#METABOLOMICS WORKBENCH bm_garcia_20211216_124309 DATATRACK_ID:2988 STUDY_ID:ST002046 ANALYSIS_ID:AN003333 PROJECT_ID:PR001293
VERSION             	1
CREATED_ON             	January 4, 2022, 1:58 am
#PROJECT
PR:PROJECT_TITLE                 	A Taguchi Design of Experiments Approach for Untargeted Metabolomics Sample
PR:PROJECT_TITLE                 	Preparation Optimization
PR:PROJECT_TYPE                  	Design of Experiments - Sample preparation optimization
PR:PROJECT_SUMMARY               	We describe an efficient Taguchi method design of experiments (DOE) approach to
PR:PROJECT_SUMMARY               	optimize the extraction solvent and volume, extraction time, and LC
PR:PROJECT_SUMMARY               	reconstitution solvent for a sequential non-polar and polar Caenorhabditis
PR:PROJECT_SUMMARY               	elegans extraction. DOE is rarely used in metabolomics yet provides a systematic
PR:PROJECT_SUMMARY               	approach for optimizing sample preparation while simultaneously decreasing the
PR:PROJECT_SUMMARY               	number of experiments required to obtain high-quality data.
PR:INSTITUTE                     	University of Georgia
PR:DEPARTMENT                    	Chemistry, Biochemistry, Complex Carbohydrate Research Center
PR:LABORATORY                    	Edison Lab
PR:LAST_NAME                     	Garcia
PR:FIRST_NAME                    	Brianna
PR:ADDRESS                       	315 Riverbend Road, Athens, GA, 30602, USA
PR:EMAIL                         	brianna.garcia@uga.edu
PR:PHONE                         	6269059945
PR:FUNDING_SOURCE                	NIH Metabolomics Common Fund
PR:CONTRIBUTORS                  	Goncalo J. Gouveia, Amanda O. Shaver, I. Jonathan Amster, Arthur S. Edison,
PR:CONTRIBUTORS                  	Franklin E. Leach III
#STUDY
ST:STUDY_TITLE                   	A Taguchi Design of Experiments Approach for Untargeted Metabolomics Sample
ST:STUDY_TITLE                   	Preparation Optimization
ST:STUDY_TYPE                    	Design of Experiments - Extraction Optimization
ST:STUDY_SUMMARY                 	We describe an efficient Taguchi method design of experiments (DOE) approach to
ST:STUDY_SUMMARY                 	optimize the extraction solvent and volume, extraction time, and LC
ST:STUDY_SUMMARY                 	reconstitution solvent for a sequential non-polar and polar Caenorhabditis
ST:STUDY_SUMMARY                 	elegans extraction. DOE is rarely used in metabolomics yet provides a systematic
ST:STUDY_SUMMARY                 	approach for optimizing sample preparation while simultaneously decreasing the
ST:STUDY_SUMMARY                 	number of experiments required to obtain high-quality data.
ST:INSTITUTE                     	University of Georgia
ST:LAST_NAME                     	Garcia
ST:FIRST_NAME                    	Brianna
ST:ADDRESS                       	315 Riverbend Road
ST:EMAIL                         	brianna.garcia@uga.edu
ST:PHONE                         	6269059945
ST:NUM_GROUPS                    	10
ST:TOTAL_SUBJECTS                	30
#SUBJECT
SU:SUBJECT_TYPE                  	Invertebrate
