131846 9167 555293 693 4094 6034 6712 260 22543 2347 37718 1158 6258 15254 242 6069 3366 66790 5420 51 14794 190323 69756 72061 56527 51589 57523 57964 NH4_C58:10 TAG 1055530 3511699 83127 423028 298432 2751335 136644 2721089 10890 13861 23759 30439 643788 581892 87359 109273 76387 1196684 152759 5683286 67392 85750 121429 200106 16288 69896 4845 338993 49309 276417 394231 93666 364574 385862 81246 320595 195708 1009086 229950 93428 469369 2782935 808950 808196 682456 666476 653693 712143 NH4_C58:9 TAG 5029465 6133071 406971 2622644 1691118 12868203 992730 7544414 93926 187373 97174 228448 2629999 2066057 610889 519469 462136 8551675 928806 15724519 398163 274223 788696 1469311 116098 294785 34793 1429041 518621 687480 1819632 658575 1611720 2809418 357925 1669471 1348384 2701836 916726 577293 1301683 10137729 3202427 3051642 2794590 2787311 2705385 2903760 NH4_C58:8 TAG 3111788 3709171 435199 2393264 1048193 8338638 881675 4256857 108372 139230 119093 196404 1490275 1319837 683903 637209 422630 3872744 646460 7563814 504019 341026 874381 1221564 140279 347747 54893 1276092 422007 769127 1388661 757696 1686171 2397043 403215 1053535 904823 3273386 770298 421383 1070893 7754433 2069741 2133245 1957053 1961751 1853644 1952310 NH4_C58:7 TAG 5595381 4597324 752386 5239224 3046784 13218470 1401477 4818588 188644 342481 159211 411698 2616012 2044099 1289954 865905 705781 10030224 1358641 12622683 871025 395614 1368263 2796569 217618 580848 84003 1809738 1267073 742625 2263424 1839947 3099007 6001857 454541 2125778 2519988 2460142 1274229 1079281 1842459 14195773 3774281 3812432 3490847 3423467 3331696 3435879 NH4_C58:6 TAG 3308408 3311810 515541 5039346 2845519 6598919 919011 2352852 131016 222871 111395 362469 1640838 1201135 977051 653600 422466 6972581 914717 7164062 647777 259904 787752 1954890 163690 547742 40315 1098091 1152292 517965 1521032 1955762 2788421 5823325 484989 1495074 2190561 1295371 978436 930415 1330812 11063527 2662695 2742431 2454848 2418411 2328531 2524358 NH4_C60:12 TAG 142451 836345 5384 55832 3446 738816 7414 868655 307 696 574 75826 276357 2615 14550 7488 194415 3653 1337629 2287 13997 7305 19003 3015 61530 180448 41891 6323 59981 54971 7504 42391 2303 197688 41750 5095 97358 800728 197096 199174 159591 168735 164042 173539 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Compound m/z RT C24:0 PC QI8378 622.4419 6.75 C16:0 LPC QI8958 496.3394 4.99 C18:3 LPC TF1 518.3213 4.85 C18:2 LPC QI9075 520.3397 4.7 C18:1 LPC QI8932 522.3554 5.04 