#METABOLOMICS WORKBENCH Armando_Alcazar_20240926_154142 DATATRACK_ID:5232 STUDY_ID:ST003729 ANALYSIS_ID:AN006118 PROJECT_ID:PR002315 VERSION 1 CREATED_ON February 14, 2025, 4:50 pm #PROJECT PR:PROJECT_TITLE Honey bee egg composition changes seasonally PR:PROJECT_SUMMARY Here we investigate bee eggs sampled from a field survey to see if the lipid and PR:PROJECT_SUMMARY metabolite composition differs as a result of naturally-occurring queen virus PR:PROJECT_SUMMARY infections. PR:INSTITUTE University of British Columbia PR:DEPARTMENT Biochemistry and Molecular Biology, Life Sciences Institute PR:LABORATORY Foster Lab PR:LAST_NAME Alcazar Magana PR:FIRST_NAME Armando PR:ADDRESS 2350 Health Sciences Mall, Vancouver, BC, V6T1Z3, Canada PR:EMAIL armando.alcazarmagana@ubc.ca PR:PHONE 5416097172 #STUDY ST:STUDY_TITLE Honey bee egg composition changes seasonally and after acute maternal virus ST:STUDY_TITLE infection. ST:STUDY_TYPE Metabolomics and lipidomics ST:STUDY_SUMMARY Honey bee (Apis mellifera) colonies depend on the reproductive output of their ST:STUDY_SUMMARY queens, which in turn is contingent on the care provided by worker bees. In this ST:STUDY_SUMMARY study, we collected eggs from honey bee queens in natural field conditions and ST:STUDY_SUMMARY found that egg collection date strongly influenced egg composition, likely ST:STUDY_SUMMARY reflecting seasonal variations in pollen resources. These findings highlight ST:STUDY_SUMMARY that while viral infections can induce transgenerational effects on egg ST:STUDY_SUMMARY proteomes under short-term experimental conditions, such effects are less ST:STUDY_SUMMARY apparent in natural settings and can be overshadowed by seasonal and other ST:STUDY_SUMMARY ecological factors. ST:INSTITUTE University of British Columbia ST:DEPARTMENT Biochemistry and Molecular Biology, Life Sciences Institute ST:LABORATORY Foster Lab ST:LAST_NAME Alcazar Magana ST:FIRST_NAME Armando ST:ADDRESS 2350 Health Sciences Mall ST:EMAIL armando.alcazarmagana@ubc.ca ST:PHONE 5416097172 #SUBJECT SU:SUBJECT_TYPE Insect SU:SUBJECT_SPECIES Apis mellifera SU:TAXONOMY_ID 7460 SU:GENDER Not applicable #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 - 1 Sample source:honey bee egg | Treatment:Beekeeper1-May14 RAW_FILE_NAME(Raw file name Metabolomics POS)=1_8-18-2023_G-A3_13123; RAW_FILE_NAME(Raw file name Metabolomics NEG)=1_8-20-2023_G-A3_13229; RAW_FILE_NAME(Raw file name Lipidomics POS)=1_8-22-2023_Left A3_13343 SUBJECT_SAMPLE_FACTORS - 2 Sample source:honey bee egg | Treatment:Beekeeper1-May14 RAW_FILE_NAME(Raw file name Metabolomics POS)=2_8-19-2023_G-A4_13178; RAW_FILE_NAME(Raw file name Metabolomics NEG)=2_8-21-2023_G-A4_13284; RAW_FILE_NAME(Raw file name Lipidomics POS)=2_8-23-2023_Left A4_13422 SUBJECT_SAMPLE_FACTORS - 3 Sample source:honey bee egg | Treatment:Beekeeper1-May14 RAW_FILE_NAME(Raw file name Metabolomics POS)=3_8-18-2023_G-A5_13130; RAW_FILE_NAME(Raw file name Metabolomics NEG)=3_8-20-2023_G-A5_13236; RAW_FILE_NAME(Raw file name Lipidomics POS)=3_8-23-2023_Left A5_13389 SUBJECT_SAMPLE_FACTORS - 4 Sample source:honey bee egg | Treatment:Beekeeper1-May14 RAW_FILE_NAME(Raw file name Metabolomics POS)=4_8-19-2023_G-A6_13147; RAW_FILE_NAME(Raw file name Metabolomics NEG)=4_8-20-2023_G-A6_13253; RAW_FILE_NAME(Raw file name Lipidomics POS)=4_8-22-2023_Left A6_13360 SUBJECT_SAMPLE_FACTORS - 5 Sample source:honey bee egg | Treatment:Beekeeper1-May14 RAW_FILE_NAME(Raw file name Metabolomics POS)=5_8-19-2023_G-A7_13180; RAW_FILE_NAME(Raw file name Metabolomics NEG)=5_8-21-2023_G-A7_13286; RAW_FILE_NAME(Raw file name Lipidomics POS)=5_8-22-2023_Left A7_13349 SUBJECT_SAMPLE_FACTORS - 6 Sample source:honey bee egg | Treatment:Beekeeper1-May14 RAW_FILE_NAME(Raw file name Metabolomics POS)=6_8-19-2023_G-A8_13206; RAW_FILE_NAME(Raw file name Metabolomics NEG)=6_8-21-2023_G-A8_13312; RAW_FILE_NAME(Raw file name Lipidomics POS)=6_8-23-2023_Left A8_13379 SUBJECT_SAMPLE_FACTORS - 7 Sample source:honey bee egg | Treatment:Beekeeper1-May14 RAW_FILE_NAME(Raw file name Metabolomics POS)=7_8-18-2023_G-A9_13127; RAW_FILE_NAME(Raw file name Metabolomics NEG)=7_8-20-2023_G-A9_13233; RAW_FILE_NAME(Raw file name Lipidomics POS)=7_8-23-2023_Left A9_13391 SUBJECT_SAMPLE_FACTORS - 8 Sample source:honey bee egg | Treatment:Beekeeper1-May14 RAW_FILE_NAME(Raw file name Metabolomics POS)=8_8-19-2023_G-A10_13184; RAW_FILE_NAME(Raw file name Metabolomics NEG)=8_8-21-2023_G-A10_13290; RAW_FILE_NAME(Raw file name Lipidomics POS)=8_8-22-2023_Left A10_13350 SUBJECT_SAMPLE_FACTORS - 9 Sample source:honey bee egg | Treatment:Beekeeper1-May14 RAW_FILE_NAME(Raw file name Metabolomics POS)=9_8-19-2023_G-A11_13145; RAW_FILE_NAME(Raw file name Metabolomics NEG)=9_8-20-2023_G-A11_13251; RAW_FILE_NAME(Raw file name Lipidomics POS)=9_8-23-2023_Left A11_13404 SUBJECT_SAMPLE_FACTORS - 10 Sample source:honey bee egg | Treatment:Beekeeper1-May14 RAW_FILE_NAME(Raw file name Metabolomics POS)=10_8-19-2023_G-A12_13168; RAW_FILE_NAME(Raw