#METABOLOMICS WORKBENCH lafrano_20211013_133024 DATATRACK_ID:2886 STUDY_ID:ST001948 ANALYSIS_ID:AN003172 PROJECT_ID:PR001235
VERSION             	1
CREATED_ON             	October 13, 2021, 8:49 pm
#PROJECT
PR:PROJECT_TITLE                 	Metabolites Associated with Gestational Diabetes in Plasma
PR:PROJECT_SUMMARY               	Gestational diabetes mellitus (GDM) significantly increases maternal and fetal
PR:PROJECT_SUMMARY               	health risks, but factors predictive of GDM are poorly understood. Plasma
PR:PROJECT_SUMMARY               	metabolomics analyses were conducted in early pregnancy to identify potential
PR:PROJECT_SUMMARY               	biomarkers for early prediction of Gestational Diabetes Mellitus (GDM).
PR:PROJECT_SUMMARY               	Sixty-eight pregnant women with overweight/obesity from a clinical trial of a
PR:PROJECT_SUMMARY               	lifestyle intervention were included. Participants who developed GDM (n=34; GDM
PR:PROJECT_SUMMARY               	group) were matched on treatment group, age, body mass index, and ethnicity with
PR:PROJECT_SUMMARY               	those who did not develop GDM (n=34; Non-GDM group). Blood draws were completed
PR:PROJECT_SUMMARY               	early in pregnancy (10-16 weeks). Plasma samples were analyzed by UPLC-MS using
PR:PROJECT_SUMMARY               	three metabolomics assays.
PR:INSTITUTE                     	Cal Poly St. Univ., San Luis Obispo
PR:DEPARTMENT                    	Food Science and Nutrition
PR:LABORATORY                    	Cal Poly Metabolomics Service Center
PR:LAST_NAME                     	La Frano
PR:FIRST_NAME                    	Michael
PR:ADDRESS                       	CALIFORNIA POLYTECHNIC STATE UNIVERSITY, 1 GRAND AVE, SAN LUIS OBISPO, CA,
PR:ADDRESS                       	93407, USA
PR:EMAIL                         	mlafrano@calpoly.edu
PR:PHONE                         	7143602022
PR:FUNDING_SOURCE                	NHLBI; HL114377, California State University Agricultural Research Institute
PR:FUNDING_SOURCE                	18-03-011,
#STUDY
ST:STUDY_TITLE                   	Metabolites Associated with Gestational Diabetes in Plasma
ST:STUDY_TYPE                    	Case:Control ancillary analysis of RCT
ST:STUDY_SUMMARY                 	"Gestational diabetes mellitus (GDM) significantly increases maternal and fetal
ST:STUDY_SUMMARY                 	health risks, but factors predictive of GDM are poorly understood. Plasma
ST:STUDY_SUMMARY                 	metabolomics analyses were conducted in early pregnancy to identify potential
ST:STUDY_SUMMARY                 	biomarkers for early prediction of Gestational Diabetes Mellitus (GDM).
ST:STUDY_SUMMARY                 	Sixty-eight pregnant women with overweight/obesity from a clinical trial of a
ST:STUDY_SUMMARY                 	lifestyle intervention were included. Participants who developed GDM (n=34; GDM
ST:STUDY_SUMMARY                 	group) were matched on treatment group, age, body mass index, and ethnicity with
ST:STUDY_SUMMARY                 	those who did not develop GDM (n=34; Non-GDM group). Blood draws were completed
ST:STUDY_SUMMARY                 	early in pregnancy (10-16 weeks). Plasma samples were analyzed by UPLC-MS using
ST:STUDY_SUMMARY                 	three metabolomics assays. "
ST:INSTITUTE                     	California Polytechnic State University
ST:DEPARTMENT                    	Food Science and Nutrition
ST:LABORATORY                    	Cal Poly Metabolomics Service Center
ST:LAST_NAME                     	La Frano
ST:FIRST_NAME                    	Michael
ST:ADDRESS                       	CALIFORNIA POLYTECHNIC STATE UNIVERSITY, 1 GRAND AVE
ST:EMAIL                         	mlafrano@calpoly.edu
ST:PHONE                         	18057566233
ST:NUM_GROUPS                    	2
ST:TOTAL_SUBJECTS                	68
ST:NUM_FEMALES                   	68
#SUBJECT
SU:SUBJECT_TYPE                  	Human
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
SU:GENDER                        	Female
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data
SUBJECT_SAMPLE_FACTORS           	10019	B66	Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1	RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 66; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 66; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 66
SUBJECT_SAMPLE_FACTORS           	10026	B29	Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1	RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 29; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 29; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 29
SUBJECT_SAMPLE_FACTORS           	10035	B51	Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2	RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 51; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 51; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 51
SUBJECT_SAMPLE_FACTORS           	10042	B65	Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1	RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 65; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 65; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 65
SUBJECT_SAMPLE_FACTORS           	10074	B25-REPAVG	Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2	RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 25 -REPAVG; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 25 -REPAVG; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 25 -REPAVG
SUBJECT_SAMPLE_FACTORS           	10116	B36	Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2	RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 36; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 36; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 36
SUBJECT_SAMPLE_FACTORS           	10137	B73	Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2	RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 73; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 73; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 73
SUBJECT_SAMPLE_FACTORS           	10163	B40-REPAVG	Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2	RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 40 -REPAVG; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 40 -REPAVG; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 40 -REPAVG
SUBJECT_SAMPLE_FACTORS           	10171	B26	Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1	RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 26; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 26; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 26
SUBJECT_SAMPLE_FACTORS           	10214	B60	Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1	RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 60; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 60; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 60
SUBJECT_SAMPLE_FACTORS           	10279	B44	Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2	RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 44; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 44; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 44
SUBJECT_SAMPLE_FACTORS           	10280	B54	Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1	RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 54; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 54; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 54
SUBJECT_SAMPLE_FACTORS           	10298	B69	Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2	RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 69; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 69; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 69
SUBJECT_SAMPLE_FACTORS           	10312	B74	Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1	RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 74; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 74; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 74
SUBJECT_SAMPLE_FACTORS           	10383	B12-REPAVG	Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1	RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 12 -REPAVG; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 12 -REPAVG; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 12 -REPAVG
