#METABOLOMICS WORKBENCH bm_garcia_20211216_124309 DATATRACK_ID:2988 STUDY_ID:ST002046 ANALYSIS_ID:AN003331 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 20% B; 0.0 min 20% B; 1.0 min 60% CH:CHROMATOGRAPHY_SUMMARY B; 5.0 min 70% B; 5.5 min 85% B; 8.0 min 90% B; 8.2-10.5 min 100% B; 10.7-12.0 CH:CHROMATOGRAPHY_SUMMARY min 20% B. A curve 5 value was set for -5.0 and 0.0 minutes, and a curve 6 for CH:CHROMATOGRAPHY_SUMMARY the remainder of the gradient. CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME Thermo Scientific Accucore C30, 2.1 x 150 mm, 2.6 μm particle size CH:FLOW_RATE 0.400 mL/min CH:COLUMN_TEMPERATURE 55 CH:SOLVENT_A 40/60 water/acetonitrile, 10 mM ammonium formate, 0.1% formic acid CH:SOLVENT_B 10/90 acetonitrile/2-propanol, 10 mM ammonium formate, 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 150-2000 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_AN003331_Results.txt UNITS:Peak height Has m/z:Yes Has RT:Yes RT units:Minutes #END