file name Metabolomics NEG)=10_8-21-2023_G-A12_13274; RAW_FILE_NAME(Raw file name Lipidomics POS)=10_8-23-2023_Left A12_13426 SUBJECT_SAMPLE_FACTORS - 11 Sample source:honey bee egg | Treatment:Beekeeper2-May15 RAW_FILE_NAME(Raw file name Metabolomics POS)=11_8-19-2023_G-B1_13194; RAW_FILE_NAME(Raw file name Metabolomics NEG)=11_8-21-2023_G-B1_13300; RAW_FILE_NAME(Raw file name Lipidomics POS)=11_8-23-2023_Left B1_13434 SUBJECT_SAMPLE_FACTORS - 12 Sample source:honey bee egg | Treatment:Beekeeper2-May15 RAW_FILE_NAME(Raw file name Metabolomics POS)=12_8-19-2023_G-B2_13156; RAW_FILE_NAME(Raw file name Metabolomics NEG)=12_8-20-2023_G-B2_13262; RAW_FILE_NAME(Raw file name Lipidomics POS)=12_8-23-2023_Left B2_13382 SUBJECT_SAMPLE_FACTORS - 13 Sample source:honey bee egg | Treatment:Beekeeper2-May15 RAW_FILE_NAME(Raw file name Metabolomics POS)=13_8-19-2023_G-B3_13142; RAW_FILE_NAME(Raw file name Metabolomics NEG)=13_8-20-2023_G-B3_13248; RAW_FILE_NAME(Raw file name Lipidomics POS)=13_8-22-2023_Left B3_13364 SUBJECT_SAMPLE_FACTORS - 15 Sample source:honey bee egg | Treatment:Beekeeper2-May15 RAW_FILE_NAME(Raw file name Metabolomics POS)=15_8-19-2023_G-B4_13179; RAW_FILE_NAME(Raw file name Metabolomics NEG)=15_8-21-2023_G-B4_13285; RAW_FILE_NAME(Raw file name Lipidomics POS)=15_8-23-2023_Left B4_13423 SUBJECT_SAMPLE_FACTORS - 17 Sample source:honey bee egg | Treatment:Beekeeper2-May15 RAW_FILE_NAME(Raw file name Metabolomics POS)=17_8-19-2023_G-B5_13213; RAW_FILE_NAME(Raw file name Metabolomics NEG)=17_8-21-2023_G-B5_13319; RAW_FILE_NAME(Raw file name Lipidomics POS)=17_8-23-2023_Left B5_13410 SUBJECT_SAMPLE_FACTORS - 18 Sample source:honey bee egg | Treatment:Beekeeper2-May15 RAW_FILE_NAME(Raw file name Metabolomics POS)=18_8-19-2023_G-B6_13192; RAW_FILE_NAME(Raw file name Metabolomics NEG)=18_8-21-2023_G-B6_13298; RAW_FILE_NAME(Raw file name Lipidomics POS)=18_8-23-2023_Left B6_13424 SUBJECT_SAMPLE_FACTORS - 19 Sample source:honey bee egg | Treatment:Beekeeper2-May15 RAW_FILE_NAME(Raw file name Metabolomics POS)=19_8-19-2023_G-B7_13198; RAW_FILE_NAME(Raw file name Metabolomics NEG)=19_8-21-2023_G-B7_13304; RAW_FILE_NAME(Raw file name Lipidomics POS)=19_8-23-2023_Left B7_13371 SUBJECT_SAMPLE_FACTORS - 20 Sample source:honey bee egg | Treatment:Beekeeper2-May15 RAW_FILE_NAME(Raw file name Metabolomics POS)=20_8-19-2023_G-B8_13167; RAW_FILE_NAME(Raw file name Metabolomics NEG)=20_8-20-2023_G-B8_13273; RAW_FILE_NAME(Raw file name Lipidomics POS)=20_8-23-2023_Left B8_13433 SUBJECT_SAMPLE_FACTORS - 21 Sample source:honey bee egg | Treatment:Beekeeper2-May15 RAW_FILE_NAME(Raw file name Metabolomics POS)=21_8-19-2023_G-B9_13207; RAW_FILE_NAME(Raw file name Metabolomics NEG)=21_8-21-2023_G-B9_13313; RAW_FILE_NAME(Raw file name Lipidomics POS)=21_8-22-2023_Left B9_13352 SUBJECT_SAMPLE_FACTORS - 28 Sample source:honey bee egg | Treatment:Beekeeper1-Jun15 RAW_FILE_NAME(Raw file name Metabolomics POS)=28_8-19-2023_G-C3_13210; RAW_FILE_NAME(Raw file name Metabolomics NEG)=28_8-21-2023_G-C3_13316; RAW_FILE_NAME(Raw file name Lipidomics POS)=28_8-23-2023_Left C3_13419 SUBJECT_SAMPLE_FACTORS - 29 Sample source:honey bee egg | Treatment:Beekeeper1-Jun15 RAW_FILE_NAME(Raw file name Metabolomics POS)=29_8-18-2023_G-C4_13139; RAW_FILE_NAME(Raw file name Metabolomics NEG)=29_8-20-2023_G-C4_13245; RAW_FILE_NAME(Raw file name Lipidomics POS)=29_8-24-2023_Left C4_13442 SUBJECT_SAMPLE_FACTORS - 30 Sample source:honey bee egg | Treatment:Beekeeper1-Jun15 RAW_FILE_NAME(Raw file name Metabolomics POS)=30_8-20-2023_G-C5_13220; RAW_FILE_NAME(Raw file name Metabolomics NEG)=30_8-21-2023_G-C5_13326; RAW_FILE_NAME(Raw file name Lipidomics POS)=30_8-22-2023_Left C5_13348 SUBJECT_SAMPLE_FACTORS - 31 Sample source:honey bee egg | Treatment:Beekeeper1-Jun15 RAW_FILE_NAME(Raw file name Metabolomics POS)=31_8-19-2023_G-C6_13186; RAW_FILE_NAME(Raw file name Metabolomics NEG)=31_8-21-2023_G-C6_13292; RAW_FILE_NAME(Raw file name Lipidomics POS)=31_8-23-2023_Left C6_13401 SUBJECT_SAMPLE_FACTORS - 32 Sample source:honey bee egg | Treatment:Beekeeper1-Jun15 RAW_FILE_NAME(Raw file name Metabolomics POS)=32_8-19-2023_G-C7_13216; RAW_FILE_NAME(Raw file name Metabolomics NEG)=32_8-21-2023_G-C7_13322; RAW_FILE_NAME(Raw file name Lipidomics POS)=32_8-23-2023_Left C7_13421 SUBJECT_SAMPLE_FACTORS - 33 Sample source:honey bee egg | Treatment:Beekeeper1-Jun15 RAW_FILE_NAME(Raw file name Metabolomics POS)=33_8-18-2023_G-C8_13136; RAW_FILE_NAME(Raw file name Metabolomics NEG)=33_8-20-2023_G-C8_13242; RAW_FILE_NAME(Raw file name Lipidomics POS)=33_8-23-2023_Left C8_13366 SUBJECT_SAMPLE_FACTORS - 34 Sample source:honey bee egg | Treatment:Beekeeper2-Jun16 RAW_FILE_NAME(Raw file name Metabolomics POS)=34_8-19-2023_G-C9_13199; RAW_FILE_NAME(Raw file name Metabolomics NEG)=34_8-21-2023_G-C9_13305; RAW_FILE_NAME(Raw file name Lipidomics POS)=34_8-23-2023_Left C9_13393 SUBJECT_SAMPLE_FACTORS - 35 Sample source:honey bee egg | Treatment:Beekeeper2-Jun16 