#METABOLOMICS WORKBENCH OAD_MP_20221209_001009 DATATRACK_ID:3638 STUDY_ID:ST002468 ANALYSIS_ID:AN004024 PROJECT_ID:PR001594 VERSION 1 CREATED_ON February 9, 2023, 7:12 am #PROJECT PR:PROJECT_TITLE Metabolomics to study colorectal cancer disease PR:PROJECT_SUMMARY LC-MS metabolomics to study colorectal cancer disease using samples collected PR:PROJECT_SUMMARY with fecal occult blood testing kit from humans PR:INSTITUTE CIC bioGUNE - Centro de Investigación Cooperativa en Biociencias PR:LAST_NAME Alboniga PR:FIRST_NAME Oihane PR:ADDRESS Bizkaia Technology Park, Bld.800, Derio, Bizkaia, 48160, Spain PR:EMAIL oalboniga@cicbiogun.es PR:PHONE +34 944061317 #STUDY ST:STUDY_TITLE First approach on the use of samples from fecal occult blood screening kits for ST:STUDY_TITLE metabolomic analysis. Application in colorectal cancer population. ST:STUDY_SUMMARY Cancer is the most common disease around the world and colorectal cancer is the ST:STUDY_SUMMARY second most common cancer. The early diagnosis of colorectal cancer is difficult ST:STUDY_SUMMARY and relies on invasive diag-nostic tools such as colonoscopy and tissue biopsy. ST:STUDY_SUMMARY Other non-invasive techniques such as fecal occult blood screening test (FOBT) ST:STUDY_SUMMARY are less sensitive and accurate. The advantage of FOBT together with high ST:STUDY_SUMMARY throughput technology such as metabolomics could provide the advantages of ST:STUDY_SUMMARY non-invasive tool and the effectiveness of detecting novel colorectal cancer ST:STUDY_SUMMARY markers. In this way, this work focuses on the novelty of using FOBT as samples ST:STUDY_SUMMARY to perform metabolomics analysis and its application on colorectal cancer ST:STUDY_SUMMARY population. ST:INSTITUTE CIC bioGUNE - Centro de Investigación Cooperativa en Biociencias ST:LAST_NAME Alboniga ST:FIRST_NAME Oihane ST:ADDRESS Bizkaia Technology Park, Bld.800, Derio, Bizkaia, 48160, Spain ST:EMAIL oalboniga@cicbiogun.es ST:PHONE +34 944061317 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS 985524 owl-2124-001 Gender:M | Group:CTL Age=53; FOB (µL)=294; Batch=3; RAW_FILE_NAME=211104_21_0024_DON_Heces_SOH_Ens01_Lipids_012 SUBJECT_SAMPLE_FACTORS 2541654 owl-2124-002 Gender:M | Group:CTL Age=60; FOB (µL)=470; Batch=3; RAW_FILE_NAME=211104_21_0024_DON_Heces_SOH_Ens01_Lipids_057 SUBJECT_SAMPLE_FACTORS 936074 owl-2124-003 Gender:M | Group:CTL Age=69; FOB (µL)=906; Batch=3; RAW_FILE_NAME=211104_21_0024_DON_Heces_SOH_Ens01_Lipids_062 SUBJECT_SAMPLE_FACTORS 1197371 owl-2124-004 Gender:M | Group:CTL Age=53; FOB (µL)=525; Batch=3; RAW_FILE_NAME=211111_21_0024_DON_Heces_SOH_Ens02_Lipids_076 SUBJECT_SAMPLE_FACTORS 2062885 owl-2124-005 Gender:M | Group:CTL Age=51; FOB (µL)=274; Batch=3; RAW_FILE_NAME=211111_21_0024_DON_Heces_SOH_Ens02_Lipids_012 SUBJECT_SAMPLE_FACTORS 1210324 owl-2124-006 Gender:F | Group:CTL Age=51; FOB (µL)=336; Batch=3; RAW_FILE_NAME=211111_21_0024_DON_Heces_SOH_Ens02_Lipids_061 SUBJECT_SAMPLE_FACTORS 529208 owl-2124-007 Gender:F | Group:CTL Age=61; FOB (µL)=106; Batch=3; RAW_FILE_NAME=211104_21_0024_DON_Heces_SOH_Ens01_Lipids_013 SUBJECT_SAMPLE_FACTORS 961163 owl-2124-008 Gender:F | Group:CTL Age=61; FOB (µL)=142; Batch=3; RAW_FILE_NAME=211104_21_0024_DON_Heces_SOH_Ens01_Lipids_037 SUBJECT_SAMPLE_FACTORS 296225 owl-2124-009 Gender:M | Group:CTL Age=69; FOB (µL)=340; Batch=3; RAW_FILE_NAME=211111_21_0024_DON_Heces_SOH_Ens02_Lipids_029 SUBJECT_SAMPLE_FACTORS 761114 owl-2124-010 Gender:M | Group:CTL Age=58; FOB (µL)=185; Batch=3; RAW_FILE_NAME=211104_21_0024_DON_Heces_SOH_Ens01_Lipids_053 SUBJECT_SAMPLE_FACTORS 953867 owl-2124-011 Gender:M | Group:CTL Age=62; FOB (µL)=101; Batch=3; RAW_FILE_NAME=211111_21_0024_DON_Heces_SOH_Ens02_Lipids_070 SUBJECT_SAMPLE_FACTORS 2004875 owl-2124-012 Gender:F | Group:CTL Age=69; FOB (µL)=526; Batch=3; RAW_FILE_NAME=211104_21_0024_DON_Heces_SOH_Ens01_Lipids_025 SUBJECT_SAMPLE_FACTORS 777110 owl-2124-013 Gender:F | Group:CTL Age=53; FOB (µL)=296; Batch=3; RAW_FILE_NAME=211111_21_0024_DON_Heces_SOH_Ens02_Lipids_066 SUBJECT_SAMPLE_FACTORS 2038131 owl-2124-014 Gender:M | Group:CTL Age=59; FOB (µL)=386; Batch=3; RAW_FILE_NAME=211104_21_0024_DON_Heces_SOH_Ens01_Lipids_035 SUBJECT_SAMPLE_FACTORS 1846118 owl-2124-015 Gender:F | Group:CTL Age=53; FOB (µL)=9026; Batch=3; RAW_FILE_NAME=211111_21_0024_DON_Heces_SOH_Ens02_Lipids_025 SUBJECT_SAMPLE_FACTORS 1924444 owl-2124-016 Gender:M | Group:CTL Age=57; FOB (µL)=131; Batch=3; RAW_FILE_NAME=211104_21_0024_DON_Heces_SOH_Ens01_Lipids_065 SUBJECT_SAMPLE_FACTORS 987992 owl-2124-017 Gender:F | Group:CTL Age=54; FOB (µL)=333; Batch=3; RAW_FILE_NAME=211104_21_0024_DON_Heces_SOH_Ens01_Lipids_019 SUBJECT_SAMPLE_FACTORS 1195060 owl-2124-018 Gender:M | Group:CTL Age=54; FOB (µL)=574; Batch=3; RAW_FILE_NAME=211111_21_0024_DON_Heces_SOH_Ens02_Lipids_035 SUBJECT_SAMPLE_FACTORS 536115 owl-2124-019 Gender:M | Group:CTL Age=59; FOB (µL)=723; Batch=3; RAW_FILE_NAME=211111_21_0024_DON_Heces_SOH_Ens02_Lipids_033 SUBJECT_SAMPLE_FACTORS 558504 owl-2124-020 Gender:F | Group:CTL Age=53; FOB (µL)=356; Batch=3; RAW_FILE_NAME=211111_21_0024_DON_Heces_SOH_Ens02_Lipids_071 SUBJECT_SAMPLE_FACTORS 1386673 owl-2124-021 Gender:F | Group:CTL Age=61; FOB (µL)=1356; Batch=3; RAW_FILE_NAME=211111_21_0024_DON_Heces_SOH_Ens02_Lipids_022 SUBJECT_SAMPLE_FACTORS 97455 owl-2124-022 Gender:F | Group:CTL Age=64; FOB (µL)=203; Batch=3; RAW_FILE_NAME=211104_21_0024_DON_Heces_SOH_Ens01_Lipids_077 SUBJECT_SAMPLE_FACTORS 92079 owl-2124-023 Gender:F | Group:CTL Age=66; FOB (µL)=104; Batch=3; RAW_FILE_NAME=211111_21_0024_DON_Heces_SOH_Ens02_Lipids_069 SUBJECT_SAMPLE_FACTORS 966024 owl-2124-024 Gender:F | Group:CTL Age=59; FOB (µL)=405; Batch=3; RAW_FILE_NAME=211104_21_0024_DON_Heces_SOH_Ens01_Lipids_072 SUBJECT_SAMPLE_FACTORS 1810325 owl-2124-025 Gender:M | Group:CTL Age=62; FOB (µL)=131; Batch=3; RAW_FILE_NAME=211104_21_0024_DON_Heces_SOH_Ens01_Lipids_021 SUBJECT_SAMPLE_FACTORS 991615 owl-2124-026 Gender:M | Group:CTL Age=58; FOB (µL)=718; Batch=3; RAW_FILE_NAME=211104_21_0024_DON_Heces_SOH_Ens01_Lipids_043 SUBJECT_SAMPLE_FACTORS 10831001 owl-2124-027 Gender:M | Group:CTL Age=68; FOB (µL)=181; Batch=3; RAW_FILE_NAME=211104_21_0024_DON_Heces_SOH_Ens01_Lipids_041 SUBJECT_SAMPLE_FACTORS 1594901 owl-2124-028 Gender:F | Group:CTL Age=63; FOB (µL)=135; Batch=3; RAW_FILE_NAME=211111_21_0024_DON_Heces_SOH_Ens02_Lipids_014 SUBJECT_SAMPLE_FACTORS 743863 owl-2124-029 Gender:F | Group:CTL Age=63; FOB (µL)=115; Batch=3; RAW_FILE_NAME=211111_21_0024_DON_Heces_SOH_Ens02_Lipids_028 