C18:0 LPC QI8707 524.3708 5.6 C20:4 LPC QI1482 544.3397 4.73 C16:0 LPE TF2 454.2921 5 C18:2 LPE QI9070 478.2924 4.71 C18:1 LPE QI1628 480.3082 5.07 C18:0 LPE QI1844 482.3237 5.62 C20:4 LPE QI9049 502.2925 4.74 C20:0 LPE QI1708 510.3552 5.29 C22:6 LPE QI1485 526.2929 4.73 C22:0 LPE QI8603 538.3866 5.94 C30:1 PC QI2419 704.5197 8.12 C30:0 PC QI8049 706.5351 8.43 C32:2 PC QI2449 730.5354 8.24 C32:1 PC QI7933 732.5509 8.58 C32:0 PC QI7715 734.5665 8.9 C34:4 PC QI8087 754.5345 8.27 C34:3 PC QI2512 756.5498 8.45 C34:2 PC QI7839 758.5656 8.73 C34:1 PC QI7612 760.5813 9.04 C34:0 PC QI7371 762.5967 9.34 C36:4 PC-A TF3 782.5657 8.56 C36:4 PC-B QI7829 782.5649 8.76 C36:3 PC TF4 784.5809 8.88 C36:2 PC QI3046 786.597 9.18 C36:1 PC QI3272 788.6127 9.47 C38:6 PC QI7876 806.5651 8.7 C38:4 PC QI3069 810.5961 9.22 C38:3 PC QI3175 812.6115 9.34 C38:2 PC QI3328 814.6285 9.55 C40:9 PC QI7879 828.548 8.69 C40:6 PC QI7637 834.5961 9 C34:5 PC plasmalogen QI7436 738.5407 9.27 C34:3 PC plasmalogen QI7616 742.5712 9.03 C34:2 PC plasmalogen QI3155 744.5867 9.33 C34:1 PC plasmalogen-A QI3147 746.6027 9.32 C34:1 PC plasmalogen-B QI3372 746.6024 9.61 C36:5 PC plasmalogen-A QI2736 766.5689 8.78 C36:5 PC plasmalogen-B QI2935 766.57 9.04 C36:4 PC plasmalogen QI3080 768.5858 9.22 C36:3 PC plasmalogen QI3274 770.6003 9.47 C36:2 PC plasmalogen QI3283 772.6171 9.47 C36:1 PC plasmalogen QI3468 774.6337 9.76 C38:7 PC plasmalogen QI7672 790.57 8.97 C38:6 PC plasmalogen QI2970 792.585 9.09 C38:4 PC plasmalogen TF5 796.6167 9.49 C32:1 PE QI7931 690.5039 8.58 C32:0 PE QI2436 692.5194 8.17 C34:2 PE QI7836 716.5196 8.74 C34:0 PE QI7893 720.5509 8.67 C36:4 PE QI2719 740.5199 8.76 C36:3 PE QI2816 742.5352 8.88 C36:2 PE QI3047 744.551 9.18 C36:1 PE QI7274 746.567 9.47 C36:0 PE QI7554 748.5815 9.12 C38:6 PE QI7932 764.5189 8.58 C38:5 PE QI2832 766.5344 8.9 C38:4 PE QI7477 768.5502 9.22 C38:2 PE QI2874 772.5802 8.97 C40:6 PE QI3016 792.5498 9.15 C34:3 PE plasmalogen QI7603 700.5244 9.05 C34:2 PE plasmalogen QI7383 702.54 9.33 C36:5 PE plasmalogen QI7601 724.5246 9.05 C36:4 PE plasmalogen TF6 726.5397 9.19 C36:3 PE plasmalogen QI3273 728.5561 9.47 C36:2 PE plasmalogen QI7097 730.5719 9.73 C38:7 PE plasmalogen QI2879 748.5238 8.97 C38:6 PE plasmalogen QI3023 750.5393 9.16 C38:5 PE plasmalogen QI7264 752.555 9.47 C40:7 PE plasmalogen QI3218 776.5547 9.4 C32:2 PI TF7 807.5079 7.4 C36:2 PS QI8140 788.5406 8.08 sphingosine QI9325 300.2888 4.29 palmithoylethanolamide QI1667 300.2888 5.16 N-Oleoylethanolamine QI1723 