#METABOLOMICS WORKBENCH bm_garcia_20220304_061727_mwtab.txt DATATRACK_ID:3114 STUDY_ID:ST002096 ANALYSIS_ID:AN003424 PROJECT_ID:PR001328 VERSION 1 CREATED_ON March 4, 2022, 6:22 am #PROJECT PR:PROJECT_TITLE Addressing batch effects in large-scale metabolomics with augmented experimental PR:PROJECT_TITLE design and meta-analysis PR:PROJECT_SUMMARY Untargeted NMR study conducted using a NEO 800 MHz Bruker NMR spectrometer PR:PROJECT_SUMMARY where non-polar extracts were collected on three groups of C. elegans: natural PR:PROJECT_SUMMARY isolates, central metabolism mutants, and UDP-glucuronosyltrasnferase mutants. PR:PROJECT_SUMMARY An augmented design, rank transformation of the raw data, strict QA/QC followed PR:PROJECT_SUMMARY by a meta-analysis was performed. PR:INSTITUTE University of Georgia - Complex Carbohydrate Research Center PR:LABORATORY Edison Lab PR:LAST_NAME Garcia PR:FIRST_NAME Brianna PR:ADDRESS 315 Riverbend Road PR:EMAIL brianna.garcia@uga.edu PR:PHONE 7065424401 PR:FUNDING_SOURCE U2CES030167 PR:CONTRIBUTORS Amanda O. Shaver, Goncalo J. Gouveia, Alison M. Morse, Zihao Liu, Carter K. PR:CONTRIBUTORS Asef, Ricardo M. Borges, Franklin E. Leach III, Erik C. Andersen, I. Jonathan PR:CONTRIBUTORS Amster, Facundo M. Fernández, Arthur S. Edison, and Lauren M. McIntyre #STUDY ST:STUDY_TITLE Addressing batch effects in large-scale metabolomics with augmented experimental ST:STUDY_TITLE design and meta-analysis ST:STUDY_SUMMARY Untargeted NMR study conducted using a NEO 800 MHz Bruker NMR spectrometer ST:STUDY_SUMMARY where non-polar extracts were collected on three groups of C. elegans: natural ST:STUDY_SUMMARY isolates, central metabolism mutants, and UDP-glucuronosyltrasnferase mutants. ST:STUDY_SUMMARY An augmented design, rank transformation of the raw data, strict QA/QC followed ST:STUDY_SUMMARY by a meta-analysis was performed. ST:INSTITUTE University of Georgia - Complex Carbohydrate Research Center ST:LABORATORY Edison Lab ST:LAST_NAME Garcia ST:FIRST_NAME Brianna ST:ADDRESS 315 Riverbend Road, Athens, GA, 30602, USA ST:EMAIL brianna.garcia@uga.edu ST:PHONE 7065424401 ST:NUM_GROUPS 3 ST:TOTAL_SUBJECTS 116 ST:STUDY_COMMENTS Three study groups of C. elegans strains were used: central metabolism mutants ST:STUDY_COMMENTS (CMM), UDP-glucuronosyltransferase (UGT) mutants, and natural isolates. #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 - aos100_ga_ms2_73 set:2 | batch:4 | genotype:KJ550 RAW_FILE_NAME=73; rack_position=C3; parameters=proton SUBJECT_SAMPLE_FACTORS - aos101_ga_ms2_121 set:3 | batch:6 | genotype:UGT49 RAW_FILE_NAME=121; rack_position=C3; parameters=proton SUBJECT_SAMPLE_FACTORS - aos102_ga_ms3_122 set:3 | batch:6 | genotype:PD1074 RAW_FILE_NAME=122; rack_position=C4; parameters=proton SUBJECT_SAMPLE_FACTORS - aos105_co_ms2_123 set:3 | batch:6 | genotype:VC2524 RAW_FILE_NAME=123; rack_position=C5; parameters=proton SUBJECT_SAMPLE_FACTORS - aos106_co_ms2_25 set:1 | batch:2 | genotype:N2 RAW_FILE_NAME=25; rack_position=C1; parameters=proton SUBJECT_SAMPLE_FACTORS - aos107_ga_bku_80 set:2 | batch:4 | genotype:PD1074 RAW_FILE_NAME=80; rack_position=C10; parameters=proton SUBJECT_SAMPLE_FACTORS - aos108_ga_ms2_27 set:1 | batch:2 | genotype:RB2011 RAW_FILE_NAME=27; rack_position=C3; parameters=proton SUBJECT_SAMPLE_FACTORS - aos109_ga_ms2_81 set:2 | batch:4 | genotype:KJ550 RAW_FILE_NAME=81; rack_position=C11; parameters=proton SUBJECT_SAMPLE_FACTORS - aos111_ga_ms2_82 set:2 | batch:4 | genotype:RB2550 RAW_FILE_NAME=82; rack_position=C12; parameters=proton SUBJECT_SAMPLE_FACTORS - aos113_ga_ms1_124 set:3 | batch:6 | genotype:PD1074 RAW_FILE_NAME=124; rack_position=C6; parameters=proton SUBJECT_SAMPLE_FACTORS - aos113_ga_ms1_28 set:1 | batch:2 | genotype:PD1074 RAW_FILE_NAME=28; rack_position=C4; parameters=proton SUBJECT_SAMPLE_FACTORS - aos113_ga_ms1_84 set:2 | batch:4 | genotype:PD1074 RAW_FILE_NAME=84; rack_position=D2; parameters=proton SUBJECT_SAMPLE_FACTORS - aos114_ga_ms2_125 set:3 | batch:6 | genotype:RB2055 RAW_FILE_NAME=125; rack_position=C7; parameters=proton SUBJECT_SAMPLE_FACTORS - aos115_gt_ms1_29 set:1 | batch:2 | genotype:CB4856 RAW_FILE_NAME=29; rack_position=C5; parameters=proton SUBJECT_SAMPLE_FACTORS - aos116_ga_ms2_83 set:2 | batch:4 | genotype:RB2347 RAW_FILE_NAME=83; rack_position=D1; parameters=proton SUBJECT_SAMPLE_FACTORS - aos118_ga_ms2_126 set:3 | batch:6 | genotype:RB2055 RAW_FILE_NAME=126; rack_position=C8; parameters=proton SUBJECT_SAMPLE_FACTORS - aos120_ga_ms2_127 set:3 | batch:6 | genotype:AUM2073 RAW_FILE_NAME=127; rack_position=C9; parameters=proton SUBJECT_SAMPLE_FACTORS - aos122_ga_ms2_4 set:1 | batch:1 | genotype:RB2011 RAW_FILE_NAME=4; rack_position=A4; parameters=proton SUBJECT_SAMPLE_FACTORS - aos125_ga_ms2_85 set:2 | batch:4 | genotype:VC1265 RAW_FILE_NAME=85; rack_position=D3; parameters=proton SUBJECT_SAMPLE_FACTORS - aos127_ga_ms2_5 set:1 | batch:1 | genotype:CX11314 RAW_FILE_NAME=5; rack_position=A5; parameters=proton SUBJECT_SAMPLE_FACTORS - aos127_ga_ms3_24 set:1 | batch:2 | genotype:CX11314 RAW_FILE_NAME=24; rack_position=B12; parameters=proton SUBJECT_SAMPLE_FACTORS - aos129_ga_ms2_6 set:1 | batch:1 | genotype:PD1074 RAW_FILE_NAME=6; rack_position=A6; parameters=proton SUBJECT_SAMPLE_FACTORS - aos133_ga_ms2_128 set:3 | batch:6 | genotype:UGT49 RAW_FILE_NAME=128; rack_position=C10; parameters=proton SUBJECT_SAMPLE_FACTORS - aos134_ga_ms2_86 set:2 | batch:4 | genotype:KJ550 RAW_FILE_NAME=86; rack_position=D4; parameters=proton SUBJECT_SAMPLE_FACTORS - aos135_ga_ms2_129 set:3 | batch:6 | genotype:AUM2073 RAW_FILE_NAME=129; rack_position=C11; parameters=proton SUBJECT_SAMPLE_FACTORS - aos140_ga_ms3_87 set:2 | batch:4 | genotype:PD1074 RAW_FILE_NAME=87; rack_position=D5; parameters=proton SUBJECT_SAMPLE_FACTORS - aos140_gt_ms3_130 set:3 | batch:6 | genotype:PD1074 