RAW_FILE_NAME(Raw file name Metabolomics POS)=35_8-19-2023_G-C10_13141; RAW_FILE_NAME(Raw file name Metabolomics NEG)=35_8-20-2023_G-C10_13247; RAW_FILE_NAME(Raw file name Lipidomics POS)=35_8-23-2023_Left C10_13392 SUBJECT_SAMPLE_FACTORS - 36 Sample source:honey bee egg | Treatment:Beekeeper2-Jun16 RAW_FILE_NAME(Raw file name Metabolomics POS)=36_8-18-2023_G-C11_13140; RAW_FILE_NAME(Raw file name Metabolomics NEG)=36_8-20-2023_G-C11_13246; RAW_FILE_NAME(Raw file name Lipidomics POS)=36_8-23-2023_Left C11_13438 SUBJECT_SAMPLE_FACTORS - 37 Sample source:honey bee egg | Treatment:Beekeeper2-Jun16 RAW_FILE_NAME(Raw file name Metabolomics POS)=37_8-19-2023_G-C12_13211; RAW_FILE_NAME(Raw file name Metabolomics NEG)=37_8-21-2023_G-C12_13317; RAW_FILE_NAME(Raw file name Lipidomics POS)=37_8-23-2023_Left C12_13414 SUBJECT_SAMPLE_FACTORS - 38 Sample source:honey bee egg | Treatment:Beekeeper2-Jun16 RAW_FILE_NAME(Raw file name Metabolomics POS)=38_8-19-2023_G-D1_13183; RAW_FILE_NAME(Raw file name Metabolomics NEG)=38_8-21-2023_G-D1_13289; RAW_FILE_NAME(Raw file name Lipidomics POS)=38_8-23-2023_Left D1_13394 SUBJECT_SAMPLE_FACTORS - 39 Sample source:honey bee egg | Treatment:Beekeeper2-Jun16 RAW_FILE_NAME(Raw file name Metabolomics POS)=39_8-19-2023_G-D2_13164; RAW_FILE_NAME(Raw file name Metabolomics NEG)=39_8-20-2023_G-D2_13270; RAW_FILE_NAME(Raw file name Lipidomics POS)=39_8-23-2023_Left D2_13381 SUBJECT_SAMPLE_FACTORS - 40 Sample source:honey bee egg | Treatment:Beekeeper2-Jun16 RAW_FILE_NAME(Raw file name Metabolomics POS)=40_8-20-2023_G-D3_13221; RAW_FILE_NAME(Raw file name Metabolomics NEG)=40_8-21-2023_G-D3_13327; RAW_FILE_NAME(Raw file name Lipidomics POS)=40_8-23-2023_Left D3_13432 SUBJECT_SAMPLE_FACTORS - 41 Sample source:honey bee egg | Treatment:Beekeeper2-Jun16 RAW_FILE_NAME(Raw file name Metabolomics POS)=41_8-19-2023_G-D4_13174; RAW_FILE_NAME(Raw file name Metabolomics NEG)=41_8-21-2023_G-D4_13280; RAW_FILE_NAME(Raw file name Lipidomics POS)=41_8-23-2023_Left D4_13386 SUBJECT_SAMPLE_FACTORS - 42 Sample source:honey bee egg | Treatment:Beekeeper2-Jun16 RAW_FILE_NAME(Raw file name Metabolomics POS)=42_8-19-2023_G-D5_13191; RAW_FILE_NAME(Raw file name Metabolomics NEG)=42_8-21-2023_G-D5_13297; RAW_FILE_NAME(Raw file name Lipidomics POS)=42_8-23-2023_Left D5_13405 SUBJECT_SAMPLE_FACTORS - 43 Sample source:honey bee egg | Treatment:Beekeeper2-Jun16 RAW_FILE_NAME(Raw file name Metabolomics POS)=43_8-19-2023_G-D6_13204; RAW_FILE_NAME(Raw file name Metabolomics NEG)=43_8-21-2023_G-D6_13310; RAW_FILE_NAME(Raw file name Lipidomics POS)=43_8-23-2023_Left D6_13416 SUBJECT_SAMPLE_FACTORS - 44 Sample source:honey bee egg | Treatment:Beekeeper2-Jun16 RAW_FILE_NAME(Raw file name Metabolomics POS)=44_8-18-2023_G-D7_13129; RAW_FILE_NAME(Raw file name Metabolomics NEG)=44_8-20-2023_G-D7_13235; RAW_FILE_NAME(Raw file name Lipidomics POS)=44_8-23-2023_Left D7_13396 SUBJECT_SAMPLE_FACTORS - 45 Sample source:honey bee egg | Treatment:Beekeeper2-Jun16 RAW_FILE_NAME(Raw file name Metabolomics POS)=45_8-19-2023_G-D8_13172; RAW_FILE_NAME(Raw file name Metabolomics NEG)=45_8-21-2023_G-D8_13278; RAW_FILE_NAME(Raw file name Lipidomics POS)=45_8-22-2023_Left D8_13354 SUBJECT_SAMPLE_FACTORS - 46 Sample source:honey bee egg | Treatment:Beekeeper2-Jun16 RAW_FILE_NAME(Raw file name Metabolomics POS)=46_8-18-2023_G-D9_13131; RAW_FILE_NAME(Raw file name Metabolomics NEG)=46_8-20-2023_G-D9_13237; RAW_FILE_NAME(Raw file name Lipidomics POS)=46_8-22-2023_Left D9_13345 SUBJECT_SAMPLE_FACTORS - 47 Sample source:honey bee egg | Treatment:Beekeeper2-Jun16 RAW_FILE_NAME(Raw file name Metabolomics POS)=47_8-19-2023_G-D10_13190; RAW_FILE_NAME(Raw file name Metabolomics NEG)=47_8-21-2023_G-D10_13296; RAW_FILE_NAME(Raw file name Lipidomics POS)=47_8-22-2023_Left D10_13346 SUBJECT_SAMPLE_FACTORS - 48 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 RAW_FILE_NAME(Raw file name Metabolomics POS)=48_8-19-2023_G-D11_13165; RAW_FILE_NAME(Raw file name Metabolomics NEG)=48_8-20-2023_G-D11_13271; RAW_FILE_NAME(Raw file name Lipidomics POS)=48_8-22-2023_Left D11_13357 SUBJECT_SAMPLE_FACTORS - 49 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 RAW_FILE_NAME(Raw file name Metabolomics POS)=49_8-19-2023_G-D12_13214; RAW_FILE_NAME(Raw file name Metabolomics NEG)=49_8-21-2023_G-D12_13320; RAW_FILE_NAME(Raw file name Lipidomics POS)=49_8-23-2023_Left D12_13420 SUBJECT_SAMPLE_FACTORS - 50 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 RAW_FILE_NAME(Raw file name Metabolomics POS)=50_8-20-2023_G-E1_13219; RAW_FILE_NAME(Raw file name Metabolomics NEG)=50_8-21-2023_G-E1_13325; RAW_FILE_NAME(Raw file name Lipidomics POS)=50_8-22-2023_Left E1_13347 SUBJECT_SAMPLE_FACTORS - 51 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 RAW_FILE_NAME(Raw file name Metabolomics POS)=51_8-19-2023_G-E2_13161; RAW_FILE_NAME(Raw file name Metabolomics NEG)=51_8-20-2023_G-E2_13267; RAW_FILE_NAME(Raw file name Lipidomics POS)=51_8-22-2023_Left