SUBJECT_SAMPLE_FACTORS           	10396	B13	Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1	RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 13; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 13; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 13
SUBJECT_SAMPLE_FACTORS           	10429	B5	Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2	RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 5; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 5; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 5
SUBJECT_SAMPLE_FACTORS           	10438	B56	Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2	RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 56; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 56; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 56
SUBJECT_SAMPLE_FACTORS           	10440	B42	Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1	RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 42; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 42; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 42
SUBJECT_SAMPLE_FACTORS           	10493	B50	Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1	RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 50; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 50; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 50
SUBJECT_SAMPLE_FACTORS           	10543	B45	Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2	RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 45; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 45; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 45
SUBJECT_SAMPLE_FACTORS           	10589	B70	Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1	RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 70; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 70; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 70
SUBJECT_SAMPLE_FACTORS           	10625	B67	Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2	RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 67; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 67; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 67
SUBJECT_SAMPLE_FACTORS           	10656	B8	Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1	RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 8; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 8; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 8
SUBJECT_SAMPLE_FACTORS           	10706	B2	Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1	RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 2; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 2; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 2
SUBJECT_SAMPLE_FACTORS           	10747	B24	Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1	RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 24; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 24; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 24
SUBJECT_SAMPLE_FACTORS           	10768	B41	Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2	RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 41; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 41; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 41
SUBJECT_SAMPLE_FACTORS           	10799	B53	Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2	RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 53; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 53; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 53
SUBJECT_SAMPLE_FACTORS           	10845	B55	Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2	RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 55; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 55; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 55
SUBJECT_SAMPLE_FACTORS           	10866	B62	Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2	RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 62; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 62; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 62
SUBJECT_SAMPLE_FACTORS           	10878	B39	Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1	RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 39; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 39; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 39
SUBJECT_SAMPLE_FACTORS           	10976	B23	Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2	RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 23; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 23; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 23
SUBJECT_SAMPLE_FACTORS           	10982	B47	Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2	RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 47; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 47; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 47
SUBJECT_SAMPLE_FACTORS           	11027	B21	Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1	RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 21; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 21; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 21
SUBJECT_SAMPLE_FACTORS           	11062	B16	Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2	RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 16; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 16; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 16
SUBJECT_SAMPLE_FACTORS           	11070	B4	Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1	RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 4; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 4; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 4
SUBJECT_SAMPLE_FACTORS           	11089	B57	Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1	RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 57; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 57; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 57
SUBJECT_SAMPLE_FACTORS           	11101	B34	Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2	RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 34; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 34; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 34
SUBJECT_SAMPLE_FACTORS           	11193	B7	Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2	RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 7; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 7; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 7
SUBJECT_SAMPLE_FACTORS           	11210	B49	Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2	RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 49; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 49; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 49
SUBJECT_SAMPLE_FACTORS           	11275	B33	Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1	RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 33; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 33; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 33
SUBJECT_SAMPLE_FACTORS           	11321	B18	Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2	RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 18; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 18; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 18
SUBJECT_SAMPLE_FACTORS           	80022	C41	Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2	RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS CP 41; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS CP 42; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS CP 43
SUBJECT_SAMPLE_FACTORS           	80080	C1-REPAVG	Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2	RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS CP 1 -REPAVG; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS CP 1 -REPAVG; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS CP 1 -REPAVG
SUBJECT_SAMPLE_FACTORS           	80098	C10	Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2	RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS CP 10; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS CP 10; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS CP 10