SUBJECT_SAMPLE_FACTORS 2338596 owl-2124-030 Gender:F | Group:CTL Age=67; FOB (µL)=123; Batch=3; RAW_FILE_NAME=211111_21_0024_DON_Heces_SOH_Ens02_Lipids_077 SUBJECT_SAMPLE_FACTORS 2013402 owl-2124-031 Gender:M | Group:CTL Age=67; FOB (µL)=163; Batch=3; RAW_FILE_NAME=211111_21_0024_DON_Heces_SOH_Ens02_Lipids_057 SUBJECT_SAMPLE_FACTORS 1799022 owl-2124-032 Gender:F | Group:CTL Age=66; FOB (µL)=265; Batch=3; RAW_FILE_NAME=211111_21_0024_DON_Heces_SOH_Ens02_Lipids_055 SUBJECT_SAMPLE_FACTORS 2005708 owl-2124-033 Gender:M | Group:CTL Age=70; FOB (µL)=160; Batch=3; RAW_FILE_NAME=211104_21_0024_DON_Heces_SOH_Ens01_Lipids_055 SUBJECT_SAMPLE_FACTORS 1390400 owl-2124-034 Gender:F | Group:CTL Age=61; FOB (µL)=133; Batch=3; RAW_FILE_NAME=211104_21_0024_DON_Heces_SOH_Ens01_Lipids_075 SUBJECT_SAMPLE_FACTORS 10186169 owl-2124-035 Gender:F | Group:CTL Age=54; FOB (µL)=128; Batch=3; RAW_FILE_NAME=211111_21_0024_DON_Heces_SOH_Ens02_Lipids_030 SUBJECT_SAMPLE_FACTORS 732528 owl-2124-036 Gender:M | Group:CTL Age=66; FOB (µL)=217; Batch=3; RAW_FILE_NAME=211111_21_0024_DON_Heces_SOH_Ens02_Lipids_046 SUBJECT_SAMPLE_FACTORS 1823761 owl-2124-037 Gender:M | Group:CTL Age=60; FOB (µL)=143; Batch=3; RAW_FILE_NAME=211111_21_0024_DON_Heces_SOH_Ens02_Lipids_019 SUBJECT_SAMPLE_FACTORS 1161733 owl-2124-038 Gender:F | Group:CTL Age=65; FOB (µL)=3368; Batch=3; RAW_FILE_NAME=211111_21_0024_DON_Heces_SOH_Ens02_Lipids_072 SUBJECT_SAMPLE_FACTORS 951519 owl-2124-039 Gender:F | Group:CTL Age=65; FOB (µL)=400; Batch=3; RAW_FILE_NAME=211111_21_0024_DON_Heces_SOH_Ens02_Lipids_065 SUBJECT_SAMPLE_FACTORS 307866 owl-2124-040 Gender:F | Group:CTL Age=65; FOB (µL)=256; Batch=3; RAW_FILE_NAME=211104_21_0024_DON_Heces_SOH_Ens01_Lipids_031 SUBJECT_SAMPLE_FACTORS 298343 owl-2124-041 Gender:M | Group:CTL Age=68; FOB (µL)=199; Batch=3; RAW_FILE_NAME=211111_21_0024_DON_Heces_SOH_Ens02_Lipids_058 SUBJECT_SAMPLE_FACTORS 1282048 owl-2124-042 Gender:F | Group:CTL Age=67; FOB (µL)=234; Batch=3; RAW_FILE_NAME=211104_21_0024_DON_Heces_SOH_Ens01_Lipids_024 SUBJECT_SAMPLE_FACTORS 977191 owl-2124-043 Gender:F | Group:CTL Age=57; FOB (µL)=202; Batch=3; RAW_FILE_NAME=211104_21_0024_DON_Heces_SOH_Ens01_Lipids_018 SUBJECT_SAMPLE_FACTORS 1807652 owl-2124-044 Gender:F | Group:CTL Age=65; FOB (µL)=385; Batch=3; RAW_FILE_NAME=211104_21_0024_DON_Heces_SOH_Ens01_Lipids_047 SUBJECT_SAMPLE_FACTORS 1630987 owl-2124-045 Gender:M | Group:CTL Age=54; FOB (µL)=320; Batch=3; RAW_FILE_NAME=211111_21_0024_DON_Heces_SOH_Ens02_Lipids_018 SUBJECT_SAMPLE_FACTORS 2006704 owl-2124-046 Gender:F | Group:CTL Age=70; FOB (µL)=127; Batch=3; RAW_FILE_NAME=211111_21_0024_DON_Heces_SOH_Ens02_Lipids_040 SUBJECT_SAMPLE_FACTORS 1812171 owl-2124-047 Gender:F | Group:CTL Age=63; FOB (µL)=416; Batch=3; RAW_FILE_NAME=211104_21_0024_DON_Heces_SOH_Ens01_Lipids_076 SUBJECT_SAMPLE_FACTORS 2036694 owl-2124-048 Gender:M | Group:CTL Age=60; FOB (µL)=293; Batch=3; RAW_FILE_NAME=211104_21_0024_DON_Heces_SOH_Ens01_Lipids_064 SUBJECT_SAMPLE_FACTORS 79846 owl-2124-049 Gender:F | Group:CTL Age=70; FOB (µL)=6360; Batch=3; RAW_FILE_NAME=211111_21_0024_DON_Heces_SOH_Ens02_Lipids_067 SUBJECT_SAMPLE_FACTORS 11948655 owl-2124-050 Gender:M | Group:CTL Age=52; FOB (µL)=138; Batch=3; RAW_FILE_NAME=211104_21_0024_DON_Heces_SOH_Ens01_Lipids_044 SUBJECT_SAMPLE_FACTORS 1389134 owl-2124-051 Gender:F | Group:CTL Age=62; FOB (µL)=581; Batch=3; RAW_FILE_NAME=211111_21_0024_DON_Heces_SOH_Ens02_Lipids_031 SUBJECT_SAMPLE_FACTORS 1163098 owl-2124-052 Gender:F | Group:AD Age=64; FOB (µL)=178; Batch=3; RAW_FILE_NAME=211111_21_0024_DON_Heces_SOH_Ens02_Lipids_068 SUBJECT_SAMPLE_FACTORS 2263651 owl-2124-053 Gender:M | Group:AD Age=50; FOB (µL)=220; Batch=3; RAW_FILE_NAME=211104_21_0024_DON_Heces_SOH_Ens01_Lipids_054 SUBJECT_SAMPLE_FACTORS 1592587 owl-2124-054 Gender:F | Group:AD Age=64; FOB (µL)=435; Batch=3; RAW_FILE_NAME=211104_21_0024_DON_Heces_SOH_Ens01_Lipids_015 SUBJECT_SAMPLE_FACTORS 776406 owl-2124-055 Gender:M | Group:AD Age=53; FOB (µL)=307; Batch=3; RAW_FILE_NAME=211111_21_0024_DON_Heces_SOH_Ens02_Lipids_064 SUBJECT_SAMPLE_FACTORS 1360956 owl-2124-056 Gender:F | Group:AD Age=71; FOB (µL)=258; Batch=3; RAW_FILE_NAME=211111_21_0024_DON_Heces_SOH_Ens02_Lipids_042 SUBJECT_SAMPLE_FACTORS 1497237 owl-2124-057 Gender:F | Group:AD Age=50; FOB (µL)=106; Batch=3; RAW_FILE_NAME=211104_21_0024_DON_Heces_SOH_Ens01_Lipids_040 SUBJECT_SAMPLE_FACTORS 1367640 owl-2124-058 Gender:F | Group:AD Age=69; FOB (µL)=293; Batch=3; RAW_FILE_NAME=211111_21_0024_DON_Heces_SOH_Ens02_Lipids_013 SUBJECT_SAMPLE_FACTORS 940202 owl-2124-059 Gender:F | Group:AD Age=67; FOB (µL)=228; Batch=3; RAW_FILE_NAME=211111_21_0024_DON_Heces_SOH_Ens02_Lipids_053 SUBJECT_SAMPLE_FACTORS 1610352 owl-2124-060 Gender:F | Group:AD Age=58; FOB (µL)=207; Batch=3; RAW_FILE_NAME=211111_21_0024_DON_Heces_SOH_Ens02_Lipids_023 SUBJECT_SAMPLE_FACTORS 82884 owl-2124-061 Gender:F | Group:AD Age=69; FOB (µL)=396; Batch=3; RAW_FILE_NAME=211104_21_0024_DON_Heces_SOH_Ens01_Lipids_034 SUBJECT_SAMPLE_FACTORS 972161 owl-2124-062 Gender:M | Group:AD Age=58; FOB (µL)=189; Batch=3; RAW_FILE_NAME=211111_21_0024_DON_Heces_SOH_Ens02_Lipids_036 SUBJECT_SAMPLE_FACTORS 727296 owl-2124-063 Gender:M | Group:AD Age=67; FOB (µL)=515; Batch=3; RAW_FILE_NAME=211104_21_0024_DON_Heces_SOH_Ens01_Lipids_056 SUBJECT_SAMPLE_FACTORS 310459 owl-2124-064 Gender:M | Group:AD Age=64; FOB (µL)=319; Batch=3; RAW_FILE_NAME=211104_21_0024_DON_Heces_SOH_Ens01_Lipids_063 SUBJECT_SAMPLE_FACTORS 302623 owl-2124-065 Gender:M | Group:AD Age=67; FOB (µL)=949; Batch=3; RAW_FILE_NAME=211104_21_0024_DON_Heces_SOH_Ens01_Lipids_066 SUBJECT_SAMPLE_FACTORS 2037554 owl-2124-066 Gender:M | Group:AD Age=58; FOB (µL)=266; Batch=3; RAW_FILE_NAME=211111_21_0024_DON_Heces_SOH_Ens02_Lipids_041 SUBJECT_SAMPLE_FACTORS 2021830 owl-2124-067 Gender:M | Group:AD Age=63; FOB (µL)=227; Batch=3; RAW_FILE_NAME=211104_21_0024_DON_Heces_SOH_Ens01_Lipids_022 SUBJECT_SAMPLE_FACTORS 2032652 owl-2124-068 Gender:M | Group:AD Age=59; FOB (µL)=290; Batch=3; RAW_FILE_NAME=211104_21_0024_DON_Heces_SOH_Ens01_Lipids_051 SUBJECT_SAMPLE_FACTORS 962486 owl-2124-069 Gender:M | Group:AD Age=61; FOB (µL)=290; Batch=3; RAW_FILE_NAME=211111_21_0024_DON_Heces_SOH_Ens02_Lipids_011 SUBJECT_SAMPLE_FACTORS 972267 owl-2124-070 Gender:M | Group:AD Age=57; FOB (µL)=290; Batch=3; RAW_FILE_NAME=211104_21_0024_DON_Heces_SOH_Ens01_Lipids_045 SUBJECT_SAMPLE_FACTORS 1376052 owl-2124-071 Gender:M | Group:AD Age=65; FOB (µL)=195; Batch=3; RAW_FILE_NAME=211104_21_0024_DON_Heces_SOH_Ens01_Lipids_067 