SU:SUBJECT_SPECIES               	Caenorhabditis elegans
SU:TAXONOMY_ID                   	6239
#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           	-	exp1_rp_pos_01	sample_type:Sample | experiment_number:1 | lc_ms_method:rp_pos	RAW_FILE_NAME=aos470_doeV3_01_17.raw
SUBJECT_SAMPLE_FACTORS           	-	exp1_rp_pos_02	sample_type:Sample | experiment_number:1 | lc_ms_method:rp_pos	RAW_FILE_NAME=aos470_doeV3_02_13.raw
SUBJECT_SAMPLE_FACTORS           	-	exp1_rp_pos_03	sample_type:Sample | experiment_number:1 | lc_ms_method:rp_pos	RAW_FILE_NAME=aos470_doeV3_03_27.raw
SUBJECT_SAMPLE_FACTORS           	-	exp2_rp_pos_01	sample_type:Sample | experiment_number:2 | lc_ms_method:rp_pos	RAW_FILE_NAME=aos470_doeV3_05_22.raw
SUBJECT_SAMPLE_FACTORS           	-	exp2_rp_pos_02	sample_type:Sample | experiment_number:2 | lc_ms_method:rp_pos	RAW_FILE_NAME=aos470_doeV3_06_31.raw
SUBJECT_SAMPLE_FACTORS           	-	exp2_rp_pos_03	sample_type:Sample | experiment_number:2 | lc_ms_method:rp_pos	RAW_FILE_NAME=aos470_doeV3_07_26.raw
SUBJECT_SAMPLE_FACTORS           	-	exp3_rp_pos_01	sample_type:Sample | experiment_number:3 | lc_ms_method:rp_pos	RAW_FILE_NAME=aos470_doeV3_09_12.raw
SUBJECT_SAMPLE_FACTORS           	-	exp3_rp_pos_02	sample_type:Sample | experiment_number:3 | lc_ms_method:rp_pos	RAW_FILE_NAME=aos470_doeV3_10_23.raw
SUBJECT_SAMPLE_FACTORS           	-	exp3_rp_pos_03	sample_type:Sample | experiment_number:3 | lc_ms_method:rp_pos	RAW_FILE_NAME=aos470_doeV3_11_34.raw
SUBJECT_SAMPLE_FACTORS           	-	exp4_rp_pos_01	sample_type:Sample | experiment_number:4 | lc_ms_method:rp_pos	RAW_FILE_NAME=aos470_doeV3_13_16.raw
SUBJECT_SAMPLE_FACTORS           	-	exp4_rp_pos_02	sample_type:Sample | experiment_number:4 | lc_ms_method:rp_pos	RAW_FILE_NAME=aos470_doeV3_14_11.raw
SUBJECT_SAMPLE_FACTORS           	-	exp4_rp_pos_03	sample_type:Sample | experiment_number:4 | lc_ms_method:rp_pos	RAW_FILE_NAME=aos470_doeV3_15_25.raw
SUBJECT_SAMPLE_FACTORS           	-	exp5_rp_pos_01	sample_type:Sample | experiment_number:5 | lc_ms_method:rp_pos	RAW_FILE_NAME=aos470_doeV3_17_46.raw
SUBJECT_SAMPLE_FACTORS           	-	exp5_rp_pos_02	sample_type:Sample | experiment_number:5 | lc_ms_method:rp_pos	RAW_FILE_NAME=aos470_doeV3_18_42.raw
SUBJECT_SAMPLE_FACTORS           	-	exp5_rp_pos_03	sample_type:Sample | experiment_number:5 | lc_ms_method:rp_pos	RAW_FILE_NAME=aos470_doeV3_19_33.raw
SUBJECT_SAMPLE_FACTORS           	-	exp6_rp_pos_01	sample_type:Sample | experiment_number:6 | lc_ms_method:rp_pos	RAW_FILE_NAME=aos470_doeV3_21_20.raw
SUBJECT_SAMPLE_FACTORS           	-	exp6_rp_pos_02	sample_type:Sample | experiment_number:6 | lc_ms_method:rp_pos	RAW_FILE_NAME=aos470_doeV3_22_28.raw
SUBJECT_SAMPLE_FACTORS           	-	exp6_rp_pos_03	sample_type:Sample | experiment_number:6 | lc_ms_method:rp_pos	RAW_FILE_NAME=aos470_doeV3_23_45.raw
SUBJECT_SAMPLE_FACTORS           	-	exp7_rp_pos_01	sample_type:Sample | experiment_number:7 | lc_ms_method:rp_pos	RAW_FILE_NAME=aos470_doeV3_25_38.raw
SUBJECT_SAMPLE_FACTORS           	-	exp7_rp_pos_02	sample_type:Sample | experiment_number:7 | lc_ms_method:rp_pos	RAW_FILE_NAME=aos470_doeV3_26_41.raw