SUBJECT_SAMPLE_FACTORS           	80149	C19	Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2	RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS CP 19; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS CP 19; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS CP 19
SUBJECT_SAMPLE_FACTORS           	80165	C28	Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1	RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS CP 28; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS CP 28; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS CP 28
SUBJECT_SAMPLE_FACTORS           	80183	C29	Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1	RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS CP 29; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS CP 29; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS CP 29
SUBJECT_SAMPLE_FACTORS           	80203	C2	Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2	RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS CP 2; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS CP 2; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS CP 2
SUBJECT_SAMPLE_FACTORS           	80219	C4	Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1	RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS CP 4; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS CP 4; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS CP 4
SUBJECT_SAMPLE_FACTORS           	80242	C12	Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1	RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS CP 12; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS CP 12; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS CP 12
SUBJECT_SAMPLE_FACTORS           	80288	C24	Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2	RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS CP 24; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS CP 24; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS CP 24
SUBJECT_SAMPLE_FACTORS           	80337	C20	Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1	RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS CP 20; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS CP 20; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS CP 20
SUBJECT_SAMPLE_FACTORS           	80359	C13	Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1	RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS CP 13; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS CP 13; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS CP 13
SUBJECT_SAMPLE_FACTORS           	80513	C5	Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2	RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS CP 5; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS CP 5; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS CP 5
SUBJECT_SAMPLE_FACTORS           	80521	C39	Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1	RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS CP 39; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS CP 39; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS CP 39
SUBJECT_SAMPLE_FACTORS           	80566	C21	Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1	RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS CP 21; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS CP 21; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS CP 21
SUBJECT_SAMPLE_FACTORS           	80597	C11	Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1	RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS CP 11; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS CP 11; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS CP 11
SUBJECT_SAMPLE_FACTORS           	80634	C17	Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1	RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS CP 17; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS CP 17; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS CP 17
SUBJECT_SAMPLE_FACTORS           	80652	C18	Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1	RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS CP 18; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS CP 18; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS CP 18
SUBJECT_SAMPLE_FACTORS           	80815	C32	Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2	RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS CP 32; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS CP 32; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS CP 32
SUBJECT_SAMPLE_FACTORS           	80870	C31	Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1	RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS CP 31; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS CP 31; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS CP 31
SUBJECT_SAMPLE_FACTORS           	80891	C43	Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2	RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS CP 43; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS CP 43; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS CP 43
SUBJECT_SAMPLE_FACTORS           	80986	C35	Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2	RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS CP 35; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS CP 35; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS CP 35
SUBJECT_SAMPLE_FACTORS           	81111	C23-REP AVG	Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2	RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS CP 23 -REP AVG; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS CP 23 -REP AVG; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS CP 23 -REP AVG
SUBJECT_SAMPLE_FACTORS           	81124	C14	Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2	RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS CP 14; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS CP 14; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS CP 14
SUBJECT_SAMPLE_FACTORS           	81218	C40	Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1	RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS CP 40; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS CP 40; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS CP 40
SUBJECT_SAMPLE_FACTORS           	81315	C30	Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1	RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS CP 30; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS CP 30; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS CP 30
#COLLECTION
CO:COLLECTION_SUMMARY            	Blood samples (plasma) were collected from participants with GDM and non-GDM
CO:COLLECTION_SUMMARY            	affected pregnancies during 10-16 weeks gestation (GDM for GDM cases and Non-GDM
CO:COLLECTION_SUMMARY            	for control cases).
CO:COLLECTION_PROTOCOL_FILENAME  	La_Frano_Treatment_Protocol_v1.pdf
CO:SAMPLE_TYPE                   	Blood (plasma)
#TREATMENT
TR:TREATMENT_SUMMARY             	"This was a secondary analysis using samples from the Healthy
TR:TREATMENT_SUMMARY             	Beginnings/Comienzos Saludables Study, a randomized clinical trial (RCT) that is
TR:TREATMENT_SUMMARY             	part of the Lifestyle Interventions for Expectant Moms (LIFE-Moms) Consortium
TR:TREATMENT_SUMMARY             	(Phelan et al., 2018). This RCT focused on the outcomes of behavior lifestyle
TR:TREATMENT_SUMMARY             	change on weight gain during gestation. Samples were acquired from two study
TR:TREATMENT_SUMMARY             	sites: California Polytechnic State University, San Luis Obispo, California and
TR:TREATMENT_SUMMARY             	Miriam Hospital with Women and Infants Hospital in Providence, Rhode Island.
TR:TREATMENT_SUMMARY             	This trial was registered as NCT01545934. Eligibility consisted of being 9-16
TR:TREATMENT_SUMMARY             	weeks gestational age, BMI (in kg/m2) ≥ 25 upon study entry height and weight,
TR:TREATMENT_SUMMARY             	English or Spanish speaking, age ≥ 18 years old, and singleton pregnancy.