SUBJECT_SAMPLE_FACTORS 508869 owl-2124-072 Gender:M | Group:AD Age=70; FOB (µL)=982; Batch=3; RAW_FILE_NAME=211111_21_0024_DON_Heces_SOH_Ens02_Lipids_045 SUBJECT_SAMPLE_FACTORS 745235 owl-2124-073 Gender:F | Group:AD Age=61; FOB (µL)=110; Batch=3; RAW_FILE_NAME=211111_21_0024_DON_Heces_SOH_Ens02_Lipids_078 SUBJECT_SAMPLE_FACTORS 2137670 owl-2124-074 Gender:F | Group:AD Age=67; FOB (µL)=589; Batch=3; RAW_FILE_NAME=211111_21_0024_DON_Heces_SOH_Ens02_Lipids_079 SUBJECT_SAMPLE_FACTORS 536016 owl-2124-075 Gender:M | Group:AD Age=61; FOB (µL)=499; Batch=3; RAW_FILE_NAME=211104_21_0024_DON_Heces_SOH_Ens01_Lipids_073 SUBJECT_SAMPLE_FACTORS 348275 owl-2124-076 Gender:F | Group:AD Age=52; FOB (µL)=809; Batch=3; RAW_FILE_NAME=211111_21_0024_DON_Heces_SOH_Ens02_Lipids_043 SUBJECT_SAMPLE_FACTORS 991383 owl-2124-077 Gender:M | Group:AD Age=53; FOB (µL)=193; Batch=3; RAW_FILE_NAME=211111_21_0024_DON_Heces_SOH_Ens02_Lipids_059 SUBJECT_SAMPLE_FACTORS 1598550 owl-2124-078 Gender:M | Group:AD Age=63; FOB (µL)=109; Batch=3; RAW_FILE_NAME=211104_21_0024_DON_Heces_SOH_Ens01_Lipids_029 SUBJECT_SAMPLE_FACTORS 562444 owl-2124-079 Gender:F | Group:AD Age=51; FOB (µL)=173; Batch=3; RAW_FILE_NAME=211104_21_0024_DON_Heces_SOH_Ens01_Lipids_036 SUBJECT_SAMPLE_FACTORS 1603525 owl-2124-080 Gender:F | Group:AD Age=61; FOB (µL)=181; Batch=3; RAW_FILE_NAME=211111_21_0024_DON_Heces_SOH_Ens02_Lipids_032 SUBJECT_SAMPLE_FACTORS 2020954 owl-2124-081 Gender:F | Group:AD Age=65; FOB (µL)=194; Batch=3; RAW_FILE_NAME=211104_21_0024_DON_Heces_SOH_Ens01_Lipids_032 SUBJECT_SAMPLE_FACTORS 1362261 owl-2124-082 Gender:M | Group:AD Age=71; FOB (µL)=867; Batch=3; RAW_FILE_NAME=211111_21_0024_DON_Heces_SOH_Ens02_Lipids_049 SUBJECT_SAMPLE_FACTORS 1596081 owl-2124-083 Gender:M | Group:AD Age=64; FOB (µL)=194; Batch=3; RAW_FILE_NAME=211104_21_0024_DON_Heces_SOH_Ens01_Lipids_042 SUBJECT_SAMPLE_FACTORS 91943 owl-2124-084 Gender:F | Group:AD Age=66; FOB (µL)=8223; Batch=3; RAW_FILE_NAME=211111_21_0024_DON_Heces_SOH_Ens02_Lipids_021 SUBJECT_SAMPLE_FACTORS 1386138 owl-2124-085 Gender:M | Group:AD Age=63; FOB (µL)=308; Batch=3; RAW_FILE_NAME=211111_21_0024_DON_Heces_SOH_Ens02_Lipids_044 SUBJECT_SAMPLE_FACTORS 1794076 owl-2124-086 Gender:F | Group:AD Age=69; FOB (µL)=128; Batch=3; RAW_FILE_NAME=211111_21_0024_DON_Heces_SOH_Ens02_Lipids_037 SUBJECT_SAMPLE_FACTORS 956378 owl-2124-087 Gender:M | Group:AD Age=63; FOB (µL)=128; Batch=3; RAW_FILE_NAME=211104_21_0024_DON_Heces_SOH_Ens01_Lipids_068 SUBJECT_SAMPLE_FACTORS 131056 owl-2124-088 Gender:F | Group:AD Age=54; FOB (µL)=176; Batch=3; RAW_FILE_NAME=211111_21_0024_DON_Heces_SOH_Ens02_Lipids_017 SUBJECT_SAMPLE_FACTORS 737169 owl-2124-089 Gender:M | Group:AD Age=65; FOB (µL)=161; Batch=3; RAW_FILE_NAME=211111_21_0024_DON_Heces_SOH_Ens02_Lipids_024 SUBJECT_SAMPLE_FACTORS 1632217 owl-2124-090 Gender:F | Group:AD Age=53; FOB (µL)=107; Batch=3; RAW_FILE_NAME=211104_21_0024_DON_Heces_SOH_Ens01_Lipids_023 SUBJECT_SAMPLE_FACTORS 939523 owl-2124-091 Gender:F | Group:AD Age=69; FOB (µL)=148; Batch=3; RAW_FILE_NAME=211111_21_0024_DON_Heces_SOH_Ens02_Lipids_052 SUBJECT_SAMPLE_FACTORS 2019369 owl-2124-092 Gender:F | Group:AD Age=65; FOB (µL)=1445; Batch=3; RAW_FILE_NAME=211104_21_0024_DON_Heces_SOH_Ens01_Lipids_014 SUBJECT_SAMPLE_FACTORS 1384376 owl-2124-093 Gender:M | Group:AD Age=63; FOB (µL)=218; Batch=3; RAW_FILE_NAME=211111_21_0024_DON_Heces_SOH_Ens02_Lipids_048 SUBJECT_SAMPLE_FACTORS 1797978 owl-2124-094 Gender:M | Group:AD Age=68; FOB (µL)=1287; Batch=3; RAW_FILE_NAME=211111_21_0024_DON_Heces_SOH_Ens02_Lipids_056 SUBJECT_SAMPLE_FACTORS 1812253 owl-2124-095 Gender:M | Group:AD Age=63; FOB (µL)=248; Batch=3; RAW_FILE_NAME=211104_21_0024_DON_Heces_SOH_Ens01_Lipids_058 SUBJECT_SAMPLE_FACTORS 10340501 owl-2124-096 Gender:F | Group:AD Age=69; FOB (µL)=178; Batch=3; RAW_FILE_NAME=211104_21_0024_DON_Heces_SOH_Ens01_Lipids_052 SUBJECT_SAMPLE_FACTORS 291883 owl-2124-097 Gender:F | Group:CRC Age=71; FOB (µL)=170; Batch=3; RAW_FILE_NAME=211111_21_0024_DON_Heces_SOH_Ens02_Lipids_054 SUBJECT_SAMPLE_FACTORS 1791376 owl-2124-098 Gender:M | Group:CRC Age=69; FOB (µL)=749; Batch=3; RAW_FILE_NAME=211104_21_0024_DON_Heces_SOH_Ens01_Lipids_048 SUBJECT_SAMPLE_FACTORS CTL13 owl-1923-001 Gender:- | Group:CTL Age=-; FOB (µL)=-; Batch=2; RAW_FILE_NAME=191126_19_0023_Extr Heces_Lipids_024 SUBJECT_SAMPLE_FACTORS CTL14 owl-1923-002 Gender:F | Group:CTL Age=24; FOB (µL)=1759; Batch=2; RAW_FILE_NAME=191126_19_0023_Extr Heces_Lipids_053 SUBJECT_SAMPLE_FACTORS CTL15 owl-1923-003 Gender:F | Group:CTL Age=58; FOB (µL)=132; Batch=2; RAW_FILE_NAME=191126_19_0023_Extr Heces_Lipids_020 SUBJECT_SAMPLE_FACTORS CTL16 owl-1923-004 Gender:M | Group:CTL Age=50; FOB (µL)=111; Batch=2; RAW_FILE_NAME=191126_19_0023_Extr Heces_Lipids_025 SUBJECT_SAMPLE_FACTORS CTL17 owl-1923-005 Gender:F | Group:CTL Age=60; FOB (µL)=215; Batch=2; RAW_FILE_NAME=191126_19_0023_Extr Heces_Lipids_049 SUBJECT_SAMPLE_FACTORS CTL18 owl-1923-006 Gender:M | Group:CTL Age=65; FOB (µL)=2260; Batch=2; RAW_FILE_NAME=191126_19_0023_Extr Heces_Lipids_057 SUBJECT_SAMPLE_FACTORS CTL19 owl-1923-007 Gender:F | Group:CTL Age=68; FOB (µL)=137; Batch=2; RAW_FILE_NAME=191126_19_0023_Extr Heces_Lipids_015 SUBJECT_SAMPLE_FACTORS CTL20 owl-1923-008 Gender:M | Group:CTL Age=70; FOB (µL)=1237; Batch=2; RAW_FILE_NAME=191126_19_0023_Extr Heces_Lipids_038 SUBJECT_SAMPLE_FACTORS CTL21 owl-1923-009 Gender:F | Group:CTL Age=55; FOB (µL)=456; Batch=2; RAW_FILE_NAME=191126_19_0023_Extr Heces_Lipids_022 SUBJECT_SAMPLE_FACTORS CTL22 owl-1923-010 Gender:M | Group:CTL Age=63; FOB (µL)=142; Batch=2; RAW_FILE_NAME=191126_19_0023_Extr Heces_Lipids_019 SUBJECT_SAMPLE_FACTORS CTL25 owl-1923-013 Gender:F | Group:CTL Age=65; FOB (µL)=169; Batch=2; RAW_FILE_NAME=191126_19_0023_Extr Heces_Lipids_031 SUBJECT_SAMPLE_FACTORS AD21 owl-1923-016 Gender:M | Group:AD Age=64; FOB (µL)=143; Batch=2; RAW_FILE_NAME=191126_19_0023_Extr Heces_Lipids_039 SUBJECT_SAMPLE_FACTORS AD22 owl-1923-017 Gender:F | Group:AD Age=56; FOB (µL)=1472; Batch=2; RAW_FILE_NAME=191126_19_0023_Extr Heces_Lipids_034 SUBJECT_SAMPLE_FACTORS AD23 owl-1923-018 Gender:M | Group:AD Age=63; FOB (µL)=399; Batch=2; RAW_FILE_NAME=191126_19_0023_Extr Heces_Lipids_040 SUBJECT_SAMPLE_FACTORS AD24 owl-1923-019 Gender:M | Group:AD Age=62; FOB (µL)=101; Batch=2; RAW_FILE_NAME=191126_19_0023_Extr Heces_Lipids_052 SUBJECT_SAMPLE_FACTORS AD25 owl-1923-020 Gender:M | Group:AD Age=55; FOB (µL)=100; Batch=2; RAW_FILE_NAME=191126_19_0023_Extr