E2_13365 SUBJECT_SAMPLE_FACTORS - 52 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 RAW_FILE_NAME(Raw file name Metabolomics POS)=52_8-19-2023_G-E3_13215; RAW_FILE_NAME(Raw file name Metabolomics NEG)=52_8-21-2023_G-E3_13321; RAW_FILE_NAME(Raw file name Lipidomics POS)=52_8-23-2023_Left E3_13387 SUBJECT_SAMPLE_FACTORS - 53 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 RAW_FILE_NAME(Raw file name Metabolomics POS)=53_8-19-2023_G-E4_13196; RAW_FILE_NAME(Raw file name Metabolomics NEG)=53_8-21-2023_G-E4_13302; RAW_FILE_NAME(Raw file name Lipidomics POS)=53_8-23-2023_Left E4_13388 SUBJECT_SAMPLE_FACTORS - 54 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 RAW_FILE_NAME(Raw file name Metabolomics POS)=54_8-19-2023_G-E5_13182; RAW_FILE_NAME(Raw file name Metabolomics NEG)=54_8-21-2023_G-E5_13288; RAW_FILE_NAME(Raw file name Lipidomics POS)=54_8-23-2023_Left E5_13417 SUBJECT_SAMPLE_FACTORS - 55 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 RAW_FILE_NAME(Raw file name Metabolomics POS)=55_8-19-2023_G-E6_13160; RAW_FILE_NAME(Raw file name Metabolomics NEG)=55_8-20-2023_G-E6_13266; RAW_FILE_NAME(Raw file name Lipidomics POS)=55_8-22-2023_Left E6_13363 SUBJECT_SAMPLE_FACTORS - 56 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 RAW_FILE_NAME(Raw file name Metabolomics POS)=56_8-19-2023_G-E7_13188; RAW_FILE_NAME(Raw file name Metabolomics NEG)=56_8-21-2023_G-E7_13294; RAW_FILE_NAME(Raw file name Lipidomics POS)=56_8-23-2023_Left E7_13439 SUBJECT_SAMPLE_FACTORS - 57 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 RAW_FILE_NAME(Raw file name Metabolomics POS)=57_8-19-2023_G-E8_13169; RAW_FILE_NAME(Raw file name Metabolomics NEG)=57_8-21-2023_G-E8_13275; RAW_FILE_NAME(Raw file name Lipidomics POS)=57_8-23-2023_Left E8_13428 SUBJECT_SAMPLE_FACTORS - 58 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 RAW_FILE_NAME(Raw file name Metabolomics POS)=58_8-19-2023_G-E9_13166; RAW_FILE_NAME(Raw file name Metabolomics NEG)=58_8-20-2023_G-E9_13272; RAW_FILE_NAME(Raw file name Lipidomics POS)=58_8-23-2023_Left E9_13415 SUBJECT_SAMPLE_FACTORS - 59 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 RAW_FILE_NAME(Raw file name Metabolomics POS)=59_8-19-2023_G-E10_13153; RAW_FILE_NAME(Raw file name Metabolomics NEG)=59_8-20-2023_G-E10_13259; RAW_FILE_NAME(Raw file name Lipidomics POS)=59_8-22-2023_Left E10_13362 SUBJECT_SAMPLE_FACTORS - 60 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 RAW_FILE_NAME(Raw file name Metabolomics POS)=60_8-20-2023_G-E11_13218; RAW_FILE_NAME(Raw file name Metabolomics NEG)=60_8-21-2023_G-E11_13324; RAW_FILE_NAME(Raw file name Lipidomics POS)=60_8-23-2023_Left E11_13429 SUBJECT_SAMPLE_FACTORS - 61 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 RAW_FILE_NAME(Raw file name Metabolomics POS)=61_8-19-2023_G-E12_13203; RAW_FILE_NAME(Raw file name Metabolomics NEG)=61_8-21-2023_G-E12_13309; RAW_FILE_NAME(Raw file name Lipidomics POS)=61_8-23-2023_Left E12_13374 SUBJECT_SAMPLE_FACTORS - 62 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 RAW_FILE_NAME(Raw file name Metabolomics POS)=62_8-19-2023_G-F1_13201; RAW_FILE_NAME(Raw file name Metabolomics NEG)=62_8-21-2023_G-F1_13307; RAW_FILE_NAME(Raw file name Lipidomics POS)=62_8-23-2023_Left F1_13437 SUBJECT_SAMPLE_FACTORS - 63 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 RAW_FILE_NAME(Raw file name Metabolomics POS)=63_8-19-2023_G-F2_13157; RAW_FILE_NAME(Raw file name Metabolomics NEG)=63_8-20-2023_G-F2_13263; RAW_FILE_NAME(Raw file name Lipidomics POS)=63_8-23-2023_Left F2_13376 SUBJECT_SAMPLE_FACTORS - 64 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 RAW_FILE_NAME(Raw file name Metabolomics POS)=64_8-19-2023_G-F3_13150; RAW_FILE_NAME(Raw file name Metabolomics NEG)=64_8-20-2023_G-F3_13256; RAW_FILE_NAME(Raw file name Lipidomics POS)=64_8-23-2023_Left F3_13395 SUBJECT_SAMPLE_FACTORS - 65 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 RAW_FILE_NAME(Raw file name Metabolomics POS)=65_8-19-2023_G-F4_13158; RAW_FILE_NAME(Raw file name Metabolomics NEG)=65_8-20-2023_G-F4_13264; RAW_FILE_NAME(Raw file name Lipidomics POS)=65_8-23-2023_Left F4_13399 SUBJECT_SAMPLE_FACTORS - 66 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 RAW_FILE_NAME(Raw file name Metabolomics POS)=66_8-18-2023_G-F5_13132; RAW_FILE_NAME(Raw file name Metabolomics NEG)=66_8-20-2023_G-F5_13238; RAW_FILE_NAME(Raw file name Lipidomics POS)=66_8-23-2023_Left F5_13441 SUBJECT_SAMPLE_FACTORS - 67 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 RAW_FILE_NAME(Raw file name Metabolomics POS)=67_8-19-2023_G-F6_13205; RAW_FILE_NAME(Raw file name Metabolomics NEG)=67_8-21-2023_G-F6_13311; RAW_FILE_NAME(Raw file name Lipidomics POS)=67_8-22-2023_Left F6_13361 SUBJECT_SAMPLE_FACTORS - 68 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 RAW_FILE_NAME(Raw file name Metabolomics POS)=68_8-19-2023_G-F7_13195; RAW_FILE_NAME(Raw file name Metabolomics NEG)=68_8-21-2023_G-F7_13301; RAW_FILE_NAME(Raw file name