TR:TREATMENT_SUMMARY             	Participants were excluded if glycated hemoglobin ≥ 6.5, reported major health
TR:TREATMENT_SUMMARY             	diseases, substance abuse, undergoing treatment for serious psychological
TR:TREATMENT_SUMMARY             	disorders, had contradictions to aerobic exercise, or who had repeated no-shows
TR:TREATMENT_SUMMARY             	or loss of contact during screening. Participants were randomly assigned to two
TR:TREATMENT_SUMMARY             	different intervention methods. Group one received enhanced usual care, which
TR:TREATMENT_SUMMARY             	represented the control group. Group two had a multi-component lifestyle
TR:TREATMENT_SUMMARY             	intervention, which included diet, exercise, and behavioral change. Data was
TR:TREATMENT_SUMMARY             	collected throughout pregnancy, including blood samples, diet assessment, and
TR:TREATMENT_SUMMARY             	clinic measured GDM diagnosis. Blood samples were taken between gestational
TR:TREATMENT_SUMMARY             	weeks 10-16. Since the multi-component lifestyle intervention showed no
TR:TREATMENT_SUMMARY             	statistically significant effect on GDM occurrence (p=0.7) (Phelan et al.,
TR:TREATMENT_SUMMARY             	2018), the samples used for this secondary analysis are from both the control
TR:TREATMENT_SUMMARY             	and treatment groups. There were a total of 34 GDM cases that were collected
TR:TREATMENT_SUMMARY             	from the California (n=13) and Rhode Island (n=21) study sites. Samples for 34
TR:TREATMENT_SUMMARY             	GDM cases were matched to 34 healthy controls prior to metabolomics analysis
TR:TREATMENT_SUMMARY             	based on age, study entry body mass index (BMI), ethnicity, study site, and
TR:TREATMENT_SUMMARY             	treatment. The two groups did not differ in weight gain from entry to 26 weeks."
TR:TREATMENT_PROTOCOL_FILENAME   	La Frano Treatment Protocol v1
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	1. 25 µL of plasma were added to 1.5 mL tubes before the addition of 10 µL of
SP:SAMPLEPREP_SUMMARY            	1 µM internal standard solution, followed by 750 µL chilled methanol. 2.
SP:SAMPLEPREP_SUMMARY            	Samples were vortexed 30 seconds prior to being centrifuged at 15,000 x G for 10
SP:SAMPLEPREP_SUMMARY            	min. 3. The supernatant was transferred to 1.5 mL high performance liquid
SP:SAMPLEPREP_SUMMARY            	chromatography (HPLC) amber glass vials, dried by centrifugal vacuum
SP:SAMPLEPREP_SUMMARY            	evaporation, and reconstituted in 100 µL 3:1 acetonitrile:methanol solution
SP:SAMPLEPREP_SUMMARY            	with an internal standard [12-[(cyclohexylamino) carbonyl]amino]-dodecanoic acid
SP:SAMPLEPREP_SUMMARY            	(CUDA)] solution. 4.The reconstituted solution was vortexed 30 seconds and
SP:SAMPLEPREP_SUMMARY            	placed on ice for 10 minutes. 5. The solution was then centrifuged at 10,000 x G
SP:SAMPLEPREP_SUMMARY            	for 3 minutes after being transferred to microfilter tubes. 6. The supernatant
SP:SAMPLEPREP_SUMMARY            	was transferred to a HPLC vial to be analyzed using the UPLC-MS.