Heces_Lipids_016 SUBJECT_SAMPLE_FACTORS AD26 owl-1923-021 Gender:M | Group:AD Age=61; FOB (µL)=190; Batch=2; RAW_FILE_NAME=191126_19_0023_Extr Heces_Lipids_033 SUBJECT_SAMPLE_FACTORS AD27 owl-1923-022 Gender:F | Group:AD Age=59; FOB (µL)=182; Batch=2; RAW_FILE_NAME=191126_19_0023_Extr Heces_Lipids_032 SUBJECT_SAMPLE_FACTORS AD28 owl-1923-023 Gender:M | Group:AD Age=53; FOB (µL)=156; Batch=2; RAW_FILE_NAME=191126_19_0023_Extr Heces_Lipids_014 SUBJECT_SAMPLE_FACTORS AD29 owl-1923-024 Gender:M | Group:AD Age=53; FOB (µL)=263; Batch=2; RAW_FILE_NAME=191126_19_0023_Extr Heces_Lipids_028 SUBJECT_SAMPLE_FACTORS AD30 owl-1923-025 Gender:M | Group:AD Age=64; FOB (µL)=180; Batch=2; RAW_FILE_NAME=191126_19_0023_Extr Heces_Lipids_058 SUBJECT_SAMPLE_FACTORS AD31 owl-1923-026 Gender:M | Group:AD Age=60; FOB (µL)=1374; Batch=2; RAW_FILE_NAME=191126_19_0023_Extr Heces_Lipids_013 SUBJECT_SAMPLE_FACTORS CRC11 owl-1923-031 Gender:M | Group:CRC Age=55; FOB (µL)=2330; Batch=2; RAW_FILE_NAME=191126_19_0023_Extr Heces_Lipids_044 SUBJECT_SAMPLE_FACTORS CRC12 owl-1923-032 Gender:F | Group:CRC Age=60; FOB (µL)=1739; Batch=2; RAW_FILE_NAME=191126_19_0023_Extr Heces_Lipids_047 SUBJECT_SAMPLE_FACTORS CRC13 owl-1923-033 Gender:M | Group:CRC Age=50; FOB (µL)=254; Batch=2; RAW_FILE_NAME=191126_19_0023_Extr Heces_Lipids_023 SUBJECT_SAMPLE_FACTORS CRC14 owl-1923-034 Gender:F | Group:CRC Age=65; FOB (µL)=1492; Batch=2; RAW_FILE_NAME=191126_19_0023_Extr Heces_Lipids_042 SUBJECT_SAMPLE_FACTORS CRC17 owl-1923-036 Gender:F | Group:CRC Age=66; FOB (µL)=1226; Batch=2; RAW_FILE_NAME=191126_19_0023_Extr Heces_Lipids_048 SUBJECT_SAMPLE_FACTORS CRC18 owl-1923-037 Gender:M | Group:CRC Age=67; FOB (µL)=1287; Batch=2; RAW_FILE_NAME=191126_19_0023_Extr Heces_Lipids_050 SUBJECT_SAMPLE_FACTORS CRC19 owl-1923-038 Gender:M | Group:CRC Age=67; FOB (µL)=2912; Batch=2; RAW_FILE_NAME=191126_19_0023_Extr Heces_Lipids_059 SUBJECT_SAMPLE_FACTORS CRC20 owl-1923-039 Gender:M | Group:CRC Age=69; FOB (µL)=2120; Batch=2; RAW_FILE_NAME=191126_19_0023_Extr Heces_Lipids_030 SUBJECT_SAMPLE_FACTORS CRC21 owl-1923-040 Gender:M | Group:CRC Age=54; FOB (µL)=3819; Batch=2; RAW_FILE_NAME=191126_19_0023_Extr Heces_Lipids_041 SUBJECT_SAMPLE_FACTORS CRC22 owl-1923-041 Gender:F | Group:CRC Age=54; FOB (µL)=4943; Batch=2; RAW_FILE_NAME=191126_19_0023_Extr Heces_Lipids_012 SUBJECT_SAMPLE_FACTORS CRC23 owl-1923-042 Gender:F | Group:CRC Age=62; FOB (µL)=471; Batch=2; RAW_FILE_NAME=191126_19_0023_Extr Heces_Lipids_056 #COLLECTION CO:COLLECTION_SUMMARY Samples were collected from the Biodonostia Health Research Institute. The CO:COLLECTION_SUMMARY inclusion criteria were asymptomatic individuals with intermediate risk. That CO:COLLECTION_SUMMARY is, individuals from 50 to 69 years that do not have clinical symptoms, and CO:COLLECTION_SUMMARY patients that do not have any family history or other factor associated with CO:COLLECTION_SUMMARY colorectal cancer. The study was conducted according to the clinical and ethical CO:COLLECTION_SUMMARY principals of the Spanish Government and the Declaration of Helsinki and it was CO:COLLECTION_SUMMARY approved by the Ethics Committee for Clinical Research of Euskadi (PI2013073). CO:COLLECTION_SUMMARY Informed consent was obtained from each individual. Patients and control CO:COLLECTION_SUMMARY individuals self-collected a fecal sample from one bowel movement without CO:COLLECTION_SUMMARY specific diet or medication restrictions at home the week before a colonoscopy CO:COLLECTION_SUMMARY was performed. CO:SAMPLE_TYPE Feces #TREATMENT TR:TREATMENT_SUMMARY The fecal samples was delivered to the hospital and brought to the laboratory in TR:TREATMENT_SUMMARY less than 4 hours, split in aliquots and immediately frozen at -80 °C. one TR:TREATMENT_SUMMARY aliquot of each sample was employed for fecal occult blood (FOB) measurement. TR:TREATMENT_SUMMARY The remaining volume of each of the FOB extract was frozen at -80 °C until its TR:TREATMENT_SUMMARY use for metabolomics analysis. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY SP.pdf contains all the detailed information related to sample preparation. SP:SAMPLEPREP_PROTOCOL_FILENAME SP.pdf #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Waters Acquity CH:COLUMN_NAME Waters Acquity UPLC BEH C18 (100 x 1.0 mm, 1.7um) CH:SOLVENT_A 40% water/60% acetonitrile; 10mM ammonium formate CH:SOLVENT_B 25% acetonitrile/75% isopropanol; 10mM ammonium formate CH:FLOW_GRADIENT A 10 minutes linear gradient increasing from 40% to 100% of B was used. After 5 CH:FLOW_GRADIENT minutes at 100% B, the mobile phase was reset to the initial conditions and CH:FLOW_GRADIENT maintained for 2 minutes. Total run 17 minutes. CH:FLOW_RATE 0.15 mL/min CH:COLUMN_TEMPERATURE - #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Waters QTOF Premier MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS The mass spectra data were acquired in positive ionization mode with capillary MS:MS_COMMENTS and cone voltages of 2000 and 35 V, respectively. The desolvation gas was set to MS:MS_COMMENTS 1000 L/h at a temperature of 400 °C. The cone gas was set to 30 L/h, and the MS:MS_COMMENTS source temperature was set to 120 °C. The MS detector operated in centroid MS:MS_COMMENTS acquisition mode for a m/z range of 50-1200, using an accumulation time of 0.5 s MS:MS_COMMENTS per spectrum. All spectra were mass corrected in real time by reference to MS:MS_COMMENTS leucine enkephaline, infused at 10 µL/min through an independent reference MS:MS_COMMENTS electrospray, sampled every 10 s. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS normalized peak area MS_METABOLITE_DATA_START Samples owl-1923-001 owl-1923-002 owl-1923-003 owl-1923-004 owl-1923-005 owl-1923-006 owl-1923-007 owl-1923-008 owl-1923-009 owl-1923-010 owl-1923-013 owl-1923-016 owl-1923-017 owl-1923-018 owl-1923-019 owl-1923-020 owl-1923-021 owl-1923-022 owl-1923-023 owl-1923-024 owl-1923-025 owl-1923-026 owl-1923-031 owl-1923-032 owl-1923-033 owl-1923-034 owl-1923-036 owl-1923-037 owl-1923-038 owl-1923-039 owl-1923-040 owl-1923-041 owl-1923-042 owl-2124-001 owl-2124-002 owl-2124-003 owl-2124-004 owl-2124-005 owl-2124-006 owl-2124-007 owl-2124-008 owl-2124-009 owl-2124-010 owl-2124-011 owl-2124-012 owl-2124-013 owl-2124-014 owl-2124-015 owl-2124-016 owl-2124-017 owl-2124-018 owl-2124-019 owl-2124-020 owl-2124-021 owl-2124-022 owl-2124-023 owl-2124-024 owl-2124-025 owl-2124-026 owl-2124-027 owl-2124-028 owl-2124-029 owl-2124-030 owl-2124-031 owl-2124-032 owl-2124-033 owl-2124-034 owl-2124-035 owl-2124-036 owl-2124-037 owl-2124-038 owl-2124-039 owl-2124-040 owl-2124-041 owl-2124-042 owl-2124-043 owl-2124-044 owl-2124-045 owl-2124-046 owl-2124-047 owl-2124-048 owl-2124-049 owl-2124-050 owl-2124-051 owl-2124-052 owl-2124-053 owl-2124-054 owl-2124-055 owl-2124-056 owl-2124-057 owl-2124-058 owl-2124-059 owl-2124-060 owl-2124-061 owl-2124-062 owl-2124-063 owl-2124-064 owl-2124-065 owl-2124-066 owl-2124-067 owl-2124-068 owl-2124-069 owl-2124-070 owl-2124-071 owl-2124-072 owl-2124-073 owl-2124-074 owl-2124-075 owl-2124-076 owl-2124-077 owl-2124-078 owl-2124-079 owl-2124-080 owl-2124-081 owl-2124-082 owl-2124-083 owl-2124-084 owl-2124-085 owl-2124-086 owl-2124-087 owl-2124-088 owl-2124-089 owl-2124-090 owl-2124-091 owl-2124-092 owl-2124-093 owl-2124-094 owl-2124-095 owl-2124-096 owl-2124-097 owl-2124-098 Factors Gender:- | Group:CTL Gender:F | Group:CTL Gender:F | Group:CTL Gender:M | Group:CTL Gender:F | Group:CTL Gender:M | Group:CTL Gender:F | Group:CTL Gender:M | Group:CTL Gender:F | Group:CTL Gender:M | Group:CTL Gender:F | Group:CTL Gender:M | Group:AD Gender:F | Group:AD Gender:M | Group:AD Gender:M | Group:AD Gender:M | Group:AD Gender:M | Group:AD Gender:F | Group:AD Gender:M | Group:AD Gender:M | Group:AD Gender:M | Group:AD Gender:M | Group:AD Gender:M | Group:CRC Gender:F | Group:CRC Gender:M | Group:CRC Gender:F | Group:CRC Gender:F | Group:CRC Gender:M | Group:CRC Gender:M | Group:CRC Gender:M | Group:CRC Gender:M | Group:CRC Gender:F | Group:CRC Gender:F | Group:CRC Gender:M | Group:CTL Gender:M | Group:CTL Gender:M | Group:CTL Gender:M | Group:CTL Gender:M | Group:CTL Gender:F | Group:CTL Gender:F | Group:CTL Gender:F | Group:CTL Gender:M | Group:CTL Gender:M | Group:CTL Gender:M | Group:CTL Gender:F | Group:CTL Gender:F | Group:CTL Gender:M | Group:CTL Gender:F | Group:CTL Gender:M | Group:CTL Gender:F | Group:CTL Gender:M | Group:CTL Gender:M | Group:CTL Gender:F | Group:CTL Gender:F | Group:CTL Gender:F | Group:CTL Gender:F | Group:CTL Gender:F | Group:CTL Gender:M | Group:CTL Gender:M | Group:CTL Gender:M | Group:CTL Gender:F | Group:CTL Gender:F | Group:CTL Gender:F | Group:CTL Gender:M | Group:CTL Gender:F | Group:CTL Gender:M | Group:CTL Gender:F | Group:CTL Gender:F | Group:CTL Gender:M | Group:CTL Gender:M | Group:CTL Gender:F | Group:CTL Gender:F | Group:CTL Gender:F | Group:CTL Gender:M | Group:CTL Gender:F | Group:CTL Gender:F | Group:CTL Gender:F | Group:CTL Gender:M | Group:CTL Gender:F | Group:CTL Gender:F | Group:CTL Gender:M | Group:CTL Gender:F | Group:CTL Gender:M | Group:CTL Gender:F | Group:CTL Gender:F | Group:AD Gender:M | Group:AD Gender:F | Group:AD Gender:M | Group:AD Gender:F | Group:AD Gender:F | Group:AD Gender:F | Group:AD Gender:F | Group:AD Gender:F | Group:AD Gender:F | Group:AD Gender:M | Group:AD Gender:M | Group:AD Gender:M | Group:AD Gender:M | Group:AD Gender:M | Group:AD Gender:M | Group:AD Gender:M | Group:AD Gender:M | Group:AD Gender:M | Group:AD Gender:M | Group:AD Gender:M | Group:AD Gender:F | Group:AD Gender:F | Group:AD Gender:M | Group:AD Gender:F | Group:AD Gender:M | Group:AD Gender:M | Group:AD Gender:F | Group:AD Gender:F | Group:AD Gender:F | Group:AD Gender:M | Group:AD Gender:M | Group:AD Gender:F | Group:AD Gender:M | Group:AD Gender:F | Group:AD Gender:M | Group:AD Gender:F | Group:AD Gender:M | Group:AD Gender:F | Group:AD Gender:F | Group:AD Gender:F | Group:AD Gender:M | Group:AD Gender:M | Group:AD Gender:M | Group:AD Gender:F | Group:AD Gender:F | Group:CRC Gender:M | Group:CRC ChoE (16:0) 0.003728331 0.00498729 0.00126747 0.002739344 0.004465927 0.030157505 0.00442845 0.013424789 0.00997833 0.000716867 0.003734875 0.004028642 0.018428073 0.002834761 0.007887995 0.006960449 0.007885103 0.00524904 0.008412413 0.000529225 0.01805971 0.003841445 0.001777752 0.005666292 0.009180817 0.002839611 0.009317133 0.002289242 0.011343272 0.007612442 0.010420249 0.010488982 0.007695332 0.003237072 0.008612612 0.007483433 0.012442686 0.014050841 0.009806533 0.00085546 0.002874991 0.003376334 0.001854984 0.009296053 0.001740764 0.012579639 0.016822192 0.014456179 0.000680276 0.00186139 0.009498624 0.005387721 0.006808833 0.009059387 0.001719505 0.002858299 0.005289568 0.013381236 0.001454366 0.004506479 0.005403082 0.008091194 0.00404389 0.005336873 0.004475167 0.010727591 0.001291637 0.014778112 0.002268072 0.022454201 0.004446365 0.00381887 0.002286973 0.009199767 0.004800486 0.004002713 0.009702282 0.004169323 0.012841143 0.001929778 0.004259078 0.004800327 0.001043108 0.006318342 0.034567112 0.006672414 0.001549961 0.007918362 0.018831582 0.000781879 0.002944548 0.03960719 0.00618064 0.007986049 0.007385002 0.004654657 0.004776853 0.005406213 0.002623715 0.012163562 0.014452803 0.005120674 0.008644688 0.002516072 0.007400489 0.006258444 0.006544602 0.014688703 0.027298027 0.002970381 0.000734269 0.004249121 0.004480275 0.002340298 0.014131693 0.003603217 0.005979112 0.006071453 0.001689282 0.003699074 0.001167899 0.002639415 0.001443106 0.00156743 0.001322734 0.003844025 0.01151964 0.026230819 0.002368913 0.002178332 0.013022392 ChoE (18:1) 0.003120316 0.000517666 0.001004149 0.001492992 0.001750769 0.065357786 0.006491344 0.00785642 0.002868441 0.000474639 0.004275579 0.000519495 0.025308745 0.003274495 0.006144736 0.010479829 0.006979365 0.007995375 0.003795727 0.002677846 0.015801508 0.002886648 0.003375207 0.003569961 0.016178056 0.001547643 0.010708227 0.00219604 0.01418938 0.006704052 0.007968268 0.009484221 0.007332902 0.002781816 0.012950521 0.009160439 0.009256774 0.041627463 0.010621226 0.002148809 0.00498018 0.000407126 0.002569676 0.015654773 0.000754748 0.010272234 0.023381978 0.016929055 0.001716329 0.000651959 0.010945147 0.007746057 0.022924406 0.011835999 0.003118176 0.00644454 0.00546949 0.008456309 0.001134621 0.006131302 0.005996256 0.010768094 0.001728616 0.007733303 0.007114254 0.017008979 0.002021128 0.022152427 0.003926925 0.0459756 0.002439675 0.003831814 0.001238685 0.007647063 0.004649128 0.002113339 0.006386921 0.002403035 0.016195531 0.003792812 0.004995494 0.00473946 0.001082 0.003750165 0.13699505 0.008450887 0.005402869 0.008258627 0.035122562 0.001223815 0.005043991 0.080558516 0.002470862 0.007838105 0.014382405 0.00602885 0.004429387 0.007451204 0.003090599 0.012272555 0.035347004 0.012173461 0.017135874 0.006006084 0.004292805 0.008801126 0.00341784 0.028396215 0.056103672 0.003049451 0.001260155 0.016007626 0.007806577 