Lipidomics POS)=68_8-23-2023_Left F7_13431 SUBJECT_SAMPLE_FACTORS - 69 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 RAW_FILE_NAME(Raw file name Metabolomics POS)=69_8-19-2023_G-F8_13173; RAW_FILE_NAME(Raw file name Metabolomics NEG)=69_8-21-2023_G-F8_13279; RAW_FILE_NAME(Raw file name Lipidomics POS)=69_8-23-2023_Left F8_13400 SUBJECT_SAMPLE_FACTORS - 71 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 RAW_FILE_NAME(Raw file name Metabolomics POS)=71_8-19-2023_G-F9_13187; RAW_FILE_NAME(Raw file name Metabolomics NEG)=71_8-21-2023_G-F9_13293; RAW_FILE_NAME(Raw file name Lipidomics POS)=71_8-23-2023_Left F9_13390 SUBJECT_SAMPLE_FACTORS - 72 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 RAW_FILE_NAME(Raw file name Metabolomics POS)=72_8-19-2023_G-F10_13181; RAW_FILE_NAME(Raw file name Metabolomics NEG)=72_8-21-2023_G-F10_13287; RAW_FILE_NAME(Raw file name Lipidomics POS)=72_8-24-2023_Left F10_13443 SUBJECT_SAMPLE_FACTORS - 73 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 RAW_FILE_NAME(Raw file name Metabolomics POS)=73_8-19-2023_G-F11_13144; RAW_FILE_NAME(Raw file name Metabolomics NEG)=73_8-20-2023_G-F11_13250; RAW_FILE_NAME(Raw file name Lipidomics POS)=73_8-22-2023_Left F11_13358 SUBJECT_SAMPLE_FACTORS - 74 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 RAW_FILE_NAME(Raw file name Metabolomics POS)=74_8-19-2023_G-F12_13212; RAW_FILE_NAME(Raw file name Metabolomics NEG)=74_8-21-2023_G-F12_13318; RAW_FILE_NAME(Raw file name Lipidomics POS)=74_8-23-2023_Left F12_13378 SUBJECT_SAMPLE_FACTORS - 75 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 RAW_FILE_NAME(Raw file name Metabolomics POS)=75_8-19-2023_G-G1_13152; RAW_FILE_NAME(Raw file name Metabolomics NEG)=75_8-20-2023_G-G1_13258; RAW_FILE_NAME(Raw file name Lipidomics POS)=75_8-22-2023_Left G1_13359 SUBJECT_SAMPLE_FACTORS - 76 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 RAW_FILE_NAME(Raw file name Metabolomics POS)=76_8-19-2023_G-G2_13154; RAW_FILE_NAME(Raw file name Metabolomics NEG)=76_8-20-2023_G-G2_13260; RAW_FILE_NAME(Raw file name Lipidomics POS)=76_8-23-2023_Left G2_13430 SUBJECT_SAMPLE_FACTORS - 77 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 RAW_FILE_NAME(Raw file name Metabolomics POS)=77_8-18-2023_G-G3_13138; RAW_FILE_NAME(Raw file name Metabolomics NEG)=77_8-20-2023_G-G3_13244; RAW_FILE_NAME(Raw file name Lipidomics POS)=77_8-23-2023_Left G3_13380 SUBJECT_SAMPLE_FACTORS - 78 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 RAW_FILE_NAME(Raw file name Metabolomics POS)=78_8-19-2023_G-G4_13209; RAW_FILE_NAME(Raw file name Metabolomics NEG)=78_8-21-2023_G-G4_13315; RAW_FILE_NAME(Raw file name Lipidomics POS)=78_8-23-2023_Left G4_13406 SUBJECT_SAMPLE_FACTORS - 79 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 RAW_FILE_NAME(Raw file name Metabolomics POS)=79_8-19-2023_G-G5_13159; RAW_FILE_NAME(Raw file name Metabolomics NEG)=79_8-20-2023_G-G5_13265; RAW_FILE_NAME(Raw file name Lipidomics POS)=79_8-22-2023_Left G5_13344 SUBJECT_SAMPLE_FACTORS - 80 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 RAW_FILE_NAME(Raw file name Metabolomics POS)=80_8-19-2023_G-G6_13155; RAW_FILE_NAME(Raw file name Metabolomics NEG)=80_8-20-2023_G-G6_13261; RAW_FILE_NAME(Raw file name Lipidomics POS)=80_8-23-2023_Left G6_13418 SUBJECT_SAMPLE_FACTORS - 81 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 RAW_FILE_NAME(Raw file name Metabolomics POS)=81_8-19-2023_G-G7_13200; RAW_FILE_NAME(Raw file name Metabolomics NEG)=81_8-21-2023_G-G7_13306; RAW_FILE_NAME(Raw file name Lipidomics POS)=81_8-23-2023_Left G7_13408 SUBJECT_SAMPLE_FACTORS - 82 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 RAW_FILE_NAME(Raw file name Metabolomics POS)=82_8-19-2023_G-G8_13197; RAW_FILE_NAME(Raw file name Metabolomics NEG)=82_8-21-2023_G-G8_13303; RAW_FILE_NAME(Raw file name Lipidomics POS)=82_8-23-2023_Left G8_13372 SUBJECT_SAMPLE_FACTORS - 83 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 RAW_FILE_NAME(Raw file name Metabolomics POS)=83_8-19-2023_G-G9_13193; RAW_FILE_NAME(Raw file name Metabolomics NEG)=83_8-21-2023_G-G9_13299; RAW_FILE_NAME(Raw file name Lipidomics POS)=83_8-23-2023_Left G9_13402 SUBJECT_SAMPLE_FACTORS - 84 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 RAW_FILE_NAME(Raw file name Metabolomics POS)=84_8-18-2023_G-G10_13133; RAW_FILE_NAME(Raw file name Metabolomics NEG)=84_8-20-2023_G-G10_13239; RAW_FILE_NAME(Raw file name Lipidomics POS)=84_8-24-2023_Left G10_13444 SUBJECT_SAMPLE_FACTORS - 85 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 RAW_FILE_NAME(Raw file name Metabolomics POS)=85_8-19-2023_G-G11_13170; RAW_FILE_NAME(Raw file name Metabolomics NEG)=85_8-21-2023_G-G11_13276; RAW_FILE_NAME(Raw file name Lipidomics POS)=85_8-22-2023_Left G11_13351 SUBJECT_SAMPLE_FACTORS - 86 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 RAW_FILE_NAME(Raw file name Metabolomics POS)=86_8-18-2023_G-G12_13128; RAW_FILE_NAME(Raw file name Metabolomics