SP:SAMPLEPREP_PROTOCOL_FILENAME  	La_Frano_Lab_Methods_Doc_v8.pdf
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Waters Acquity I-Class
CH:COLUMN_NAME                   	Grace Prosphere HP C4 (150 x 3mm, 3um)
CH:METHODS_FILENAME              	La_Frano_Lab_Methods_Doc_v8.pdf
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:ANALYSIS_PROTOCOL_FILE        	La_Frano_Lab_Methods_Doc_v8.pdf
AN:ACQUISITION_PARAMETERS_FILE   	La_Frano_Lab_Methods_Doc_v8.pdf
AN:PROCESSING_PARAMETERS_FILE    	La_Frano_Lab_Methods_Doc_v8.pdf
#MS
MS:INSTRUMENT_NAME               	ABI Sciex 4000 QTrap
MS:INSTRUMENT_TYPE               	QTRAP
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	Please see lab methods file.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	Peak Area
MS_METABOLITE_DATA_START
Samples	B66	B29	B51	B65	B25-REPAVG	B36	B73	B40-REPAVG	B26	B60	B44	B54	B69	B74	B12-REPAVG	B13	B5	B56	B42	B50	B45	B70	B67	B8	B2	B24	B41	B53	B55	B62	B39	B23	B47	B21	B16	B4	B57	B34	B7	B49	B33	B18	C41	C1-REPAVG	C10	C19	C28	C29	C2	C4	C12	C24	C20	C13	C5	C39	C21	C11	C17	C18	C32	C31	C43	C35	C23-REP AVG	C14	C40	C30
Factors	Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1	Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1	Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2	Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1	Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2	Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2	Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2	Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2	Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1	Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1	Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2	Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1	Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2	Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1	Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1	Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1	Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2	Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2	Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1	Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1	Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2	Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1	Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2	Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1	Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1	Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1	Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2	Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2	Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2	Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2	Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1	Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2	Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2	Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1	Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2	Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1	Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1	Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2	Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2	Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2	Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1	Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2	Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2	Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2	Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2	Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2	Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1	Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1	Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2	Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1	Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1	Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2	Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1	Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1	Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2	Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1	Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1	Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1	Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1	Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1	Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2	Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1	Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2	Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2	Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2	Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2	Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1	Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1