RAW_FILE_NAME=130; rack_position=C12; parameters=proton SUBJECT_SAMPLE_FACTORS - aos142_ga_ms2_7 set:1 | batch:1 | genotype:CB4856 RAW_FILE_NAME=7; rack_position=A7; parameters=proton SUBJECT_SAMPLE_FACTORS - aos145_ga_ms2_8 set:1 | batch:1 | genotype:CB4856 RAW_FILE_NAME=8; rack_position=A8; parameters=proton SUBJECT_SAMPLE_FACTORS - aos149_ga_ms2_9 set:1 | batch:1 | genotype:PD1074 RAW_FILE_NAME=9; rack_position=A9; parameters=proton SUBJECT_SAMPLE_FACTORS - aos165_ga_ms2_30 set:1 | batch:2 | genotype:DL238 RAW_FILE_NAME=30; rack_position=C6; parameters=proton SUBJECT_SAMPLE_FACTORS - aos166_ga_ms2_131 set:3 | batch:6 | genotype:UGT49 RAW_FILE_NAME=131; rack_position=D1; parameters=proton SUBJECT_SAMPLE_FACTORS - aos167_ga_ms3_31 set:1 | batch:2 | genotype:PD1074 RAW_FILE_NAME=31; rack_position=C7; parameters=proton SUBJECT_SAMPLE_FACTORS - aos167_ga_ms4_132 set:3 | batch:6 | genotype:PD1074 RAW_FILE_NAME=132; rack_position=D2; parameters=proton SUBJECT_SAMPLE_FACTORS - aos169_ga_ms2_133 set:3 | batch:6 | genotype:AUM2073 RAW_FILE_NAME=133; rack_position=D3; parameters=proton SUBJECT_SAMPLE_FACTORS - aos170_ga_ms2_32 set:1 | batch:2 | genotype:CB4856 RAW_FILE_NAME=32; rack_position=C8; parameters=proton SUBJECT_SAMPLE_FACTORS - aos171_ga_ms2_88 set:2 | batch:4 | genotype:RB2347 RAW_FILE_NAME=88; rack_position=D6; parameters=proton SUBJECT_SAMPLE_FACTORS - aos173_ga_ms2_33 set:1 | batch:2 | genotype:RB2011 RAW_FILE_NAME=33; rack_position=C9; parameters=proton SUBJECT_SAMPLE_FACTORS - aos174_ga_ms2_34 set:1 | batch:2 | genotype:DL238 RAW_FILE_NAME=34; rack_position=C10; parameters=proton SUBJECT_SAMPLE_FACTORS - aos175_ga_ms2_35 set:1 | batch:2 | genotype:CX11314 RAW_FILE_NAME=35; rack_position=C11; parameters=proton SUBJECT_SAMPLE_FACTORS - aos180_ga_ms2_89 set:2 | batch:4 | genotype:PD1074 RAW_FILE_NAME=89; rack_position=D7; parameters=proton SUBJECT_SAMPLE_FACTORS - aos181_ga_ms2_99 set:3 | batch:5 | genotype:PD1074 RAW_FILE_NAME=99; rack_position=A5; parameters=proton SUBJECT_SAMPLE_FACTORS - aos184_ga_ms2_50 set:2 | batch:3 | genotype:VC1265 RAW_FILE_NAME=50; rack_position=A4; parameters=proton SUBJECT_SAMPLE_FACTORS - aos185_ga_ms2_51 set:2 | batch:3 | genotype:PD1074 RAW_FILE_NAME=51; rack_position=A5; parameters=proton SUBJECT_SAMPLE_FACTORS - aos188_ga_ms3_36 set:1 | batch:2 | genotype:PD1074 RAW_FILE_NAME=36; rack_position=C12; parameters=proton SUBJECT_SAMPLE_FACTORS - aos192_ga_ms2_37 set:1 | batch:2 | genotype:DL238 RAW_FILE_NAME=37; rack_position=D1; parameters=proton SUBJECT_SAMPLE_FACTORS - aos193_ga_ms2_136 set:3 | batch:6 | genotype:UGT60 RAW_FILE_NAME=136; rack_position=D6; parameters=proton SUBJECT_SAMPLE_FACTORS - aos193_ga_ms3_100 set:3 | batch:5 | genotype:UGT60 RAW_FILE_NAME=100; rack_position=A6; parameters=proton SUBJECT_SAMPLE_FACTORS - aos196_ga_ms2_101 set:3 | batch:5 | genotype:PD1074 RAW_FILE_NAME=101; rack_position=A7; parameters=proton