SUBJECT_SAMPLE_FACTORS           	-	exp7_rp_pos_03	sample_type:Sample | experiment_number:7 | lc_ms_method:rp_pos	RAW_FILE_NAME=aos470_doeV3_27_09.raw
SUBJECT_SAMPLE_FACTORS           	-	exp8_rp_pos_01	sample_type:Sample | experiment_number:8 | lc_ms_method:rp_pos	RAW_FILE_NAME=aos470_doeV3_29_15.raw
SUBJECT_SAMPLE_FACTORS           	-	exp8_rp_pos_02	sample_type:Sample | experiment_number:8 | lc_ms_method:rp_pos	RAW_FILE_NAME=aos470_doeV3_30_10.raw
SUBJECT_SAMPLE_FACTORS           	-	exp8_rp_pos_03	sample_type:Sample | experiment_number:8 | lc_ms_method:rp_pos	RAW_FILE_NAME=aos470_doeV3_31_21.raw
SUBJECT_SAMPLE_FACTORS           	-	exp9_rp_pos_01	sample_type:Sample | experiment_number:9 | lc_ms_method:rp_pos	RAW_FILE_NAME=aos470_doeV3_33_14.raw
SUBJECT_SAMPLE_FACTORS           	-	exp9_rp_pos_02	sample_type:Sample | experiment_number:9 | lc_ms_method:rp_pos	RAW_FILE_NAME=aos470_doeV3_34_32.raw
SUBJECT_SAMPLE_FACTORS           	-	exp9_rp_pos_03	sample_type:Sample | experiment_number:9 | lc_ms_method:rp_pos	RAW_FILE_NAME=aos470_doeV3_35_43.raw
SUBJECT_SAMPLE_FACTORS           	-	exp10_rp_pos_01	sample_type:Sample | experiment_number:10 | lc_ms_method:rp_pos	RAW_FILE_NAME=aos456_ga_ms29_RLC_07.raw
SUBJECT_SAMPLE_FACTORS           	-	exp10_rp_pos_02	sample_type:Sample | experiment_number:10 | lc_ms_method:rp_pos	RAW_FILE_NAME=aos456_ga_ms30_RLC_08.raw
SUBJECT_SAMPLE_FACTORS           	-	exp10_rp_pos_03	sample_type:Sample | experiment_number:10 | lc_ms_method:rp_pos	RAW_FILE_NAME=aos456_ga_ms31_RLC_09.raw
SUBJECT_SAMPLE_FACTORS           	-	exp1_rp_neg_01	sample_type:Sample | experiment_number:1 | lc_ms_method:rp_neg	RAW_FILE_NAME=aos470_doeV3_01_neg_17.raw
SUBJECT_SAMPLE_FACTORS           	-	exp1_rp_neg_02	sample_type:Sample | experiment_number:1 | lc_ms_method:rp_neg	RAW_FILE_NAME=aos470_doeV3_02_neg_13.raw
SUBJECT_SAMPLE_FACTORS           	-	exp1_rp_neg_03	sample_type:Sample | experiment_number:1 | lc_ms_method:rp_neg	RAW_FILE_NAME=aos470_doeV3_03_neg_27.raw
SUBJECT_SAMPLE_FACTORS           	-	exp2_rp_neg_01	sample_type:Sample | experiment_number:2 | lc_ms_method:rp_neg	RAW_FILE_NAME=aos470_doeV3_05_neg_22.raw
SUBJECT_SAMPLE_FACTORS           	-	exp2_rp_neg_02	sample_type:Sample | experiment_number:2 | lc_ms_method:rp_neg	RAW_FILE_NAME=aos470_doeV3_06_neg_31.raw
SUBJECT_SAMPLE_FACTORS           	-	exp2_rp_neg_03	sample_type:Sample | experiment_number:2 | lc_ms_method:rp_neg	RAW_FILE_NAME=aos470_doeV3_07_neg_26.raw
SUBJECT_SAMPLE_FACTORS           	-	exp3_rp_neg_01	sample_type:Sample | experiment_number:3 | lc_ms_method:rp_neg	RAW_FILE_NAME=aos470_doeV3_09_neg_12.raw
SUBJECT_SAMPLE_FACTORS           	-	exp3_rp_neg_02	sample_type:Sample | experiment_number:3 | lc_ms_method:rp_neg	RAW_FILE_NAME=aos470_doeV3_10_neg_23.raw
SUBJECT_SAMPLE_FACTORS           	-	exp3_rp_neg_03	sample_type:Sample | experiment_number:3 | lc_ms_method:rp_neg	RAW_FILE_NAME=aos470_doeV3_11_neg_34.raw
SUBJECT_SAMPLE_FACTORS           	-	exp4_rp_neg_01	sample_type:Sample | experiment_number:4 | lc_ms_method:rp_neg	RAW_FILE_NAME=aos470_doeV3_13_neg_16.raw