PC 34:4	110370675.4	94531317.05	72079358.16	85577207.91	147889240.5	101479055.2	74472547.77	119461290.2	125482701.8	90663236.73	72018736.98	103664558.6	84084447.12	84861284.97	121360861.8	130109562.8	88557917.59	101994577.2	114122583.2	88698634.62	82763117.43	73269985.93	121811992.7	144965419.4	123015578.7	132010448	89764492.98	78060217.05	78822845.76	99488551.62	40660046.97	136329121.2	87059857.48	116041678.1	119338945.2	127082471.9	101556288.9	149622022.8	106719266.7	72792702.75	101332540.8	102617442.9	117233214	164010624.4	104774911	91590039.6	124116804	103227973.6	89230695.56	127486773	99893831.96	141380007.9	132583188.6	86549224.72	126627882.4	130553822.4	137995006.9	79435464.29	96142839.72	84540401.29	100990418.1	112969601.7	72712966.38	43676424.1	136949194.7	95135988.86	90889218.09	66170265.89
PC 34:3	303781722.1	287841737	247746272.2	279854786.7	366059623.5	331172802.3	294640455.7	338287656.5	352390690.7	269083075	228407376.2	285619083.6	293101307.2	288548261.4	311835172.5	321237911	285031842.1	281170537.4	311387496	252115899.8	270172276.6	273098757.4	332876476.2	359198966.4	318495311.5	350650571	230883858.4	262938189.8	291772838.3	266794802.4	156726919.7	346297820.9	230852915.6	318870461.7	313281752	351365120.4	291223014.6	338119776	309717579.1	218249046.7	375400733.7	320935472.8	350011287.1	357838329.1	276449259.9	314061732.7	345039558.4	321392702.7	284011605.3	293540387.8	294609412.5	363406429.1	309319695.1	330204765.9	321049324.3	322613736.8	349412906.6	292565095.8	221029999	277575253.4	338516518.3	370836126	275276071.7	191321162.7	342328794.1	334066478.4	297739576.1	283139962.8
PC 36:3	917152955.6	906852341.6	837407879.9	868668518.8	981655867.4	961923953.8	866553168	995134959.7	919369007.7	764451211.7	717981819.1	831139348.6	1038467328	833930089.2	1093029107	949688924.9	852772341	813166790.5	785123348.1	783097053.2	811060627	776932678.5	971832284.1	1014823605	889453458.9	1011103945	803742047.3	792252301.9	657038361.8	734713270.4	521325925.6	952007203.4	688236641.3	879513468.9	875822719.8	892571548.6	883270041.9	942826489.2	900038980.3	787707080.1	912506605.7	875759298.7	952975042.1	936517618.6	854564672.6	941237926.3	920011432.9	914810221	856995854.9	788758318.3	860425914.1	898523602.2	914742281.6	819286676.4	896437473.4	955478121.9	932232079.4	844300935.4	918737449.9	837111685.3	953946300.4	941249401.3	890637147	998331840.6	951624953.7	915182230.6	944979961.9	865998135
PC 38:6	367149798.8	310008973.5	301994867.3	336942735.3	388194105.3	419829747.5	346494721.4	397715970.8	503351781.9	339511635.1	337145872.7	286010276.8	439832959.6	250118470.3	470702861	417608152.9	409947305.1	296380252.5	314965672.4	273698771.3	303005002.2	256529982.2	393999394.9	397928445.8	409612649.1	430995283.8	434640489.7	242121804.7	224200769.6	265457751.1	325512839	414886445.8	301142158.4	401994717.5	390054192	402583968.7	276103108.6	331334968.1	424818390.4	370576633.9	360349851.8	346994804.7	434331000.6	372484532.7	365576261.7	352341751.2	383717003.7	344908543.5	337960356.7	406437826.6	353836758.6	342590409.2	400372779.7	213004171.8	318987218.8	326998962.7	367806255.1	317283476.6	481594705.2	364564519.9	375746913.4	342471524.3	324742095	322507551.6	394969606.8	361037442.6	415752852.1	238475401.7
LPC 16:0	877602048.3	775164276.1	835098083.4	747400943.7	896176701.3	964135691.4	712267327.5	836006005.6	774137175	690750153	539370638.8	682131597.4	869689326.8	696421675.5	1014552848	838035066.8	861566073.4	803010461.5	712475245.3	811188707.5	726480566.7	875389227.5	905438744.7	850103839.5	921422091.1	911133745	763204007.9	845061427.4	776858904.4	760559264.2	1378650607	879890807.1	665560786.2	924024877.5	898491013.3	824336470.9	767070848.5	847244527.3	776617215.4	708626494.3	890284161.2	857806664.9	862833549.2	862137789.6	729627804.6	833518372	744380919.9	858383451.3	766446837	812897523.3	731402124.8	811326960.3	839588955.7	794257690	814194131.9	795320363	877484398.8	723805075.7	1019449422	779389668.2	951152440.7	776065361.8	814138523.8	814163832.2	946231574	750415598.4	893235634.4	756069265.8
LPC 18:2	610790962.7	754542764.8	626675043.8	617975337.8	713471800.8	747089465.1	632072815.3	682116695.8	571310658.5	587222199.5	380749058.6	537523102.2	767626589.2	588650700.4	820195404.6	691146675.1	759601801	681384636.8	641845579.2	677120444.5	580045181.4	911528390.2	702353828	606846040	686946586.9	735791574.8	600923894.1	707950782.6	633171062.7	661219499.9	1208955545	829926441.8	543628719.6	717150805.5	824150794.6	731732351.9	597384708.3	705547635.9	735420184	570116676.8	841099223.9	748416193.3	782902957.6	674284185.4	600100206.1	748292371.6	607877585.2	603189847.3	605913130.4	658445675.3	554465917.9	624705917	679206217.1	704095831.4	693241128.5	741887840.7	708140064.1	670450656	749756368.8	575879053.5	695103565.2	689658276.3	708404660.2	662870284.7	788149734.2	603247609	683672730.6	603480563.1