326.3044 5.34 C16:0 Ceramide (d18:1) QI2624 538.519 8.6 C22:0 Ceramide (d18:1) QI3570 622.6112 9.92 C24:0 Ceramide (d18:1) QI6814 650.6427 10.3 C24:1 Ceramide (d18:1) QI3598 648.6271 9.97 C14:0 SM QI2383 675.5406 7.95 C16:1 SM QI8132 701.5564 8.11 C16:0 SM QI8016 703.5719 8.47 C18:1 SM QI7907 729.5879 8.64 C18:0 SM QI2860 731.6033 8.96 C20:0 SM QI3227 759.6335 9.41 C22:1 SM QI7215 785.6504 9.56 C22:0 SM QI7049 787.6654 9.82 C24:1 SM QI3534 813.6812 9.87 C24:0 SM QI3695 815.697 10.21 C14:0 CE QI4229 619.5406 11.69 C16:1 CE QI4264 645.5558 11.78 C16:0 CE QI6131 647.5719 12.11 C18:3 CE QI4187 669.556 11.6 C18:2 CE QI4306 671.5713 11.88 C18:1 CE QI4462 673.5861 12.21 C18:0 CE QI4598 675.602 12.54 C20:5 CE QI4127 693.5551 11.47 C20:4 CE QI4237 695.5704 11.72 C20:3 CE QI6190 697.5862 11.98 C22:6 CE QI6370 719.5708 11.58 C22:5 CE QI6272 721.5864 11.81 C22:4 CE QI6144 723.6028 12.07 C16:1 MAG QI1632 339.2497 5.07 C18:0 MAG QI1995 381.2963 6.04 C22:1 MAG QI8316 430.3885 7.13 C30:0 DAG QI2880 563.463 8.97 C32:2 DAG QI7805 587.4634 8.79 C32:1 DAG QI2983 589.4787 9.11 C32:0 DAG QI7318 591.4944 9.41 C34:3 DAG QI2861 613.4777 8.96 C34:2 DAG QI3092 615.4931 9.25 C34:1 DAG QI3317 617.509 9.53 C34:0 DAG QI3487 619.5249 9.81 C36:3 DAG QI7341 641.5092 9.38 C36:2 DAG QI7147 643.525 9.66 C36:1 DAG QI3575 645.5408 9.93 C36:0 DAG QI6869 647.5565 10.16 C36:4 DAG QI7458 639.493 9.24 C38:5 DAG QI3191 665.5084 9.36 C38:4 DAG QI7144 667.5251 9.66 C41:0 TAG QI3900 731.6134 10.86 C42:0 TAG QI3957 745.6292 11.02 C43:2 TAG QI6680 755.6124 10.73 C43:1 TAG QI6603 757.6282 10.98 C43:0 TAG QI6541 759.6436 11.16 C44:2 TAG QI3912 769.6282 10.89 C44:1 TAG QI6561 771.6437 11.12 C44:0 TAG QI6477 773.6594 11.33 C45:3 TAG QI3918 781.6282 10.91 C45:2 TAG QI6571 783.6439 11.08 C45:1 TAG QI6505 785.6596 11.26 C45:0 TAG QI4134 787.6749 11.49 C46:4 TAG QI6675 793.6284 10.75 C46:3 TAG QI6605 795.6441 10.97 C46:2 TAG QI4013 797.6596 11.19 C46:1 TAG QI4107 799.6752 11.42 C46:0 TAG QI6341 801.6907 11.64 C47:2 TAG QI4086 811.6753 11.36 C47:1 TAG QI6378 813.6912 11.57 C47:0 TAG QI4275 815.7063 11.81 C48:5 TAG QI3895 819.6439 10.83 C48:4 TAG QI3968 821.6599 11.05 C48:3 TAG QI4052 823.6754 11.28 C48:2 TAG QI4138 825.691 11.49 C48:1 TAG QI4245 827.7065 11.74 C48:0 TAG QI4357 829.7224 11.98 C49:3 TAG QI4114 837.6902 11.43 C49:2 TAG QI6332 839.7061 11.65 C49:1 TAG QI4322 841.7215 11.91 C49:0 TAG QI4438 843.7368 12.15 C50:6 TAG QI6572 845.6588 11.07 C50:5 TAG QI6551 847.6742 11.13 C50:4 TAG QI6461 849.6899 11.36 C50:3 