0.002583518 0.059679684 0.011512132 0.008012607 0.008601978 0.002217973 0.009203168 0.000678606 0.004622072 0.003632611 0.002553314 0.001125775 0.001490054 0.009171727 0.062233582 0.002102614 0.005646465 0.019668928 ChoE (18:2) 0.00064136 0.000202793 9.72E-05 0.000546511 0.000211233 0.01780681 0.003140463 0.006135516 0.003145547 0.000112547 0.000610866 9.60E-05 0.007478321 0.000652396 0.001901358 0.002290944 0.00107239 0.000919976 0.000404112 0.001022588 0.002702819 0.000321324 0.002168392 0.001971976 0.002882654 0.000522685 0.004743311 0.001454474 0.003748632 0.008158689 0.002937921 0.01051003 0.003204425 0.001235864 0.003248854 0.002061491 0.00214479 0.012093408 0.001450749 0.00273464 0.00327489 0.000143301 0.000721572 0.004160153 0.000785783 0.003613451 0.006576954 0.003056724 0.000535181 0.00082889 0.001737127 0.001528619 0.002315847 0.002181734 0.003766716 0.00188451 0.000841867 0.001844811 0.000342288 0.001387811 0.001397276 0.002469266 0.000486246 0.004389836 0.001874442 0.011219809 0.000612584 0.008547603 0.001669291 0.026753 0.000744263 0.000694082 0.000498333 0.002034203 0.000757326 0.000512134 0.003816776 0.001308266 0.003413972 0.001640592 0.001595363 0.002065193 0.000249216 0.000823785 0.022049195 0.001729295 0.002790344 0.003250899 0.006628058 0.000479969 0.004870723 0.022804942 0.000555026 0.001233882 0.002463645 0.000908296 0.001325911 0.001910726 0.000768844 0.002303567 0.015174574 0.003375657 0.009672716 0.004074311 0.001543897 0.002008822 0.000802199 0.004606629 0.016642672 0.0007361 0.000472914 0.00256415 0.002078377 0.001170176 0.015262687 0.00618851 0.011549655 0.001524463 0.000582224 0.001941874 0.000249074 0.000684054 0.001461791 0.000694474 0.000946037 0.00042684 0.003569095 0.00675972 0.00078297 0.004119703 0.006507441 ChoE (18:3) 0.013607269 0.004182386 0.007555609 0.01394593 0.002808685 0.018548748 0.018421659 0.016924109 0.006078014 0.002504033 0.00531074 0.003748324 0.017249352 0.005829084 0.019719926 0.011595158 0.005577408 0.008798804 0.003297016 0.002296992 0.011918397 0.00344007 0.006930397 0.007070694 0.014807138 0.003152024 0.008260015 0.008145511 0.012932187 0.00796232 0.005081416 0.01936901 0.006075443 0.003804059 0.00727329 0.003854932 0.004962147 0.02697545 0.006861306 0.010127561 0.010574873 0.000859371 0.002303948 0.036409067 0.001670791 0.004943806 0.027374094 0.004683468 0.002427459 0.000809233 0.003579646 0.00982812 0.009698586 0.006293604 0.005320664 0.00346368 0.002850745 0.005858896 0.001587316 0.007284591 0.002770042 0.003612443 0.004221888 0.010618937 0.008138604 0.013092192 0.001753668 0.008643836 0.00787906 0.013728188 0.001742621 0.001566034 0.002458485 0.008020018 0.002393291 0.001606597 0.004435438 0.003991382 0.011594926 0.007057326 0.004313739 0.002705164 0.003975829 0.000936043 0.031586275 0.006432189 0.04167141 0.018740931 0.025503764 0.000688366 0.008805316 0.038178533 0.001383235 0.003643413 0.009272954 0.001868396 0.001468364 0.004672607 0.001791317 0.006019586 0.019527156 0.011915294 0.011264969 0.010325456 0.002508627 0.009876598 0.001395723 0.009287486 0.035022359 0.004484789 0.001538048 0.002923263 0.006431452 0.003410412 0.036467577 0.027801651 0.025899933 0.005464559 0.001221482 0.005982314 0.001173138 0.003784073 0.008005042 0.00449667 0.004891264 0.001034642 0.010389674 0.040573931 0.003335491 0.000778098 0.013961679 ChoE (20:2) 0.586558321 0.397455499 0.170910291 0.226290269 0.089079862 1.824792542 0.422603649 2.448008012 1.291165428 0.069875731 0.23329188 0.123528649 1.779025529 0.563965548 1.528258839 5.909629998 0.328134518 0.713558618 0.145292261 1.00198872 0.341645872 0.065687999 0.905370201 0.94619868 0.348437701 0.001450264 1.055787361 0.194676942 0.21426314 0.768985118 1.16691413 0.871809521 0.36923825 0.710042603 0.378917126 0.204516996 0.211279177 2.519545693 0.531297386 0.549037389 1.064546998 0.197627417 0.303081154 0.901532771 0.070392172 0.215607683 1.007592153 0.88031416 0.232665204 0.803730401 0.283878444 0.50843998 0.282783562 11.7967349 0.371094027 1.055853341 0.121368842 0.73637659 0.128784537 6.634608152 0.06846138 0.566513514 0.361457228 1.544375378 0.560905549 1.266935311 0.458953684 4.463848093 2.099231659 1.616197314 0.023264519 0.190263051 0.425109483 0.526676183 0.232526473 0.029672893 0.612819778 0.196391115 0.362016018 0.463284854 0.227404005 0.117111182 0.072914888 1.26140066 1.921923766 0.891419369 23.30662269 0.850139911 1.948319914 0.128808269 1.909340741 2.954436739 0.036093065 0.21176118 1.368284487 0.085892305 0.187546911 0.240606571 0.131202722 0.184971736 1.948615721 1.056719087 0.863433344 1.132486953 0.014502635 37.23056453 0.302769607 0.686215596 1.319034414 0.35154629 0.302268959 0.388664004 1.891956384 0.378414706 1.744555608 1.28098703 1.069354842 1.646449772 0.315500344 1.247995938 0.111915837 0.771966146 0.590231387 0.660806048 0.308787878 0.152794749 0.357261546 0.27922597 0.312861349 1.014965194 16.29039742 ChoE (20:4) 0.000420449 5.67E-06 0.000295801 6.42E-05 0.000276704 0.01160175 0.002411587 0.003255543 1.57E-05 0.000117734 0.000779229 6.73E-05 0.001236689 0.000589122 0.002393441 0.000195692 0.001356716 0.001343323 0.000434893 0.000120394 0.00325659 0.000545994 0.001282044 0.001451032 0.0140809 0.001277569 0.005606489 0.000349814 0.008877158 0.00681033 0.000660686 0.007118964 0.002443481 0.000805097 0.005852375 0.003601417 0.002808928 0.005688445 0.001953955 0.001088069 0.001114858 0.000218635 0.000366782 0.0018224 0.001100594 0.003773169 0.003570203 0.00429884 0.000883321 0.002403141 0.004945647 0.000655967 0.004821792 0.00247048 0.000966845 0.000919494 0.000879457 0.002276214 0.000766228 0.002317771 0.001519369 0.002796731 0.00014502 0.003916416 0.001495709 0.001669158 0.000375067 0.002511108 0.000260263 0.010237502 0.001365281 0.000695505 0.000301665 0.001911654 0.001338908 0.000861943 0.003139801 0.002398662 0.004909064 0.00123806 0.001965533 0.004879263 0.000230492 0.000323666 0.031799946 0.001436499 0.004987593 0.002355179 0.002366316 0.000293634 0.002420871 0.01148278 0.000723449 0.00206125 0.001586304 0.00164775 0.002024057 0.003136075 0.000627281 0.003749909 0.008021509 0.002811239 0.009604189 0.001231095 0.002237428 0.001710354 0.000397275 0.006059452 0.007892692 0.000935558 0.000333985 0.001023893 0.00086616 0.000936717 0.006143101 0.001343501 0.008872989 0.001393354 0.000555923 0.003423565 0.000159956 0.000859415 0.000937332 0.000864123 0.000479104 0.001021006 0.002359993 0.005233068 0.00063562 0.005839733 0.007389144 ChoE (20:5) 0.003412021 