LPC 20:4	34226364	32993905.56	21913608.28	36534448.45	33930568.74	42880547.9	27669064.65	41385977.18	18269032.37	36280947.58	27312863.37	33277441.95	33294473.2	24858466.07	57844260.04	51771648.87	59377635.15	38148988.16	36777037.91	46735721.48	36916851.5	38396598.17	45096641.38	43853165.76	43977560.64	41164514.22	43730485.79	29206227.72	23280432.62	41165163.79	34092324.44	49883634.85	31662944.09	35100615.55	33783808.61	41300946.72	34145957.08	41478333.44	47035546.64	45725014.72	32811519.64	41608431.37	33808439.98	44717684.65	28065360.85	68008402.74	31019410.79	53825034.44	27134916.63	49590345.53	27652751.36	34874707.78	40907671.66	20837026.21	33556424.28	44920417.47	38219730.6	44680869.8	47208088.57	35077631.25	30776365.04	36276692.04	26157680.28	47103681.49	36765400.88	23501643.68	22463512.91	21359393.16
LPE 22:6	416430787.1	413305874	407953750	259184406.4	360632493.3	466892072.4	270082934	364232126.8	310773130.9	275741521.1	203692630.8	323264695.3	255964364.7	205424511.7	557924239.1	372010742.2	440897423.9	468572147.6	347493031.7	300492966.8	292080517.4	352396341.6	410978486.4	401996271.7	447084060.9	464139868.3	382354386.3	378583538.1	327587199.8	354391201.3	786927597.7	417393774.8	354128340.3	483387060.2	554480699.6	380703193.4	328008640	422797143.2	386847324.4	292954241.2	384573806.5	430062162.4	483211375.4	386530611	328042833.1	413488148.9	364400185.4	303794560.5	333587609.3	488569754.2	332735199.8	380933268.9	449720590.2	362061784.4	411587389.9	427114131.5	393097006	325119615.6	527699676.7	288836703.9	470641291.8	366701048.1	346100541.2	302953963.1	460826545.8	338054252.4	371196521.3	333024452.7
SM (d14:0)	215761063.2	174664234.7	257978362.4	250584805.2	192806270.4	226888137.1	238530486.1	234942530.1	230896183.5	246185341.7	237160421	218556495.9	301025405.9	242029330.1	226101069.9	209925197.4	214316055	219579180.7	193335802.3	252132102.2	223559534.2	265745587	262201504.8	226872756.5	232357147	226021874.3	232034450.9	219091106.7	227690031.4	223062976.5	82453562.12	199709157.8	217979029.5	206702672.8	217009761.7	179119574.4	215471163.7	241892836.9	198767330.9	228616265.8	210909165.3	231181787.7	216619354.7	217593854.5	205610844.4	225605102.9	234168103.5	261529726.6	190767236.8	214549798.7	220186846.8	216941892.7	235370542.8	203803822.3	221535572.6	206413233	231668856.8	244659223.7	194406790.7	241101110.5	210810741	228890356.8	240194768.1	214777775.7	196401648.4	226137292.7	233954595.5	219630765.5
SM (d15:0)	40745985.8	43327277.01	70915924	71159928.86	38409544.24	46163868.09	69371394.5	42742445.19	48513839.9	64934135.94	79949433.77	66136264.7	56043663.63	72304149.19	53061769.59	49114723.55	63865362.92	42685066.45	49643957.85	76529924.19	60441373.25	81763861.49	49882953.48	57802251.98	55790114.56	46859970.75	68117375.6	65339392.1	63784930.25	44187850.39	12847029.82	48936794.61	57860881.02	39256977.95	44473827.4	38745146.59	53599837.39	50233526.6	47706445	67110101.16	52664938.79	58121205.55	38511661.02	50159388.96	59329976.27	71941846.01	74718121.26	88631817.89	48876348.21	48963523.97	72121485	56916035.93	60064961.44	70681726.43	61516772.12	48468677.76	60056124.27	78370656.16	39270155.95	82111245.77	41413611.22	57485739.25	54100291.9	81127316.27	43086224.56	45914627.8	52067767.23	76824090.93
SM (d16:1)	287039883.7	272359063.3	316770798.7	309063268.2	244153901.2	273519710.6	267689394.8	303084103	228550531.9	239230289	280943221.2	240105520.1	382373375.9	294609380.5	281203926.9	268948405.6	284869689	210356474.5	252243808.9	275741221	242917355.3	276216994.5	318610357.4	235962550.4	256163580.9	257018331.7	234441618.3	257311996.5	242092601.5	213553962.9	92356450.56	251036624.4	231650739	264973870.1	239699618.5	240994137.7	229156499.8	262366814.1	260751487.3	222494865.7	266971058.2	284709028	262649712	218526989.1	272329236.3	287706567.4	277656207.3	293120275.4	240257627.2	207178758.4	268675966.8	251213536.1	261532392.4	280953310	248377992.1	281590325.3	262544261.6	292387683.7	239342983.9	298866270.8	249159609.9	260299402.2	281062373.7	341754608	265037274.3	270127918.7	271565106.6	298541276.9
SM (d18:0)	331592842.6	348549748.8	400066982	324041251.9	411930942.3	324049241.9	289521991.2	341145072.5	440172435.8	367742652.1	336475799.6	352307847.6	364301339.4	418106632.8	286718482.9	333907929.9	270413861.2	353895439.9	375854548.9	406711311.7	350421653.2	361696924	355502815	332070288	337164806.1	347710345.4	249552406.7	363561869.1	413422808.4	391051565.1	124273488.9	387077841.8	299542787.4	399401282.9	347535483.8	365838782.6	379573048.3	413547363.1	307291751.5	275758079.8	418651167.7	350842124	317248303.9	368268617.2	311660257.2	294809241.5	366580597.3	425219055.2	295186023.6	274985047	316084993.6	371878635.5	319832413.2	383136148.7	341320501.8	370726479.6	382252545.5	318426100.4	210769477.4	281924007.3	296703052.9	373476471.3	286591729.4	169091114.5	410572553.2	315181807.9	254787700.4	384506068.2