SUBJECT_SAMPLE_FACTORS - aos196_ga_ms3_135 set:3 | batch:6 | genotype:PD1074 RAW_FILE_NAME=135; rack_position=D5; parameters=proton SUBJECT_SAMPLE_FACTORS - aos197_ga_ms1_134 set:3 | batch:6 | genotype:RB2055 RAW_FILE_NAME=134; rack_position=D4; parameters=proton SUBJECT_SAMPLE_FACTORS - aos198_ga_ms2_137 set:3 | batch:6 | genotype:PD1074 RAW_FILE_NAME=137; rack_position=D7; parameters=proton SUBJECT_SAMPLE_FACTORS - aos199_ga_ms2_38 set:1 | batch:2 | genotype:CX11314 RAW_FILE_NAME=38; rack_position=D2; parameters=proton SUBJECT_SAMPLE_FACTORS - aos200_ga_ms2_39 set:1 | batch:2 | genotype:PD1074 RAW_FILE_NAME=39; rack_position=D3; parameters=proton SUBJECT_SAMPLE_FACTORS - aos25_ga_ms2_10 set:1 | batch:1 | genotype:CX11314 RAW_FILE_NAME=10; rack_position=A10; parameters=proton SUBJECT_SAMPLE_FACTORS - aos26_ga_ms2_102 set:3 | batch:5 | genotype:RB2055 RAW_FILE_NAME=102; rack_position=A8; parameters=proton SUBJECT_SAMPLE_FACTORS - aos27_ga_ms3_11 set:1 | batch:1 | genotype:PD1074 RAW_FILE_NAME=11; rack_position=A11; parameters=proton SUBJECT_SAMPLE_FACTORS - aos27_ga_ms4_52 set:2 | batch:3 | genotype:PD1074 RAW_FILE_NAME=52; rack_position=A6; parameters=proton SUBJECT_SAMPLE_FACTORS - aos28_ga_ms2_53 set:2 | batch:3 | genotype:KJ550 RAW_FILE_NAME=53; rack_position=A7; parameters=proton SUBJECT_SAMPLE_FACTORS - aos32_ga_ms2_12 set:1 | batch:1 | genotype:RB2011 RAW_FILE_NAME=12; rack_position=A12; parameters=proton SUBJECT_SAMPLE_FACTORS - aos33_ga_ms2_105 set:3 | batch:5 | genotype:UGT60 RAW_FILE_NAME=105; rack_position=A11; parameters=proton SUBJECT_SAMPLE_FACTORS - aos35_ga_ms2_54 set:2 | batch:3 | genotype:RB2550 RAW_FILE_NAME=54; rack_position=A8; parameters=proton SUBJECT_SAMPLE_FACTORS - aos36_ga_ms2_55 set:2 | batch:3 | genotype:RB2347 RAW_FILE_NAME=55; rack_position=A9; parameters=proton SUBJECT_SAMPLE_FACTORS - aos37_ga_ms2_56 set:2 | batch:3 | genotype:RB2347 RAW_FILE_NAME=56; rack_position=A10; parameters=proton SUBJECT_SAMPLE_FACTORS - aos38_ga_ms2_57 set:2 | batch:3 | genotype:PD1074 RAW_FILE_NAME=57; rack_position=A11; parameters=proton SUBJECT_SAMPLE_FACTORS - aos39_ga_ms2_103 set:3 | batch:5 | genotype:UGT49 RAW_FILE_NAME=103; rack_position=A9; parameters=proton SUBJECT_SAMPLE_FACTORS - aos40_ga_ms2_58 set:2 | batch:3 | genotype:RB2550 RAW_FILE_NAME=58; rack_position=A12; parameters=proton SUBJECT_SAMPLE_FACTORS - aos41_ga_ms2_104 set:3 | batch:5 | genotype:PD1074 RAW_FILE_NAME=104; rack_position=A10; parameters=proton SUBJECT_SAMPLE_FACTORS - aos42_ga_ms2_59 set:2 | batch:3 | genotype:VC1265 RAW_FILE_NAME=59; rack_position=B1; parameters=proton SUBJECT_SAMPLE_FACTORS - aos43_ga_bku_60 set:2 | batch:3 | genotype:PD1074 RAW_FILE_NAME=60; rack_position=B2; parameters=proton SUBJECT_SAMPLE_FACTORS - aos43_ga_ms4_13 set:1 | batch:1 | genotype:PD1074 RAW_FILE_NAME=13; rack_position=B1; parameters=proton SUBJECT_SAMPLE_FACTORS - aos44_ga_ms2_106 set:3 | batch:5 | genotype:PD1074 