0.000628373 0.005176654 0.010647031 2.78E-06 0.014616943 0.011160002 0.051640263 0.06722363 2.57E-05 0.042386661 5.57E-05 0.040963883 0.00415481 0.093570879 0.001759962 0.001665085 0.059874549 0.001551789 0.047896054 0.009623685 0.0065023 0.007308919 0.006134307 0.77938992 0.003107245 0.035962708 0.002103566 0.025721348 0.038076721 0.003611438 0.055520978 0.029990699 0.004402617 0.006144048 0.005617253 0.012479687 0.010157823 0.003117155 0.018951829 0.006671307 0.000452727 0.000256616 0.015736218 0.001647452 0.01554857 0.004822169 0.011059626 0.001033407 0.022650521 0.113126114 0.003353699 0.009987807 0.005305416 0.042394152 0.010098763 0.001923568 0.008974283 0.015501766 0.00285654 0.025399844 0.008035756 0.001760232 0.123651205 0.007531855 0.003173593 0.002180087 0.00251624 0.00422118 0.2332241 0.0039592 0.003467222 0.000826488 0.005413549 0.028572013 0.001210894 0.002434458 0.007899091 0.094640896 0.017950139 0.009197299 0.013241666 2.78E-05 0.000299974 0.273258341 0.007962233 0.042372687 0.00712807 0.014864832 3.00E-05 0.045457996 0.105586182 0.001479515 0.003899494 0.008049623 0.011390273 0.000497752 0.058436001 0.00416111 0.010901563 0.083312092 0.008153007 0.021016909 0.070182273 0.004903118 0.003033287 0.003956125 0.00937714 0.023129971 0.009308106 0.003480482 0.005451678 0.001631412 0.008386263 0.036760242 0.026057717 0.154931974 0.013466058 0.000554975 0.007663691 0.004164559 0.003380723 0.000860299 0.001753093 0.00489935 0.000561725 0.026410279 0.006168606 0.001256055 0.020166009 0.006362479 ChoE (22:4) 0.06578726 0.08025127 0.024369311 0.900971284 0.02762142 4.26456032 0.558178031 0.317005101 1.670559232 0.000435148 0.144335084 0.02012467 1.60402328 0.20751218 0.43137532 0.57032987 0.618942379 0.076248949 0.21468358 0.186747372 2.39303917 0.126064879 0.13891524 0.02682655 3.13459206 0.000680151 0.099046119 0.184281274 0.93366399 0.13890107 0.145599399 0.214048359 0.067269751 0.067061193 0.580754449 0.648836787 0.988020312 0.694179199 0.509402219 0.091274265 0.157774151 0.000735011 0.016430774 0.845410458 0.01145228 0.169496526 0.564623001 0.284628125 0.100907957 0.626267268 4.440665413 0.174532902 0.319686486 0.233937003 0.019439001 0.92214344 0.190944189 0.703580907 0.035921586 0.46181221 1.341612177 0.314425306 0.000680151 1.398996168 0.151061488 0.266943574 0.043487105 0.255284975 0.073690604 3.659281446 0.010348736 0.108796723 0.037770963 0.300190883 0.595928653 0.049884891 0.202006963 0.116735167 1.278610048 0.130707426 0.073799058 0.175925755 0.014627856 0.004351475 8.14134521 0.212170954 0.343939714 0.462529213 0.908896691 0.000870295 1.336668968 14.97932756 0.001115299 0.397953987 0.250733605 0.725187974 0.234591462 0.341660491 0.070988216 1.199967383 1.25656231 0.226178842 1.561839432 0.181566454 0.042001615 0.268235771 0.2192816 0.576793263 0.810141221 0.156204399 0.029770028 0.463186592 0.360055546 0.026817425 3.019726983 0.229855711 0.140007799 0.16134563 0.111281332 0.444333495 0.046929632 0.130994169 0.024687416 0.063260069 0.022716598 0.031302251 0.188966978 0.685598906 0.079774012 0.08965647 2.184048308 ChoE (22:5) 0.049399903 0.098162069 0.020873108 0.007928074 0.000518984 1.407872708 0.41244557 0.043002672 0.730894831 0.00048548 0.158939716 0.000792807 0.369170062 0.082908434 0.267305155 0.118312622 0.231336552 0.119853526 0.037209123 0.033514283 0.606308518 0.096850028 0.086683841 0.105385762 6.111430299 0.013209207 0.04042828 0.131829689 0.3432596 0.107927421 0.019988792 0.182663054 0.050497567 0.067127653 0.157536122 0.214716147 0.252975036 0.323400376 0.164627215 0.338030304 0.047037018 0.005189839 0.000650196 0.401601205 0.000675196 0.352751817 0.745200564 0.144854746 0.056445422 0.381320326 0.997499491 0.103370442 0.53280707 0.051434794 0.074809499 0.490213099 0.169196197 0.188431203 0.020630935 0.164146304 0.950751194 0.103005391 0.021295899 1.610257977 0.061911155 0.082919104 0.039046627 0.182771009 0.025553144 2.93456942 0.013083161 0.027812973 0.012505671 0.07952043 0.273942178 0.023283479 0.06127351 0.076749797 1.40747756 0.116709506 0.084225314 0.122595864 0.004854805 0.006501958 3.484088219 0.137085676 0.536668818 0.096138734 0.307500758 0.006751958 0.596316258 2.485399304 0.009627336 0.158705626 0.27322431 0.300324161 0.073865356 0.413798213 0.070556166 0.391300185 0.7056934 0.090664549 0.63482388 0.17216062 0.129753807 0.113921136 0.203986578 0.208036173 0.14958806 0.642060332 0.021348558 0.138198622 0.114930019 0.032248966 0.900455864 0.050228016 0.571766243 0.135889184 0.043134528 0.202608568 0.000962734 0.082137209 0.039573818 0.172007555 0.026276622 0.012780908 0.14904949 0.204531643 0.033514908 0.043321573 0.354413001 ChoE (22:6) 0.018835641 0.021997274 0.025379539 0.019424947 0.013092686 0.106729267 0.036462789 0.064661704 0.029240681 0.00066915 0.038745211 0.006663313 0.046956069 0.020944318 0.277484596 0.014169207 0.0267125 0.277638822 0.014432624 0.040081647 0.054008954 0.031530164 0.026268695 0.017761123 0.761451542 0.030769791 0.05833814 0.012585127 0.038921568 0.069286619 0.031514381 0.062742257 0.029540556 0.017703991 0.017593688 0.021721363 0.117120548 0.047279315 0.025278723 0.090832488 0.036285824 0.004675043 0.009408894 0.071147535 0.012771519 0.074721369 0.033082903 0.040404541 0.024861399 0.143788976 0.607586637 0.02325637 0.020802455 0.056174609 0.041020448 0.009594097 0.020110539 0.029711526 0.047673664 0.01438418 0.229032065 0.023420945 0.007876092 0.141080129 0.038566568 0.030675229 0.008264875 0.027089691 0.027743904 0.102523177 0.011853287 0.027558016 0.003061301 0.044402991 0.152618374 0.011925149 0.008468925 0.021032941 0.283632951 0.028847635 0.040614221 0.03160055 0.004800236 0.006932768 0.5197121 0.056762016 0.298740747 0.050444997 0.056542024 0.003010285 0.023522222 0.174975117 0.007927084 0.029673023 0.019890792 0.076355571 0.009311713 0.131351411 0.012073289 0.053483258 0.127528013 0.024089095 0.034700703 0.22600378 0.016926587 0.030996038 0.023763528 0.048131532 0.062236732 0.07380204 0.019569216 0.025797925 0.02073067 0.024034098 0.093654275 0.042871699 0.512888789 0.098226175 0.010116128 0.050016946 0.034358607 0.010576386 0.010072149 0.008674417 0.029779909 0.005022633 0.050611439 0.015553101 0.01046504 0.021798889 0.048658993 PE(34:1) 1.640160799 0.761809097 4.698369998 0.537104 0.702621702 3.798161599 3.628114501 1.829003098 5.247738902 0.144616401 0.837036403 0.600758001 3.170027698 10.3495042 1.964235801 4.847261201 0.781369798 1.838481102 3.822347899 3.449768298 2.3773792 1.484268003 1.173117799 