SUBJECT_SAMPLE_FACTORS           	-	exp4_rp_neg_02	sample_type:Sample | experiment_number:4 | lc_ms_method:rp_neg	RAW_FILE_NAME=aos470_doeV3_14_neg_11.raw
SUBJECT_SAMPLE_FACTORS           	-	exp4_rp_neg_03	sample_type:Sample | experiment_number:4 | lc_ms_method:rp_neg	RAW_FILE_NAME=aos470_doeV3_15_neg_25.raw
SUBJECT_SAMPLE_FACTORS           	-	exp5_rp_neg_01	sample_type:Sample | experiment_number:5 | lc_ms_method:rp_neg	RAW_FILE_NAME=aos470_doeV3_17_neg_46.raw
SUBJECT_SAMPLE_FACTORS           	-	exp5_rp_neg_02	sample_type:Sample | experiment_number:5 | lc_ms_method:rp_neg	RAW_FILE_NAME=aos470_doeV3_18_neg_42.raw
SUBJECT_SAMPLE_FACTORS           	-	exp5_rp_neg_03	sample_type:Sample | experiment_number:5 | lc_ms_method:rp_neg	RAW_FILE_NAME=aos470_doeV3_19_neg_33.raw
SUBJECT_SAMPLE_FACTORS           	-	exp6_rp_neg_01	sample_type:Sample | experiment_number:6 | lc_ms_method:rp_neg	RAW_FILE_NAME=aos470_doeV3_21_neg_20.raw
SUBJECT_SAMPLE_FACTORS           	-	exp6_rp_neg_02	sample_type:Sample | experiment_number:6 | lc_ms_method:rp_neg	RAW_FILE_NAME=aos470_doeV3_22_neg_28.raw
SUBJECT_SAMPLE_FACTORS           	-	exp6_rp_neg_03	sample_type:Sample | experiment_number:6 | lc_ms_method:rp_neg	RAW_FILE_NAME=aos470_doeV3_23_neg_45.raw
SUBJECT_SAMPLE_FACTORS           	-	exp7_rp_neg_01	sample_type:Sample | experiment_number:7 | lc_ms_method:rp_neg	RAW_FILE_NAME=aos470_doeV3_25_neg_38.raw
SUBJECT_SAMPLE_FACTORS           	-	exp7_rp_neg_02	sample_type:Sample | experiment_number:7 | lc_ms_method:rp_neg	RAW_FILE_NAME=aos470_doeV3_26_neg_41.raw
SUBJECT_SAMPLE_FACTORS           	-	exp7_rp_neg_03	sample_type:Sample | experiment_number:7 | lc_ms_method:rp_neg	RAW_FILE_NAME=aos470_doeV3_27_neg_09.raw
SUBJECT_SAMPLE_FACTORS           	-	exp8_rp_neg_01	sample_type:Sample | experiment_number:8 | lc_ms_method:rp_neg	RAW_FILE_NAME=aos470_doeV3_29_neg_15.raw
SUBJECT_SAMPLE_FACTORS           	-	exp8_rp_neg_02	sample_type:Sample | experiment_number:8 | lc_ms_method:rp_neg	RAW_FILE_NAME=aos470_doeV3_30_neg_10.raw
SUBJECT_SAMPLE_FACTORS           	-	exp8_rp_neg_03	sample_type:Sample | experiment_number:8 | lc_ms_method:rp_neg	RAW_FILE_NAME=aos470_doeV3_31_neg_21.raw
SUBJECT_SAMPLE_FACTORS           	-	exp9_rp_neg_01	sample_type:Sample | experiment_number:9 | lc_ms_method:rp_neg	RAW_FILE_NAME=aos470_doeV3_33_neg_14.raw
SUBJECT_SAMPLE_FACTORS           	-	exp9_rp_neg_02	sample_type:Sample | experiment_number:9 | lc_ms_method:rp_neg	RAW_FILE_NAME=aos470_doeV3_34_neg_32.raw
SUBJECT_SAMPLE_FACTORS           	-	exp9_rp_neg_03	sample_type:Sample | experiment_number:9 | lc_ms_method:rp_neg	RAW_FILE_NAME=aos470_doeV3_35_neg_43.raw
SUBJECT_SAMPLE_FACTORS           	-	exp10_rp_neg_01	sample_type:Sample | experiment_number:10 | lc_ms_method:rp_neg	RAW_FILE_NAME=aos456_ga_ms29_RLC_neg_23.raw
SUBJECT_SAMPLE_FACTORS           	-	exp10_rp_neg_02	sample_type:Sample | experiment_number:10 | lc_ms_method:rp_neg	RAW_FILE_NAME=aos456_ga_ms30_RLC_neg_24.raw
SUBJECT_SAMPLE_FACTORS           	-	exp10_rp_neg_03	sample_type:Sample | experiment_number:10 | lc_ms_method:rp_neg	RAW_FILE_NAME=aos456_ga_ms31_RLC_neg_25.raw