RAW_FILE_NAME=106; rack_position=A12; parameters=proton SUBJECT_SAMPLE_FACTORS - aos45_ga_ms2_110 set:3 | batch:5 | genotype:RB2055 RAW_FILE_NAME=110; rack_position=B4; parameters=proton SUBJECT_SAMPLE_FACTORS - aos46_ga_ms2_14 set:1 | batch:1 | genotype:DL238 RAW_FILE_NAME=14; rack_position=B2; parameters=proton SUBJECT_SAMPLE_FACTORS - aos47_ga_ms2_107 set:3 | batch:5 | genotype:VC2524 RAW_FILE_NAME=107; rack_position=B1; parameters=proton SUBJECT_SAMPLE_FACTORS - aos48_ga_ms2_15 set:1 | batch:1 | genotype:N2 RAW_FILE_NAME=15; rack_position=B3; parameters=proton SUBJECT_SAMPLE_FACTORS - aos49_ga_ms2_108 set:3 | batch:5 | genotype:UGT49 RAW_FILE_NAME=108; rack_position=B2; parameters=proton SUBJECT_SAMPLE_FACTORS - aos50_ga_ms2_16 set:1 | batch:1 | genotype:DL238 RAW_FILE_NAME=16; rack_position=B4; parameters=proton SUBJECT_SAMPLE_FACTORS - aos51_ga_ms2_109 set:3 | batch:5 | genotype:AUM2073 RAW_FILE_NAME=109; rack_position=B3; parameters=proton SUBJECT_SAMPLE_FACTORS - aos53_ga_ms2_40 set:1 | batch:2 | genotype:PD1074 RAW_FILE_NAME=40; rack_position=D4; parameters=proton SUBJECT_SAMPLE_FACTORS - aos56_ga_ms2_41 set:1 | batch:2 | genotype:N2 RAW_FILE_NAME=41; rack_position=D5; parameters=proton SUBJECT_SAMPLE_FACTORS - aos58_ga_ms2_18 set:1 | batch:1 | genotype:N2 RAW_FILE_NAME=18; rack_position=B6; parameters=proton SUBJECT_SAMPLE_FACTORS - aos65_ga_ms2_19 set:1 | batch:1 | genotype:DL238 RAW_FILE_NAME=19; rack_position=B7; parameters=proton SUBJECT_SAMPLE_FACTORS - aos66_ga_ms2_112 set:3 | batch:5 | genotype:UGT60 RAW_FILE_NAME=112; rack_position=B6; parameters=proton SUBJECT_SAMPLE_FACTORS - aos67_ga_ms2_20 set:1 | batch:1 | genotype:N2 RAW_FILE_NAME=20; rack_position=B8; parameters=proton SUBJECT_SAMPLE_FACTORS - aos69_ga_ms1_64 set:2 | batch:3 | genotype:PD1074 RAW_FILE_NAME=64; rack_position=B6; parameters=proton SUBJECT_SAMPLE_FACTORS - aos69_ga_ms3_114 set:3 | batch:5 | genotype:PD1074 RAW_FILE_NAME=114; rack_position=B8; parameters=proton SUBJECT_SAMPLE_FACTORS - aos70_ga_ms2_113 set:3 | batch:5 | genotype:VC2524 RAW_FILE_NAME=113; rack_position=B7; parameters=proton SUBJECT_SAMPLE_FACTORS - aos71_ga_ms2_62 set:2 | batch:3 | genotype:RB2550 RAW_FILE_NAME=62; rack_position=B4; parameters=proton SUBJECT_SAMPLE_FACTORS - aos73_ga_ms2_70 set:2 | batch:4 | genotype:VC1265 RAW_FILE_NAME=70; rack_position=B12; parameters=proton SUBJECT_SAMPLE_FACTORS - aos74_ga_ms2_63 set:2 | batch:3 | genotype:RB2347 RAW_FILE_NAME=63; rack_position=B5; parameters=proton SUBJECT_SAMPLE_FACTORS - aos75_ga_ms4_115 set:3 | batch:5 | genotype:PD1074 RAW_FILE_NAME=115; rack_position=B9; parameters=proton SUBJECT_SAMPLE_FACTORS - aos76_ga_ms2_21 set:1 | batch:1 | genotype:CX11314 RAW_FILE_NAME=21; rack_position=B9; parameters=proton SUBJECT_SAMPLE_FACTORS - aos78_ga_ms4_22 set:1 | batch:1 | genotype:PD1074 RAW_FILE_NAME=22; rack_position=B10; parameters=proton SUBJECT_SAMPLE_FACTORS - aos79_ga_ms2_116 set:3 | batch:5 | genotype:AUM2073 RAW_FILE_NAME=116; rack_position=B10; parameters=proton SUBJECT_SAMPLE_FACTORS - aos81_ga_ms2_71 set:2 | batch:4 | genotype:RB2550 RAW_FILE_NAME=71; rack_position=C1; parameters=proton SUBJECT_SAMPLE_FACTORS - aos82_ga_ms2_75 set:2 | batch:4 | genotype:RB2347 RAW_FILE_NAME=75; rack_position=C5; parameters=proton SUBJECT_SAMPLE_FACTORS - aos83_ga_ms2_117 set:3 | batch:5 | genotype:RB2055 RAW_FILE_NAME=117; rack_position=B11; parameters=proton SUBJECT_SAMPLE_FACTORS - aos84_ga_ms2_76 set:2 | batch:4 | genotype:VC1265 RAW_FILE_NAME=76; rack_position=C6; parameters=proton SUBJECT_SAMPLE_FACTORS - aos85_ga_ms2_140 set:3 | batch:6 | genotype:VC2524 RAW_FILE_NAME=140; rack_position=D10; parameters=proton SUBJECT_SAMPLE_FACTORS - aos85_ga_ms3_98 set:3 | batch:5 | genotype:VC2524 RAW_FILE_NAME=98; rack_position=A4; parameters=proton SUBJECT_SAMPLE_FACTORS - aos86_ga_ms2_65 set:2 | batch:3 | genotype:KJ550 RAW_FILE_NAME=65; rack_position=B7; parameters=proton SUBJECT_SAMPLE_FACTORS - aos87_co_ms3_72 set:2 | batch:4 | genotype:PD1074 RAW_FILE_NAME=72; rack_position=C2; parameters=proton SUBJECT_SAMPLE_FACTORS - aos87_ga_ms3_118 set:3 | batch:5 | genotype:PD1074 RAW_FILE_NAME=118; rack_position=B12; parameters=proton SUBJECT_SAMPLE_FACTORS - aos88_ga_ms2_138 set:3 | batch:6 | genotype:UGT49 RAW_FILE_NAME=138; rack_position=D8; parameters=proton SUBJECT_SAMPLE_FACTORS - aos90_ga_ms3_66 set:2 | batch:3 | genotype:PD1074 RAW_FILE_NAME=66; rack_position=B8; parameters=proton SUBJECT_SAMPLE_FACTORS - aos91_ga_ms2_119 set:3 | batch:5 | genotype:AUM2073 RAW_FILE_NAME=119; rack_position=C1; parameters=proton SUBJECT_SAMPLE_FACTORS - aos92_ga_ms2_77 set:2 | batch:4 | genotype:PD1074 RAW_FILE_NAME=77; rack_position=C7; parameters=proton SUBJECT_SAMPLE_FACTORS - aos93_ga_ms2_78 set:2 | batch:4 | genotype:VC1265 RAW_FILE_NAME=78; rack_position=C8; parameters=proton SUBJECT_SAMPLE_FACTORS - aos94_ga_ms2_139 set:3 | batch:6 | genotype:VC2524 RAW_FILE_NAME=139; rack_position=D9; parameters=proton SUBJECT_SAMPLE_FACTORS - aos95_ga_ms2_79 set:2 | batch:4 | genotype:RB2347 RAW_FILE_NAME=79; rack_position=C9; parameters=proton SUBJECT_SAMPLE_FACTORS - aos96_ga_ms2_74 set:2 | batch:4 | genotype:RB2550 RAW_FILE_NAME=74; rack_position=C4; parameters=proton SUBJECT_SAMPLE_FACTORS - aos98_ga_ms2_67 set:2 | batch:3 | genotype:VC1265 RAW_FILE_NAME=67; rack_position=B9; parameters=proton SUBJECT_SAMPLE_FACTORS - aos99_ga_ms2_141 set:3 | batch:6 | genotype:PD1074 RAW_FILE_NAME=141; rack_position=D11; parameters=proton SUBJECT_SAMPLE_FACTORS - aos99_ga_ms2_26 set:1 | batch:2 | genotype:PD1074 RAW_FILE_NAME=26; rack_position=C2; parameters=proton SUBJECT_SAMPLE_FACTORS - aos99_ga_ms2_68 set:2 | batch:3 | genotype:PD1074 RAW_FILE_NAME=68; rack_position=B10; parameters=proton SUBJECT_SAMPLE_FACTORS - pooled_mutant_142 set:3 | batch:6 | genotype:pooled_mutant