0.590309102 2.470091402 0.223908899 4.502112701 3.074634399 2.2615247 2.764482 1.050789401 1.784683098 1.030713998 0.437674222 5.651784261 3.411146608 1.664439255 5.524878908 0.498522697 0.820154947 1.404476858 0.112533798 0.384070729 1.688691563 0.481938669 1.083030441 1.480200205 1.946991594 1.400333578 4.235863285 2.04119648 8.032213391 13.59660671 2.054529121 1.017563804 4.300625981 0.576751704 2.95301783 0.643718318 3.753300727 2.17535929 2.609538644 1.345743323 4.566695417 4.636385249 2.098848765 1.361156997 1.224918192 3.094616972 42.37215286 0.40066274 0.236611284 0.141013153 4.186302789 7.44269695 1.135740682 12.32723742 1.205903658 3.835845697 1.06657388 1.021193568 0.610360789 0.501119656 3.071095443 0.880992783 5.399372891 1.043470261 0.611988439 1.307975086 1.426950405 5.162295175 0.882915835 0.340923923 1.43120335 11.19588264 6.410542496 6.298611068 0.876089368 1.799874264 1.086012881 6.27863178 1.924610816 2.953191676 9.855992277 1.328549214 1.71434048 0.975544114 21.72989337 6.183797011 1.180067641 1.554381288 3.173089351 6.352660622 3.094713364 2.404881247 5.710081516 3.44802957 3.371568691 7.783527121 1.388350331 0.618440102 3.842193346 1.805049465 1.877369101 0.930451298 0.2282568 5.266944144 2.473944258 0.631009804 39.55510268 2.082598177 SM(d18:1/23:0) 0.03269198 0.0107529 3.39E-05 0.03303628 0.001000646 0.0020438 0.001442155 0.005817342 0.000205639 0.000366907 0.000840262 0.004028593 0.003460477 0.000429344 0.000951537 0.01172673 0.002443299 0.001026539 0.001528056 0.001966669 0.000504515 0.001203472 0.001310839 0.000799797 0.02286121 0.001513126 0.005985873 0.005328105 0.008567838 0.000288977 0.000743646 0.006827534 0.003201058 0.000541555 0.000716214 0.002631522 0.002852884 0.002171407 0.000431936 0.002369246 0.000703068 0.000811704 0.00069287 0.002320755 0.001306211 0.005087331 0.003579356 0.000636713 0.00171694 0.022196169 0.001024853 0.002046451 0.027447838 0.0015663 0.001816124 0.00027227 0.000391545 0.002786935 0.000258557 0.000610664 0.000787768 0.000547739 0.001174235 0.00379676 0.002145572 0.002005147 0.00028596 0.003940176 0.010115177 0.001626317 0.000196374 0.000105424 0.000738649 0.001036498 0.004034658 0.001908518 0.001000742 0.002024708 0.000128154 0.001928572 0.005200845 0.004707723 0.001297745 0.000296909 0.000491736 0.000971198 0.000392517 0.003187115 0.00264471 0.000954579 0.000386285 0.016714536 0.002991724 0.000362149 0.00037927 0.003406902 0.000478735 0.000330714 0.001629406 0.001181739 0.002182496 0.001533627 0.000503653 0.004291256 0.002136415 0.000669355 0.000389448 0.0096703 0.016717959 0.000975766 0.001142902 0.000288504 0.002548971 0.001222709 0.002383051 0.003617115 0.001937349 0.003657205 0.000311335 0.000456606 0.000530818 0.003310192 8.52E-05 0.013114678 0.001909648 0.001697575 0.007062109 0.006623925 0.00051466 0.004919995 0.000444805 SM(42:3) 0.005901788 0.00218116 0.003330258 0.009221266 0.000504166 0.002059422 0.001800035 0.01238535 0.002410758 6.09E-05 0.003127421 0.001110156 0.002091894 0.002223072 0.005243383 0.006937724 0.001982128 0.005448037 0.0010003 0.000417792 0.001558426 0.00222732 0.002355772 0.001588 0.003405913 0.001014139 0.01071227 0.003368508 0.008439817 0.00110153 0.000459254 0.009867876 0.003283406 0.000326448 0.001776478 0.00131401 0.000691965 0.00159702 0.000200886 0.000953511 0.000367838 0.0002451 0.000298102 0.000623665 0.000910977 0.004002555 0.001135076 0.001706659 0.001336862 0.000961972 0.001157843 0.001556754 0.005915011 0.000742612 0.001259278 0.000673135 0.000334544 0.000716018 0.00087497 0.001746389 0.000538068 0.000585318 0.00059243 0.002245027 0.001703726 0.001869892 0.000149291 0.001205211 0.002767767 0.000429868 9.19E-05 0.001083326 0.000405141 0.000692464 0.001929189 0.000558691 0.001006697 0.000346367 0.00048447 0.001469704 0.000968399 0.003636118 0.000573411 0.000233399 4.87E-13 0.000666849 0.003649696 0.001021425 0.002169113 0.000414423 0.000189333 0.001299783 0.000314801 0.000238779 0.001838596 0.001879442 0.000477046 0.000767707 9.15E-05 0.001095997 0.00296724 0.000889055 0.000806353 0.001782722 0.002857072 0.000491647 0.001010374 0.003704661 0.007483308 0.000349493 0.001247686 0.001253656 0.000730843 0.00059244 0.001511195 0.002615011 0.002291854 0.001750462 0.001009642 0.000768799 0.000155073 0.001613185 0.00107205 0.003457984 0.002260516 0.000610883 0.002375443 0.001945859 0.001085242 0.001351935 0.001841275 TG(54:1) 0.16020695 0.10211125 0.01785277 0.06498572 0.02204867 0.23929805 0.27072866 0.23948123 8.14282829 0.166448 0.04828882 0.034146479 0.65716843 0.13109271 0.057940891 0.63345724 0.08116701 0.03674948 0.05838416 1.69851028 0.6791145 0.09272543 0.1035931 0.15644591 0.23213702 0.01663462 0.05272754 0.077283 0.19688722 0.12240967 0.06126348 0.15600647 0.06705904 0.075196808 0.146143257 0.051360445 0.244815149 0.382035432 0.128675661 1.344732573 2.540032302 0.009541893 0.083656504 0.117936069 0.041068693 0.050036943 0.032167122 0.101844701 0.090763714 0.273553595 0.338966717 0.051728917 0.111930763 0.048439961 0.842936147 0.299961448 0.036353715 0.068249417 0.275391394 0.116958211 0.045349126 0.102940942 0.104560788 2.597742339 0.086859107 0.495948586 0.104435093 0.146998978 3.878405096 1.851058083 0.01747903 0.029691681 0.33985172 0.07046586 0.056840459 0.117419787 0.263501147 0.208030918 0.178948425 0.30447281 0.379898704 0.182030859 0.029072918 0.126872222 0.115681842 0.088591306 1.631488331 0.117543435 0.08020247 0.203427559 6.590549563 0.383452476 0.012148104 0.060759284 0.519225039 0.152453485 0.292134013 0.084361942 0.052828673 0.039577267 0.667818397 0.255704886 0.058110821 1.308758169 0.042123615 0.089027006 0.095277601 0.11213614 0.051589175 0.06949541 0.064903635 0.026636443 0.109320111 0.133430245 0.137015652 1.466719177 0.174744426 0.370522767 0.11488222 0.087208041 0.113484088 0.057303148 0.092696815 0.342467116 0.075577222 0.050270076 0.089262977 0.468562584 0.176500645 0.179588331 2.354989928 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name KEGG PubChem ID HMDB ChoE (16:0) C11251 246520 HMDB0000885 ChoE (18:1) C14641 5283632 HMDB00918 ChoE (18:2) C15441 5287939 HMDB00610 ChoE (18:3) C02530 6436907 HMDB10370 ChoE (20:2) C02530 176725 HMDB0062455 ChoE (20:4) C02530 6479222 HMDB06726 ChoE (20:5) C02530 10372299 HMDB06731 ChoE (22:4) C02530 16061341 HMDB06729 ChoE (22:5) C02530 42608400 HMDB0062457 ChoE (22:6) C02530 14274978 HMDB06733 PE(34:1) C00350 - - SM(d18:1/23:0) C00550 46891684 HMDB0012105 SM(42:3) C00550 - - TG(54:1) - - - METABOLITES_END #END