SUBJECT_SAMPLE_FACTORS           	-	exp1_hilic_pos_01	sample_type:Sample | experiment_number:1 | lc_ms_method:hilic_pos	RAW_FILE_NAME=aos470_doeV3_01_15.raw
SUBJECT_SAMPLE_FACTORS           	-	exp1_hilic_pos_02	sample_type:Sample | experiment_number:1 | lc_ms_method:hilic_pos	RAW_FILE_NAME=aos470_doeV3_02_11.raw
SUBJECT_SAMPLE_FACTORS           	-	exp1_hilic_pos_03	sample_type:Sample | experiment_number:1 | lc_ms_method:hilic_pos	RAW_FILE_NAME=aos470_doeV3_03_36.raw
SUBJECT_SAMPLE_FACTORS           	-	exp2_hilic_pos_01	sample_type:Sample | experiment_number:2 | lc_ms_method:hilic_pos	RAW_FILE_NAME=aos470_doeV3_05_16.raw
SUBJECT_SAMPLE_FACTORS           	-	exp2_hilic_pos_02	sample_type:Sample | experiment_number:2 | lc_ms_method:hilic_pos	RAW_FILE_NAME=aos470_doeV3_06_20.raw
SUBJECT_SAMPLE_FACTORS           	-	exp2_hilic_pos_03	sample_type:Sample | experiment_number:2 | lc_ms_method:hilic_pos	RAW_FILE_NAME=aos470_doeV3_07_35.raw
SUBJECT_SAMPLE_FACTORS           	-	exp3_hilic_pos_01	sample_type:Sample | experiment_number:3 | lc_ms_method:hilic_pos	RAW_FILE_NAME=aos470_doeV3_09_10.raw
SUBJECT_SAMPLE_FACTORS           	-	exp3_hilic_pos_02	sample_type:Sample | experiment_number:3 | lc_ms_method:hilic_pos	RAW_FILE_NAME=aos470_doeV3_10_41.raw
SUBJECT_SAMPLE_FACTORS           	-	exp3_hilic_pos_03	sample_type:Sample | experiment_number:3 | lc_ms_method:hilic_pos	RAW_FILE_NAME=aos470_doeV3_11_31.raw
SUBJECT_SAMPLE_FACTORS           	-	exp4_hilic_pos_01	sample_type:Sample | experiment_number:4 | lc_ms_method:hilic_pos	RAW_FILE_NAME=aos470_doeV3_13_23.raw
SUBJECT_SAMPLE_FACTORS           	-	exp4_hilic_pos_02	sample_type:Sample | experiment_number:4 | lc_ms_method:hilic_pos	RAW_FILE_NAME=aos470_doeV3_14_17.raw
SUBJECT_SAMPLE_FACTORS           	-	exp4_hilic_pos_03	sample_type:Sample | experiment_number:4 | lc_ms_method:hilic_pos	RAW_FILE_NAME=aos470_doeV3_15_12.raw
SUBJECT_SAMPLE_FACTORS           	-	exp5_hilic_pos_01	sample_type:Sample | experiment_number:5 | lc_ms_method:hilic_pos	RAW_FILE_NAME=aos470_doeV3_17_27.raw
SUBJECT_SAMPLE_FACTORS           	-	exp5_hilic_pos_02	sample_type:Sample | experiment_number:5 | lc_ms_method:hilic_pos	RAW_FILE_NAME=aos470_doeV3_18_39.raw
SUBJECT_SAMPLE_FACTORS           	-	exp5_hilic_pos_03	sample_type:Sample | experiment_number:5 | lc_ms_method:hilic_pos	RAW_FILE_NAME=aos470_doeV3_19_32.raw
SUBJECT_SAMPLE_FACTORS           	-	exp6_hilic_pos_01	sample_type:Sample | experiment_number:6 | lc_ms_method:hilic_pos	RAW_FILE_NAME=aos470_doeV3_21_43.raw
SUBJECT_SAMPLE_FACTORS           	-	exp6_hilic_pos_02	sample_type:Sample | experiment_number:6 | lc_ms_method:hilic_pos	RAW_FILE_NAME=aos470_doeV3_22_25.raw
SUBJECT_SAMPLE_FACTORS           	-	exp6_hilic_pos_03	sample_type:Sample | experiment_number:6 | lc_ms_method:hilic_pos	RAW_FILE_NAME=aos470_doeV3_23_34.raw
SUBJECT_SAMPLE_FACTORS           	-	exp7_hilic_pos_01	sample_type:Sample | experiment_number:7 | lc_ms_method:hilic_pos	RAW_FILE_NAME=aos470_doeV3_25_26.raw
SUBJECT_SAMPLE_FACTORS           	-	exp7_hilic_pos_02	sample_type:Sample | experiment_number:7 | lc_ms_method:hilic_pos	RAW_FILE_NAME=aos470_doeV3_26_42.raw
