#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