NEG)=86_8-20-2023_G-G12_13234; RAW_FILE_NAME(Raw file name Lipidomics POS)=86_8-22-2023_Left G12_13353 SUBJECT_SAMPLE_FACTORS - 87 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 RAW_FILE_NAME(Raw file name Metabolomics POS)=87_8-19-2023_G-H1_13208; RAW_FILE_NAME(Raw file name Metabolomics NEG)=87_8-21-2023_G-H1_13314; RAW_FILE_NAME(Raw file name Lipidomics POS)=87_8-23-2023_Left H1_13377 SUBJECT_SAMPLE_FACTORS - 88 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 RAW_FILE_NAME(Raw file name Metabolomics POS)=88_8-19-2023_G-H2_13143; RAW_FILE_NAME(Raw file name Metabolomics NEG)=88_8-20-2023_G-H2_13249; RAW_FILE_NAME(Raw file name Lipidomics POS)=88_8-23-2023_Left H2_13407 SUBJECT_SAMPLE_FACTORS - 89 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 RAW_FILE_NAME(Raw file name Metabolomics POS)=89_8-18-2023_G-H3_13124; RAW_FILE_NAME(Raw file name Metabolomics NEG)=89_8-20-2023_G-H3_13230; RAW_FILE_NAME(Raw file name Lipidomics POS)=89_8-23-2023_Left H3_13427 SUBJECT_SAMPLE_FACTORS - 90 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 RAW_FILE_NAME(Raw file name Metabolomics POS)=90_8-18-2023_G-H4_13134; RAW_FILE_NAME(Raw file name Metabolomics NEG)=90_8-20-2023_G-H4_13240; RAW_FILE_NAME(Raw file name Lipidomics POS)=90_8-23-2023_Left H4_13375 SUBJECT_SAMPLE_FACTORS - 92 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 RAW_FILE_NAME(Raw file name Metabolomics POS)=92_8-19-2023_G-H6_13146; RAW_FILE_NAME(Raw file name Metabolomics NEG)=92_8-20-2023_G-H6_13252; RAW_FILE_NAME(Raw file name Lipidomics POS)=92_8-23-2023_Left H6_13436 SUBJECT_SAMPLE_FACTORS - 93 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 RAW_FILE_NAME(Raw file name Metabolomics POS)=93_8-19-2023_G-H7_13217; RAW_FILE_NAME(Raw file name Metabolomics NEG)=93_8-21-2023_G-H7_13323; RAW_FILE_NAME(Raw file name Lipidomics POS)=93_8-23-2023_Left H7_13435 SUBJECT_SAMPLE_FACTORS - 94 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 RAW_FILE_NAME(Raw file name Metabolomics POS)=94_8-19-2023_G-H8_13177; RAW_FILE_NAME(Raw file name Metabolomics NEG)=94_8-21-2023_G-H8_13283; RAW_FILE_NAME(Raw file name Lipidomics POS)=94_8-23-2023_Left H8_13403 #COLLECTION CO:COLLECTION_SUMMARY Honey bee queens and their eggs were sampled from colonies in the field in 2021. CO:COLLECTION_SUMMARY Samples were collected twice from the two British Columbia beekeepers (in Grand CO:COLLECTION_SUMMARY Forks and Vernon), first on May 14 & 15 and then again on June 15 & 16, and CO:COLLECTION_SUMMARY collected from a Lethbridge, Alberta, beekeeper on June 27 & 28. At each time CO:COLLECTION_SUMMARY point, 10 eggs still standing on end (not fallen onto their side, which is CO:COLLECTION_SUMMARY indicative of older eggs close to hatching) were collected using a Chinese CO:COLLECTION_SUMMARY grafting tool and transferred to Eppendorf tubes. All samples were collected CO:COLLECTION_SUMMARY directly onto dry-ice and subsequently stored at -70 °C until processing. CO:SAMPLE_TYPE Eggs CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY No treatment (collection time is of interest and no treatment was administered) #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Eppendorf tubes containing 10 eggs each were centrifuged for 1 min at 14,000 rcf SP:SAMPLEPREP_SUMMARY immediately upon removal from the freezer freezer followed by a two-phase SP:SAMPLEPREP_SUMMARY extraction protocol adapted from Matyash et al. (2008) with some modifications. SP:SAMPLEPREP_SUMMARY Briefly, 100 μL of methanol extraction solvent (75% methanol:water, made with SP:SAMPLEPREP_SUMMARY 0.01% BHT-methanol and containing standards of methionine-d3, caffeine-13C3, and SP:SAMPLEPREP_SUMMARY ferulic acid-d3 each at 1 ppm and SPLASH LIPIDOMIX (Avanti Polar Lipids, SP:SAMPLEPREP_SUMMARY Alabama, USA) at 5 ppm) was added. The eggs were then ground with a mini-pestle SP:SAMPLEPREP_SUMMARY to lyse the eggs. The tubes were thoroughly vortexed, and samples were SP:SAMPLEPREP_SUMMARY transferred to a 2 mL screw cap tube homogenizer tube. Another 100 μL of SP:SAMPLEPREP_SUMMARY extraction solvent was used to rinse the original tube and was also transferred SP:SAMPLEPREP_SUMMARY to the homogenization tube to increase yields. 2 ceramic beads were then added SP:SAMPLEPREP_SUMMARY and samples were homogenized three times for 30 seconds at 6500 rpm as described SP:SAMPLEPREP_SUMMARY for proteomics sample processing. 