SUBJECT_SAMPLE_FACTORS           	-	exp7_hilic_pos_03	sample_type:Sample | experiment_number:7 | lc_ms_method:hilic_pos	RAW_FILE_NAME=aos470_doeV3_27_28.raw
SUBJECT_SAMPLE_FACTORS           	-	exp8_hilic_pos_01	sample_type:Sample | experiment_number:8 | lc_ms_method:hilic_pos	RAW_FILE_NAME=aos470_doeV3_29_37.raw
SUBJECT_SAMPLE_FACTORS           	-	exp8_hilic_pos_02	sample_type:Sample | experiment_number:8 | lc_ms_method:hilic_pos	RAW_FILE_NAME=aos470_doeV3_30_46.raw
SUBJECT_SAMPLE_FACTORS           	-	exp8_hilic_pos_03	sample_type:Sample | experiment_number:8 | lc_ms_method:hilic_pos	RAW_FILE_NAME=aos470_doeV3_31_13.raw
SUBJECT_SAMPLE_FACTORS           	-	exp9_hilic_pos_01	sample_type:Sample | experiment_number:9 | lc_ms_method:hilic_pos	RAW_FILE_NAME=aos470_doeV3_33_45.raw
SUBJECT_SAMPLE_FACTORS           	-	exp9_hilic_pos_02	sample_type:Sample | experiment_number:9 | lc_ms_method:hilic_pos	RAW_FILE_NAME=aos470_doeV3_34_19.raw
SUBJECT_SAMPLE_FACTORS           	-	exp9_hilic_pos_03	sample_type:Sample | experiment_number:9 | lc_ms_method:hilic_pos	RAW_FILE_NAME=aos470_doeV3_35_14.raw
SUBJECT_SAMPLE_FACTORS           	-	exp10_hilic_pos_01	sample_type:Sample | experiment_number:10 | lc_ms_method:hilic_pos	RAW_FILE_NAME=aos456_ga_ms29_HLC_06.raw
SUBJECT_SAMPLE_FACTORS           	-	exp10_hilic_pos_02	sample_type:Sample | experiment_number:10 | lc_ms_method:hilic_pos	RAW_FILE_NAME=aos456_ga_ms30_HLC_07.raw
SUBJECT_SAMPLE_FACTORS           	-	exp10_hilic_pos_03	sample_type:Sample | experiment_number:10 | lc_ms_method:hilic_pos	RAW_FILE_NAME=aos456_ga_ms31_HLC_08.raw
SUBJECT_SAMPLE_FACTORS           	-	exp1_hilic_neg_01	sample_type:Sample | experiment_number:1 | lc_ms_method:hilic_neg	RAW_FILE_NAME=aos470_doeV3_01_neg_15.raw
SUBJECT_SAMPLE_FACTORS           	-	exp1_hilic_neg_02	sample_type:Sample | experiment_number:1 | lc_ms_method:hilic_neg	RAW_FILE_NAME=aos470_doeV3_02_neg_11.raw
SUBJECT_SAMPLE_FACTORS           	-	exp1_hilic_neg_03	sample_type:Sample | experiment_number:1 | lc_ms_method:hilic_neg	RAW_FILE_NAME=aos470_doeV3_03_neg_36.raw
SUBJECT_SAMPLE_FACTORS           	-	exp2_hilic_neg_01	sample_type:Sample | experiment_number:2 | lc_ms_method:hilic_neg	RAW_FILE_NAME=aos470_doeV3_05_neg_16.raw
SUBJECT_SAMPLE_FACTORS           	-	exp2_hilic_neg_02	sample_type:Sample | experiment_number:2 | lc_ms_method:hilic_neg	RAW_FILE_NAME=aos470_doeV3_06_neg_20.raw
SUBJECT_SAMPLE_FACTORS           	-	exp2_hilic_neg_03	sample_type:Sample | experiment_number:2 | lc_ms_method:hilic_neg	RAW_FILE_NAME=aos470_doeV3_07_neg_35.raw
SUBJECT_SAMPLE_FACTORS           	-	exp3_hilic_neg_01	sample_type:Sample | experiment_number:3 | lc_ms_method:hilic_neg	RAW_FILE_NAME=aos470_doeV3_09_neg_10.raw
SUBJECT_SAMPLE_FACTORS           	-	exp3_hilic_neg_02	sample_type:Sample | experiment_number:3 | lc_ms_method:hilic_neg	RAW_FILE_NAME=aos470_doeV3_10_neg_41.raw
SUBJECT_SAMPLE_FACTORS           	-	exp3_hilic_neg_03	sample_type:Sample | experiment_number:3 | lc_ms_method:hilic_neg	RAW_FILE_NAME=aos470_doeV3_11_neg_31.raw
SUBJECT_SAMPLE_FACTORS           	-	exp4_hilic_neg_01	sample_type:Sample | experiment_number:4 | lc_ms_method:hilic_neg	RAW_FILE_NAME=aos470_doeV3_13_neg_23.raw