SM (d20:0)	1462080976	1643221631	1848413259	1648314751	1650972096	1642413835	1887071967	1758628917	1687503295	1487700023	1345393441	1485135586	2212069457	1803674811	1619262288	1482780339	1426671746	1451875146	1409018623	1337084665	1674636974	1808257308	1674427135	1486657632	1299951126	1589994410	1325185491	1646172827	1542078543	1480865131	1184791208	1598052130	1217688144	1518318231	1494494953	1534039686	1428431174	1683582850	1595667560	1274587560	1979430627	1534753612	1782065651	1357477278	1481061315	1513769043	1679616469	1653703054	1451673386	1162027849	1514192895	1430285195	1487313950	1472625764	1476858438	1581689655	1535751049	1628600458	1309167980	1471114220	1623582822	1773489268	1777748190	1892531573	1685570736	1585444546	1590063677	1962330162
SM (d22:1)	869790568.5	866894926.8	953455119.9	855808227	922103226.7	954645136.8	895705854.5	848652257.3	945989903.8	820113782.8	734381263.7	874913890.5	1007890908	855956869.7	916099542.8	880104339.3	754236709.9	813242514.4	769702988.1	824616920.5	814822979.9	840630839.4	922560415.1	941356178.1	878391153.8	921247476.6	787901092	904407225.5	774160901.6	808338042.1	538424630.4	821573384.9	696316351.8	860610719.5	776137405.3	925452371.2	903358521.1	878032891.6	853970862	764010896.1	926329878.1	823505538.1	943919768.8	926685290.4	887513441.7	930261035.5	947338807.4	936919913.5	795201261	756485982.3	880355307.4	903342451.3	833448917.1	963017915.6	901132524.2	913780749.9	975752639.9	888474193.3	760068806.9	900507345.1	980393954	1045489862	961279379.2	866512544.2	869766530.7	933035552.5	941139428.1	949069060.5
SM (d22:0)	1142479191	1356544689	1584208699	1376550595	1273508992	1201462150	1458540004	1181820083	1379294185	1290617970	1082357307	1190677658	1480667198	1330488099	1160697030	1122514690	1139024666	1143928078	1220358412	1147637430	1123242664	1417351921	1350840315	1246599966	1161444721	1181804099	1158199838	1218963331	1271070571	1178977647	391700382.8	1240095258	985748360.4	1255485494	1247999104	1195243055	1141470945	1299412732	1175560312	1083267585	1347386489	1218511453	1264781458	1133458397	1222105951	1202587083	1353670913	1225936800	1114530936	976809363.2	1329849705	1273611372	1264083850	1406215049	1185658495	1391303911	1317667861	1400133646	953833184.1	1189116093	1203293606	1410246644	1470739688	1253698803	1282697834	1344379450	1267783176	1502874148
SM (d24:1)	888024734.9	692680623	880198903.4	864400732.2	705015441.6	725985714.7	837119199	609129400	778395441.6	751000357.4	929561765	878260690.9	776416137.7	803579219	692095627	828528293.4	760078305.8	776418049.8	704446650	862323673.3	684551930.1	767085847.8	859303795.8	905963575.1	812615009.7	753372023.3	755634273.1	801089588.1	724428928.9	806536949.5	99158642.32	669020277.3	710014491.3	805373887.5	673416321	856759200.6	836298647.1	804226614.5	712522072.1	842932266.2	721942279.6	756948303.5	785975251.1	825397018.4	832994093.6	788369363.3	966426079.5	875982156.9	687104424.2	745160337.2	938109312.7	878240633.8	760217385.2	999622309.6	873640325.9	667449576.8	890234581.7	892389861.1	466589705	906156122.1	835865655.3	875005797.9	809114060.8	644598183.9	704384600.6	880939166.7	704917396.6	882338801.1
SM (d24:0)	368921011.8	210558075.9	401599490.4	384984222	245983838.9	208905617.7	389622679.4	169276097.8	280574727.8	370788613.8	542125537	445120759	236636356.9	390792278.8	214247058	319121588.7	325542062.1	309916090.5	296284160.6	448941000	307869430.7	416714576.8	299721267	390980943.2	299065374.4	250655109.6	329305786.1	326498902.9	435044622.3	420585985.1	23322038.7	228676203.8	347221605.6	294624699.9	217327105.2	288584573.5	320469942.2	303780105.6	274338271.6	461060020.6	249458952.9	257562253.7	234554415.7	348597262.8	399264069.3	279588908.8	397869378.6	412624215.6	268466491.5	278807007.3	418415552.4	327197107.5	274054892.4	484361045.1	392589319.3	234581059.8	379664368.4	390127372.9	104715220.3	433312757.9	230787152.4	318945108.5	445278869.3	249024082.1	253042948.8	413212375.9	283195106	387412621.7
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	PubChem CID	KEGG	Inchikey
PC 34:4	52922891		YWDDIWXKFJEMKF-JTZVLWBESA-N
PC 34:3	24778699		CNNSEHUKQJCGTE-UPPWDXJYSA-N
PC 36:3	52922843		WZCLAXMADUBPSG-RIXBAXMTSA-N
PC 38:6	52923295		PLZBTDKJYHXIEW-DZUXOTHRSA-N
LPC 16:0	460602		ASWBNKHCZGQVJV-HSZRJFAPSA-N
LPC 18:2	11005824		SPJFYYJXNPEZDW-FTJOPAKQSA-N
LPC 20:4	53480469		GOMVPVRDBLLHQC-VEJNOCSESA-N
LPE 22:6	52925132		XEVRBOQZSXWGQO-PAUXXPOVSA-N
SM (d14:0)	11433862		KYICBZWZQPCUMO-PSALXKTOSA-N
SM (d15:0)	52931139		LQINJRUGTUOHGS-YPDYIYJKSA-N
SM (d16:1)	52931145		OAHFTKWSJGVMTG-MBIABJCFSA-N
SM (d18:0)	6453725		LKQLRGMMMAHREN-YJFXYUILSA-N
SM (d20:0)	44260124		AADLTHQNYQJHQV-SVLGDMRNSA-N
SM (d22:1)
SM (d22:0)	44260125		FJJANLYCZUNFSE-TWKUQIQBSA-N
SM (d24:1)
SM (d24:0)	44260127		QEDPUVGSSDPBMD-XTAIVQBESA-N
METABOLITES_END
#END