500 μL of methyl tert-butyl ether was then SP:SAMPLEPREP_SUMMARY added and samples were incubated for 1 hour at room temperature while shaking at SP:SAMPLEPREP_SUMMARY 1000 rpm. The mixture was transferred to a new tube and centrifuged at 14,000 SP:SAMPLEPREP_SUMMARY rcf for 10 min. 600 μL was transferred to a new tube to which 107 μL of water SP:SAMPLEPREP_SUMMARY was added (to a final additional concentration of 15%) before incubating again SP:SAMPLEPREP_SUMMARY at room temperature for 10 minutes while shaking at 700 rpm. The samples were SP:SAMPLEPREP_SUMMARY then centrifuged for 15 min at 14000 rcf at 4C. 300 μL of the upper fraction SP:SAMPLEPREP_SUMMARY containing the non-polar (lipid) compounds were transferred to a new tube, while SP:SAMPLEPREP_SUMMARY 400 μL of the lower fraction containing the polar (metabolite) compounds were SP:SAMPLEPREP_SUMMARY transferred to a different tube. The polar fraction was dried (SpeedVac, SP:SAMPLEPREP_SUMMARY Eppendorf) immediately and stored at -70 °C until mass spectrometry analysis. SP:SAMPLEPREP_SUMMARY The non-polar fraction was stored in solution at -70 °C and dried immediately SP:SAMPLEPREP_SUMMARY before analysis to prevent oxidation. SP:PROCESSING_STORAGE_CONDITIONS On ice #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Metabolomics with Inertsil Ph-3 UHPLC column (2 µm, 150 x 2.1 mm, GL Sciences) CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME GL Sciences Inertsil Ph-3 UHPLC (150 x 2.1mm, 2um) CH:SOLVENT_A 100% water; 0.1% formic acid; 10 mM ammonium acetate; 5 µM medronic acid CH:SOLVENT_B 100% methanol; 0.1% formic acid CH:FLOW_GRADIENT 0 min (5% B), 0–1 min (5% B), 1–8 min (35% B), 8–10.5 min (99% B), CH:FLOW_GRADIENT 10.5–14 min (99% B), 14–14.5 min (5% B), and 14.5–18 min (5% B) CH:FLOW_RATE 0.3 mL/min CH:COLUMN_TEMPERATURE 55 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Bruker Impact II MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS Data-dependent acquisitions were performed in positive ionization mode (ESI+) to MS:MS_COMMENTS obtain precursor and fragment ion information for compound annotation. The mass MS:MS_COMMENTS spectrometer settings were as follows: capillary voltage of 4,500 V, nebulizer MS:MS_COMMENTS gas pressure of 2.0 bar, dry gas flow rate of 9 L/min, dry gas temperature of MS:MS_COMMENTS 220°C, mass scan range of 65–1,700 m/z, spectral acquisition rate of 3 Hz, MS:MS_COMMENTS and cycle time of 0.7 s. Collision energy of 20 V was ramped through each MS/MS MS:MS_COMMENTS scan from 100% to 250%. Calibration was carried out by injecting 10 µL of 10 mM MS:MS_COMMENTS sodium formate at the beginning of each run via the 6-port diverter valve. The MS:MS_COMMENTS raw data was processed using Progenesis QI™ software (version V3.0.7600.27622) MS:MS_COMMENTS with METLIN™ plugin (version V1.0.7642.33805, NonLinear Dynamics). This MS:MS_COMMENTS involved peak picking, alignment, deconvolution, normalization, and database MS:MS_COMMENTS searching. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Relative Abundance MS_METABOLITE_DATA_START Samples 1 2 3 4 5 6 7 8 9 10 11 12 13 15 17 18 19 20 21 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 92 93 94 Factors Sample source:honey bee egg | Treatment:Beekeeper1-May14 Sample source:honey bee egg | Treatment:Beekeeper1-May14 Sample source:honey bee egg | Treatment:Beekeeper1-May14 Sample source:honey bee egg | Treatment:Beekeeper1-May14 Sample source:honey bee egg | Treatment:Beekeeper1-May14 Sample source:honey bee egg | Treatment:Beekeeper1-May14 Sample source:honey bee egg | Treatment:Beekeeper1-May14 Sample source:honey bee egg | Treatment:Beekeeper1-May14 Sample source:honey bee egg | Treatment:Beekeeper1-May14 Sample source:honey bee egg | Treatment:Beekeeper1-May14 Sample source:honey bee egg | Treatment:Beekeeper2-May15 Sample source:honey bee egg | Treatment:Beekeeper2-May15 Sample source:honey bee egg | Treatment:Beekeeper2-May15 Sample source:honey bee egg | Treatment:Beekeeper2-May15 Sample source:honey bee egg | Treatment:Beekeeper2-May15 Sample source:honey bee egg | Treatment:Beekeeper2-May15 Sample source:honey bee egg | Treatment:Beekeeper2-May15 Sample source:honey bee egg | Treatment:Beekeeper2-May15 Sample source:honey bee egg | Treatment:Beekeeper2-May15 Sample source:honey bee egg | Treatment:Beekeeper1-Jun15 Sample source:honey bee egg | Treatment:Beekeeper1-Jun15 Sample source:honey bee egg | Treatment:Beekeeper1-Jun15 Sample source:honey bee egg | Treatment:Beekeeper1-Jun15 Sample source:honey bee egg | Treatment:Beekeeper1-Jun15 Sample source:honey bee egg | Treatment:Beekeeper1-Jun15 Sample source:honey bee egg | Treatment:Beekeeper2-Jun16 Sample source:honey bee egg | Treatment:Beekeeper2-Jun16 Sample source:honey bee egg | Treatment:Beekeeper2-Jun16 Sample source:honey bee egg | Treatment:Beekeeper2-Jun16 Sample source:honey bee egg | Treatment:Beekeeper2-Jun16 Sample source:honey bee egg | Treatment:Beekeeper2-Jun16 Sample source:honey bee egg | Treatment:Beekeeper2-Jun16 Sample source:honey bee egg | Treatment:Beekeeper2-Jun16 Sample source:honey bee egg | Treatment:Beekeeper2-Jun16 Sample source:honey bee egg | Treatment:Beekeeper2-Jun16 Sample source:honey bee egg | Treatment:Beekeeper2-Jun16 Sample source:honey bee egg | Treatment:Beekeeper2-Jun16 Sample source:honey bee egg | Treatment:Beekeeper2-Jun16 Sample source:honey bee egg | Treatment:Beekeeper2-Jun16 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 Sample source:honey bee egg | Treatment:Beekeeper3-Jun27 10-hydroxy-2E-decenoic acid 292.2367596 