SUBJECT_SAMPLE_FACTORS           	-	exp4_hilic_neg_02	sample_type:Sample | experiment_number:4 | lc_ms_method:hilic_neg	RAW_FILE_NAME=aos470_doeV3_14_neg_17.raw
SUBJECT_SAMPLE_FACTORS           	-	exp4_hilic_neg_03	sample_type:Sample | experiment_number:4 | lc_ms_method:hilic_neg	RAW_FILE_NAME=aos470_doeV3_15_neg_12.raw
SUBJECT_SAMPLE_FACTORS           	-	exp5_hilic_neg_01	sample_type:Sample | experiment_number:5 | lc_ms_method:hilic_neg	RAW_FILE_NAME=aos470_doeV3_17_neg_27.raw
SUBJECT_SAMPLE_FACTORS           	-	exp5_hilic_neg_02	sample_type:Sample | experiment_number:5 | lc_ms_method:hilic_neg	RAW_FILE_NAME=aos470_doeV3_18_neg_39.raw
SUBJECT_SAMPLE_FACTORS           	-	exp5_hilic_neg_03	sample_type:Sample | experiment_number:5 | lc_ms_method:hilic_neg	RAW_FILE_NAME=aos470_doeV3_19_neg_32.raw
SUBJECT_SAMPLE_FACTORS           	-	exp6_hilic_neg_01	sample_type:Sample | experiment_number:6 | lc_ms_method:hilic_neg	RAW_FILE_NAME=aos470_doeV3_21_neg_43.raw
SUBJECT_SAMPLE_FACTORS           	-	exp6_hilic_neg_02	sample_type:Sample | experiment_number:6 | lc_ms_method:hilic_neg	RAW_FILE_NAME=aos470_doeV3_22_neg_25.raw
SUBJECT_SAMPLE_FACTORS           	-	exp6_hilic_neg_03	sample_type:Sample | experiment_number:6 | lc_ms_method:hilic_neg	RAW_FILE_NAME=aos470_doeV3_23_neg_34.raw
SUBJECT_SAMPLE_FACTORS           	-	exp7_hilic_neg_01	sample_type:Sample | experiment_number:7 | lc_ms_method:hilic_neg	RAW_FILE_NAME=aos470_doeV3_25_neg_26.raw
SUBJECT_SAMPLE_FACTORS           	-	exp7_hilic_neg_02	sample_type:Sample | experiment_number:7 | lc_ms_method:hilic_neg	RAW_FILE_NAME=aos470_doeV3_26_neg_42.raw
SUBJECT_SAMPLE_FACTORS           	-	exp7_hilic_neg_03	sample_type:Sample | experiment_number:7 | lc_ms_method:hilic_neg	RAW_FILE_NAME=aos470_doeV3_27_neg_28.raw
SUBJECT_SAMPLE_FACTORS           	-	exp8_hilic_neg_01	sample_type:Sample | experiment_number:8 | lc_ms_method:hilic_neg	RAW_FILE_NAME=aos470_doeV3_29_neg_37.raw
SUBJECT_SAMPLE_FACTORS           	-	exp8_hilic_neg_02	sample_type:Sample | experiment_number:8 | lc_ms_method:hilic_neg	RAW_FILE_NAME=aos470_doeV3_30_neg_46.raw
SUBJECT_SAMPLE_FACTORS           	-	exp8_hilic_neg_03	sample_type:Sample | experiment_number:8 | lc_ms_method:hilic_neg	RAW_FILE_NAME=aos470_doeV3_31_neg_13.raw
SUBJECT_SAMPLE_FACTORS           	-	exp9_hilic_neg_01	sample_type:Sample | experiment_number:9 | lc_ms_method:hilic_neg	RAW_FILE_NAME=aos470_doeV3_33_neg_45.raw
SUBJECT_SAMPLE_FACTORS           	-	exp9_hilic_neg_02	sample_type:Sample | experiment_number:9 | lc_ms_method:hilic_neg	RAW_FILE_NAME=aos470_doeV3_34_neg_19.raw
SUBJECT_SAMPLE_FACTORS           	-	exp9_hilic_neg_03	sample_type:Sample | experiment_number:9 | lc_ms_method:hilic_neg	RAW_FILE_NAME=aos470_doeV3_35_neg_14.raw
SUBJECT_SAMPLE_FACTORS           	-	exp10_hilic_neg_01	sample_type:Sample | experiment_number:10 | lc_ms_method:hilic_neg	RAW_FILE_NAME=aos456_ga_ms29_HLC_neg_20.raw
SUBJECT_SAMPLE_FACTORS           	-	exp10_hilic_neg_02	sample_type:Sample | experiment_number:10 | lc_ms_method:hilic_neg	RAW_FILE_NAME=aos456_ga_ms30_HLC_neg_21.raw