RAW_FILE_NAME=142; rack_position=D12; parameters=proton SUBJECT_SAMPLE_FACTORS - pooled_mutant_90 set:2 | batch:4 | genotype:pooled_mutant RAW_FILE_NAME=90; rack_position=D8; parameters=proton SUBJECT_SAMPLE_FACTORS - pooled_natural_isolate_42 set:1 | batch:2 | genotype:pooled_natural_isolate RAW_FILE_NAME=42; rack_position=D6; parameters=proton SUBJECT_SAMPLE_FACTORS - pooled_pd1074_143 set:3 | batch:6 | genotype:pooled_pd1074 RAW_FILE_NAME=143; rack_position=E1; parameters=proton SUBJECT_SAMPLE_FACTORS - pooled_pd1074_43 set:1 | batch:2 | genotype:pooled_pd1074 RAW_FILE_NAME=43; rack_position=D7; parameters=proton SUBJECT_SAMPLE_FACTORS - pooled_pd1074_91 set:2 | batch:4 | genotype:pooled_pd1074 RAW_FILE_NAME=91; rack_position=D9; parameters=proton SUBJECT_SAMPLE_FACTORS - solera_144 set:3 | batch:6 | genotype:solera RAW_FILE_NAME=144; rack_position=E2; parameters=proton SUBJECT_SAMPLE_FACTORS - solera_3 set:1 | batch:1 | genotype:solera RAW_FILE_NAME=3; rack_position=A3; parameters=proton SUBJECT_SAMPLE_FACTORS - solera_44 set:1 | batch:2 | genotype:solera RAW_FILE_NAME=44; rack_position=D8; parameters=proton SUBJECT_SAMPLE_FACTORS - solera_49 set:2 | batch:3 | genotype:solera RAW_FILE_NAME=49; rack_position=A3; parameters=proton SUBJECT_SAMPLE_FACTORS - solera_92 set:2 | batch:4 | genotype:solera RAW_FILE_NAME=92; rack_position=D10; parameters=proton SUBJECT_SAMPLE_FACTORS - solera_97 set:3 | batch:5 | genotype:solera RAW_FILE_NAME=97; rack_position=A3; parameters=proton #COLLECTION CO:COLLECTION_SUMMARY Escherichia coli (E. coli) IBAT (iterative batch average method) reference CO:COLLECTION_SUMMARY material and food source used throughout this experiment. Briefly, for each CO:COLLECTION_SUMMARY biological sample, a large-scale culture plate (LSCP) was used to generate a CO:COLLECTION_SUMMARY large mixed-stage population of worms (four to seven LSCP replicates per test CO:COLLECTION_SUMMARY strain). For each LSCP, worms were collected, population size estimated, and CO:COLLECTION_SUMMARY subsequently divided into at least 12 identical aliquots of 200,000 worms in CO:COLLECTION_SUMMARY ddH2O and flash-frozen in liquid nitrogen and stored at -80°C. As a quality CO:COLLECTION_SUMMARY control sample, C. elegans IBAT reference material was generated and saved in CO:COLLECTION_SUMMARY 200,000 worm aliquots. CO:SAMPLE_TYPE Worms CO:VOLUMEORAMOUNT_COLLECTED 200,000 worms CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY No treatments. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Frozen lyophilized C. elegans aliquots were retrieved from -80°C. 200 μL of 1 SP:SAMPLEPREP_SUMMARY mm zirconia beads were added to each sample and homogenized at 420 rcf for 90 SP:SAMPLEPREP_SUMMARY seconds in a FastPrep-96 homogenizer and subsequently placed on dry ice for 90 SP:SAMPLEPREP_SUMMARY seconds to avoid overheating, this step was repeated twice for a total of three SP:SAMPLEPREP_SUMMARY