TAG QI6371 851.7049 11.58 C50:2 TAG QI4281 853.7211 11.83 C50:1 TAG QI4402 855.7369 12.07 C50:0 TAG QI6021 857.753 12.35 C51:3 TAG QI6293 865.722 11.76 C51:2 TAG QI6178 867.7369 12.01 C51:1 TAG QI6061 869.7534 12.25 C51:0 TAG QI5958 871.7684 12.51 C52:7 TAG QI6542 871.6751 11.16 C52:6 TAG QI4087 873.6905 11.37 C52:5 TAG QI4118 875.7054 11.44 C52:4 TAG QI4220 877.7209 11.67 C52:3 TAG QI4327 879.7367 11.92 C52:2 TAG QI6100 881.7526 12.17 C52:1 TAG QI4563 883.7688 12.44 C52:0 TAG QI4666 885.7849 12.73 C53:3 TAG QI6133 893.7531 12.1 C53:2 TAG QI6019 895.7691 12.36 C54:8 TAG QI4032 897.6911 11.24 C54:7 TAG QI4122 899.7065 11.45 C54:6 TAG QI6391 901.7213 11.54 C54:5 TAG QI4256 903.7368 11.76 C54:4 TAG QI4373 905.7528 12.02 C54:3 TAG QI4495 907.7688 12.28 C54:2 TAG QI4595 909.7847 12.54 C54:1 TAG QI5839 911.8009 12.83 C55:3 TAG QI5977 921.7854 12.46 C55:2 TAG QI4674 923.8011 12.75 C56:9 TAG QI6479 923.7069 11.32 C56:8 TAG QI6388 925.7221 11.54 C56:7 TAG QI6283 927.7367 11.78 C56:6 TAG QI4349 929.7521 11.97 C56:5 TAG QI6123 931.7665 12.12 C56:4 TAG QI4532 933.7845 12.38 C56:3 TAG QI4637 935.801 12.64 C56:2 TAG QI4748 937.8167 12.94 C56:1 TAG QI4869 939.8324 13.26 C58:11 TAG QI4057 947.7061 11.29 C58:10 TAG QI4128 949.7215 11.47 C58:9 TAG QI4206 951.7359 11.64 C58:8 TAG QI4297 953.7525 11.85 C58:7 TAG QI6189 955.7676 11.98 C58:6 TAG TF8 957.7839 12.24 C60:12 TAG QI4110 973.7219 11.42 7-Dehydrodesmosterol QI2267 383.3301 7.31 Cholesterol QI8234 369.3505 7.63 piperine QI634 286.1429 3.75 Coenzyme Q10_Na QI6321 885.6693 11.68 NH4_C14:0 CE QI6317 614.5855 11.69 NH4_C16:1 CE QI4263 640.6005 11.78 NH4_C16:0 CE QI4416 642.617 12.11 NH4_C18:3 CE QI6360 664.6007 11.6 NH4_C18:2 CE QI4305 666.6161 11.88 NH4_C18:1 CE QI6089 668.6319 12.2 NH4_C18:0 CE QI5948 670.6478 12.54 NH4_C20:5 CE QI6420 688.5997 11.47 NH4_C20:4 CE QI6310 690.6152 11.72 NH4_C20:3 CE QI6191 692.6309 11.98 NH4_C22:6 CE QI4176 714.6155 11.58 NH4_C22:5 CE QI4274 716.631 11.81 NH4_C22:4 CE QI6141 718.6468 12.08 NH4_C18:0 MAG QI8552 376.3411 6.04 NH4_C32:0 DAG QI7321 586.539 9.41 NH4_C34:3 DAG QI2864 608.5234 8.96 NH4_C34:2 DAG QI3086 610.5379 9.24 NH4_C34:1 DAG QI7230 612.5538 9.53 NH4_C36:3 DAG QI7349 636.5538 9.37 NH4_C36:2 DAG QI3399 638.5698 9.66 NH4_C36:1 DAG QI6971 640.5856 9.93 NH4_C36:0 DAG QI3678 642.6012 10.16 NH4_C38:5 DAG QI7356 660.5542 9.36 NH4_C38:4 DAG QI3403 662.57 9.66 NH4_C41:0 TAG QI3903 726.6581 10.87 NH4_C42:0 TAG QI3960 740.6739 11.04 NH4_C43:2 TAG QI3866 750.6572 10.73 NH4_C43:1 TAG QI3943 