SUBJECT_SAMPLE_FACTORS           	-	exp10_hilic_neg_03	sample_type:Sample | experiment_number:10 | lc_ms_method:hilic_neg	RAW_FILE_NAME=aos456_ga_ms31_HLC_neg_22.raw
#COLLECTION
CO:COLLECTION_SUMMARY            	C. elegans were grown on large-scale culture plates (LSCPs), manually counted,
CO:COLLECTION_SUMMARY            	aliquoted into 50,000 worm tubes, lyophilized and weighed. See detailed protocol
CO:COLLECTION_SUMMARY            	for worm growth at: Shaver, A. O., Gouveia, G. J., Kirby, P. S., Andersen, E.
CO:COLLECTION_SUMMARY            	C., Edison, A. S. Culture and Assay of Large-Scale Mixed-Stage Caenorhabditis
CO:COLLECTION_SUMMARY            	elegans Populations. J. Vis. Exp. (171), e61453, doi:10.3791/61453 (2021).
CO:SAMPLE_TYPE                   	Worms
CO:STORAGE_CONDITIONS            	-80℃
#TREATMENT
TR:TREATMENT_SUMMARY             	The compared groups are different extraction protocols using a Taguchi Design of
TR:TREATMENT_SUMMARY             	Experiments (DOE) approach. Detailed information on the different extraction
TR:TREATMENT_SUMMARY             	protocols compared is available in detail in the manuscript.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Samples were extracted according to the L9 orthogonal array described in the
SP:SAMPLEPREP_SUMMARY            	manuscript. Details are shown in the attached methods, but for full context
SP:SAMPLEPREP_SUMMARY            	refer to the manuscript.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	The following gradient program was used: -5.0 min 95% B; 0.0-0.5 min 95% B;
CH:CHROMATOGRAPHY_SUMMARY        	8.0-9.4 min 40% B; 9.5-11.0 min 95% B. A curve 5 value was set for -5.0 and 0.0
CH:CHROMATOGRAPHY_SUMMARY        	minutes, a curve 6 at 0.5 min, curve 7 at 8.0 min, and a curve 6 for the
CH:CHROMATOGRAPHY_SUMMARY        	remainder of the gradient.
CH:CHROMATOGRAPHY_TYPE           	HILIC
CH:INSTRUMENT_NAME               	Thermo Vanquish
CH:COLUMN_NAME                   	Waters Acquity BEH Amide (150 x 2.1mm, 1.7um)
CH:FLOW_RATE                     	0.400 mL/min
CH:COLUMN_TEMPERATURE            	40
CH:SOLVENT_A                     	80/20 water/acetonitrile,10 mM ammonium formate, and 0.1% formic acid
CH:SOLVENT_B                     	100% acetonitrile, 0.1% formic acid
CH:SAMPLE_INJECTION              	2.0 uL
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:LABORATORY_NAME               	Edison Lab
AN:OPERATOR_NAME                 	Brianna M. Garcia
AN:DETECTOR_TYPE                 	Orbitrap
AN:DATA_FORMAT                   	.raw
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive HF-X Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	NEGATIVE
MS:MS_COMMENTS                   	Scan range 70-1050 m/z. Details in attached methods. MZmine 2.53 was used for
MS:MS_COMMENTS                   	data processing.
MS:CAPILLARY_TEMPERATURE         	262.50
MS:DRY_GAS_FLOW                  	50
MS:DRY_GAS_TEMP                  	425.0
MS:SOURCE_TEMPERATURE            	425.0
MS:SPRAY_VOLTAGE                 	2500
MS:DATAFORMAT                    	.raw Profile
MS:MS_RESULTS_FILE               	ST002046_AN003333_Results.txt	UNITS:Peak height	Has m/z:Yes	Has RT:Yes	RT units:Minutes
#END