rounds. Using the homogenized samples, 1 mL of 100% IPA chilled to -20°C was SP:SAMPLEPREP_SUMMARY added to the lyophilized/homogenized sample powder and Zirconia beads in two SP:SAMPLEPREP_SUMMARY increments of 500 μL. After each addition of 500 μL, samples were vortexed for SP:SAMPLEPREP_SUMMARY 30 seconds – 1 minute and left at RT for 15 - 20 minutes. After RT incubation, SP:SAMPLEPREP_SUMMARY samples were stored overnight (~12 hours) at -20°C. Samples were centrifuged SP:SAMPLEPREP_SUMMARY for 30 minutes at 4°C (20,800 rcf). The supernatant was transferred to a new SP:SAMPLEPREP_SUMMARY tube to use for analysis of non-polar molecules. 1 mL of pre-chilled 80:20 SP:SAMPLEPREP_SUMMARY MeOH:H2O (4°C) was added to the remaining worm pellet to analyze polar SP:SAMPLEPREP_SUMMARY molecules. The polar fraction shook at 4°C for 30 minutes. Samples were SP:SAMPLEPREP_SUMMARY centrifuged at 20,800 rcf for 30 minutes at 4°C. The supernatant was SP:SAMPLEPREP_SUMMARY transferred to a new tube to use for analysis of non-polar molecules. Both polar SP:SAMPLEPREP_SUMMARY and non-polar samples were placed in a Labconco Centrivap at RT and monitored SP:SAMPLEPREP_SUMMARY until completely dry. Once dry, polar and non-polar samples were reconstituted SP:SAMPLEPREP_SUMMARY in D2O (99%, Cambridge Isotope Laboratories, Inc.) in a buffered solution with SP:SAMPLEPREP_SUMMARY DSS (D6) and CDCl3 (99.96%, Cambridge Isotope Laboratories, Inc.) respectively. SP:SAMPLEPREP_SUMMARY Samples were vortexed until fully soluble, and 45 μL of each sample were SP:SAMPLEPREP_SUMMARY transferred into 1.7 mm NMR tubes (Bruker SampleJet) for acquisition. SP:PROCESSING_STORAGE_CONDITIONS -80℃ SP:EXTRACTION_METHOD Sequential extraction of (1) IPA for non-polar molecule followed by (2) 80/20 SP:EXTRACTION_METHOD MeOH/H2O for polar SP:EXTRACT_STORAGE -80℃ SP:SAMPLE_RESUSPENSION CDCl3 for non-polar; D2O (99%, Cambridge Isotope Laboratories, Inc.) in a SP:SAMPLE_RESUSPENSION buffered solution with DSS (D6) for polar #ANALYSIS AN:ANALYSIS_TYPE NMR AN:LABORATORY_NAME Edison Lab – Complex Carbohydrate Research Center AN:OPERATOR_NAME Amanda O. Shaver AN:DETECTOR_TYPE Bruker Neo 1.7 mm TCI Cryo Probe AN:ACQUISITION_DATE 2020-03-30 AN:DATA_FORMAT ft #NMR NM:INSTRUMENT_NAME Bruker Neo 800 MHz NM:INSTRUMENT_TYPE FT-NMR NM:NMR_EXPERIMENT_TYPE 1D-1H NM:SPECTROMETER_FREQUENCY 800 NM:NMR_PROBE 1.7 mm TCI cryoprobe NM:NMR_SOLVENT CDCl3 NM:NMR_TUBE_SIZE 1.7 mm NM:SHIMMING_METHOD Automatic (“Topshim”) NM:PULSE_SEQUENCE zg NM:WATER_SUPPRESSION 3758.64 @ 4.7 ppm NM:RECEIVER_GAIN 65.1 NM:TEMPERATURE 6 NM:NUMBER_OF_SCANS 64 NM:DUMMY_SCANS 4 NM:ACQUISITION_TIME 1.31 sec NM:SPECTRAL_WIDTH 20.2 NM:NUM_DATA_POINTS_ACQUIRED 65,536 NM:LINE_BROADENING 1.5 NM:APODIZATION exponential NM:BASELINE_CORRECTION_METHOD Polynomial Automatic fit NM:CHEMICAL_SHIFT_REF_STD 7.24 NM:NMR_RESULTS_FILE ST002096_AN003424_Results.txt UNITS:Ranked Intensity #END