752.6728 10.98 NH4_C43:0 TAG QI4007 754.6883 11.17 NH4_C44:2 TAG QI3911 764.6728 10.88 NH4_C44:1 TAG QI3991 766.6877 11.12 NH4_C44:0 TAG QI4069 768.7041 11.33 NH4_C45:3 TAG QI6629 776.6723 10.91 NH4_C45:2 TAG QI6586 778.6885 11.04 NH4_C45:1 TAG QI4041 780.7042 11.26 NH4_C46:4 TAG QI3871 788.6729 10.75 NH4_C46:3 TAG QI6604 790.6885 10.98 NH4_C46:2 TAG QI6534 792.704 11.19 NH4_C46:1 TAG QI6444 794.7191 11.41 NH4_C46:0 TAG QI6334 796.7353 11.65 NH4_C47:2 TAG QI4078 806.7198 11.34 NH4_C47:1 TAG QI4177 808.7356 11.58 NH4_C48:5 TAG QI3909 814.6886 10.88 NH4_C48:4 TAG QI6579 816.7045 11.05 NH4_C48:3 TAG QI4051 818.7199 11.28 NH4_C48:2 TAG QI6409 820.7352 11.49 NH4_C48:1 TAG QI6302 822.7512 11.74 NH4_C48:0 TAG QI6185 824.7667 11.98 NH4_C49:3 TAG QI6433 832.7356 11.43 NH4_C49:2 TAG QI4216 834.7513 11.66 NH4_C49:1 TAG QI6225 836.766 11.91 NH4_C50:6 TAG QI3974 840.7033 11.07 NH4_C50:5 TAG QI3995 842.7184 11.13 NH4_C50:4 TAG QI4085 844.7346 11.36 NH4_C50:3 TAG QI4175 846.75 11.58 NH4_C50:2 TAG QI4285 848.766 11.84 NH4_C50:1 TAG QI6145 850.7817 12.07 NH4_C50:0 TAG QI4524 852.7976 12.35 NH4_C51:3 TAG QI4253 860.766 11.76 NH4_C51:2 TAG QI6179 862.7818 12 NH4_C51:1 TAG QI4485 864.7976 12.25 NH4_C51:0 TAG QI5947 866.813 12.54 NH4_C52:7 TAG QI6539 866.7196 11.17 NH4_C52:6 TAG QI6458 868.7349 11.37 NH4_C52:5 TAG QI6429 870.7501 11.44 NH4_C52:3 TAG QI6220 874.781 11.92 NH4_C52:2 TAG QI6095 876.7977 12.18 NH4_C52:1 TAG QI5984 878.8135 12.44 NH4_C52:0 TAG QI5881 880.8293 12.73 NH4_C53:3 TAG QI4413 888.7977 12.1 NH4_C53:2 TAG QI4525 890.8137 12.35 NH4_C54:8 TAG QI6515 892.7363 11.24 NH4_C54:7 TAG QI6425 894.751 11.45 NH4_C54:6 TAG QI4155 896.7661 11.54 NH4_C54:5 TAG QI6291 898.7816 11.76 NH4_C54:4 TAG QI6174 900.7968 12.02 NH4_C54:3 TAG QI6056 902.8136 12.27 NH4_C54:2 TAG QI5952 904.8294 12.54 NH4_C54:1 TAG QI4707 906.8453 12.83 NH4_C55:3 TAG QI4564 916.8291 12.45 NH4_C55:2 TAG QI5873 918.845 12.75 NH4_C56:9 TAG QI4070 918.7511 11.33 NH4_C56:8 TAG QI6386 920.7667 11.54 NH4_C56:7 TAG QI6284 922.7816 11.78 NH4_C56:6 TAG QI6198 924.7979 11.97 NH4_C56:5 TAG QI4423 926.8127 12.12 NH4_C56:4 TAG QI6020 928.8296 12.36 NH4_C56:3 TAG QI5918 930.8455 12.63 NH4_C56:2 TAG QI5799 932.8612 12.94 NH4_C56:1 TAG QI5678 934.8769 13.26 NH4_C58:11 TAG QI4058 942.7504 11.29 NH4_C58:10 TAG QI6419 944.7663 11.47 NH4_C58:9 TAG QI4205 946.7813 11.64 NH4_C58:8 TAG QI6246 948.7971 11.86 NH4_C58:7 TAG QI4356 950.8114 11.98 NH4_C58:6 TAG QI6065 952.8278 12.25 NH4_C60:12 TAG QI4109 968.7669 11.42 METABOLITES_END #END