285.8242541 316.4818589 289.6100312 297.1840438 394.6440461 245.2071212 291.1751895 290.8714194 321.5021317 294.0892686 785.8100252 283.5577969 271.308966 347.426728 252.7901507 279.5622488 273.341864 290.9357857 336.2930545 251.7376787 286.1604408 863.1509711 743.0362571 899.5311302 909.2342788 450.3312459 334.0816654 357.0927062 355.18583 326.6841323 329.6916906 309.3881774 264.4035592 265.2975524 252.6922475 303.0938776 237.3531286 305.7693572 290.21179 324.0609003 331.1919646 243.9071924 261.2273123 275.368973 272.9132055 272.4520838 581.2159997 296.8285067 321.5256951 357.3641448 344.2112477 355.8357885 716.1304133 588.4082249 346.6198529 309.2655706 317.1525145 324.1153528 273.4317072 316.7363072 326.4591658 313.2082469 225.3740872 320.7944658 268.6542149 268.7305847 379.0377544 307.7008224 387.9612547 397.96871 287.2629372 419.8724493 322.4371061 321.0940965 306.7703169 435.031643 327.5945471 306.311226 288.8071787 291.8308728 278.5965541 349.6033928 406.8842994 10-Hydroxydecanoic acid 210.549757 243.7930433 238.3408771 228.0699789 358.7258631 202.3709075 172.2268709 211.3844828 246.7351934 389.917726 325.5393461 619.1407972 220.8389408 211.159437 211.971421 223.017311 307.4038469 249.0030236 299.202703 325.6462283 317.7796675 307.9832762 538.2957505 548.8156147 450.4635891 561.8211583 377.6366971 217.8823361 239.9330743 303.8660943 411.5809183 376.4083941 451.8285681 224.7906099 192.8790483 206.7534055 234.5189735 169.4106807 221.0640966 326.3506179 261.5537125 450.001025 332.6317097 203.3385142 204.3409204 474.6425286 440.3578319 592.8128544 407.693439 420.9831978 417.7367753 427.9968891 376.2097701 523.0147004 547.0287206 452.4999205 487.3335599 306.6373837 222.2444173 360.55207 392.3778245 369.5008682 436.6317329 224.7985871 458.6910726 417.5404666 319.5280111 291.7590745 419.6835055 459.6683079 502.1327289 381.4518461 384.9301928 342.6425129 327.5985784 448.0391292 455.3130593 396.5175237 402.2051054 349.5197186 413.7496774 393.1080671 527.3950039 503.1146987 12-Hydroxydodecanoic acid 444.9039112 502.6011188 498.8267086 451.7449735 640.0078105 489.8504575 445.9935291 469.0932515 466.2248995 857.796098 792.2854604 526.9078305 492.248136 506.8920059 557.8668494 476.0541464 725.0990915 519.3183703 746.9713024 823.057354 741.0545744 732.2470073 532.7785571 854.9778545 484.0470753 793.4465003 709.8631264 468.8446185 540.5501807 488.2938722 758.5558454 754.3758183 950.9668703 491.1120898 489.7682694 477.4059596 506.7874032 433.7174519 435.2887251 666.7881641 501.6900049 852.9905551 772.0479404 488.8103388 503.3225793 827.2891773 919.1894312 1129.018295 869.0457193 877.2940516 817.7381376 818.5027203 1027.265964 874.5260735 1017.879998 882.2304136 799.7038301 680.6913534 478.1702909 947.1687059 798.9754385 884.7894077 905.8867939 446.1985696 1038.933922 844.8334763 815.9794438 644.5990352 1012.842867 836.7672336 831.6940989 864.5902839 729.4984447 854.6740122 692.9949245 908.584143 826.8976738 844.9774845 832.690733 674.9420309 899.7868464 908.2233001 1058.150448 928.6417841 12-Hydroxyoctadecanoic acid 6806.690577 5873.512045 6197.92881 5824.175282 6691.897367 5514.109196 6670.592974 5985.238788 6028.658448 7559.870326 6328.292601 5684.404842 5742.706335 5879.562649 5629.848788 9880.338547 5992.358554 5538.661685 5674.439019 7427.926154 9395.611496 8805.174736 9587.924135 7586.434459 7735.044248 7969.314196 8273.819524 5764.077438 11021.75254 5755.913619 13046.24869 6372.249815 9603.782562 8767.289984 8950.297379 8708.180373 16359.50029 7618.682862 20042.6642 8604.829683 10843.66589 8256.711318 8665.191426 17442.93487 5821.030306 10301.20462 9332.698327 11279.7216 10084.94881 11718.11102 12037.92136 9911.90459 10359.47934 10347.04729 8710.763314 11003.84534 14442.80091 11350.57716 5793.60688 14030.94361 9093.394487 9905.059735 7967.931257 5945.506984 11445.1429 10859.42692 12409.85335 13060.77304 10425.61917 12241.0599 12401.70322 10191.8304 12788.38678 9513.052366 10896.93742 11469.03495 11718.87 11018.00646 16166.64783 13910.40021 13865.45863 12928.02847 11726.32841 13183.86136 1-Heneicosanoyl-glycero-3-phosphoserine 20829.77377 9862.519387 2849.117885 10598.67454 9257.254478 4817.359914 4502.912821 6434.596771 4222.259267 9646.621537 12316.62211 23893.25616 2949.110916 11041.20907 7773.261147 12281.24349 4207.165271 15135.10822 6316.44215 6433.220689 5749.929249 24854.57561 5827.260069 7916.438918 9206.248579 15588.55554 15087.76766 14348.14851 16301.66085 9130.033512 20460.61871 12891.62763 10749.13732 4445.332252 13515.79463 14087.99584 8797.146917 6457.179129 7100.733021 11272.09671 7412.100773 2877.3388 5383.124403 5403.970571 12471.32773 12712.74845 21512.70805 35854.62402 23226.88734 20794.94669 36325.01745 21823.11746 10298.54842 8032.996599 6727.280079 16186.6379 13355.24264 16873.13969 15559.19486 28241.54309 20131.80424 15570.58108 17456.57108 1360.781108 19641.62925 9177.601412 24976.07428 14455.84544 12588.45742 14611.8014 14935.3354 23105.18846 24411.83456 15389.7263 16810.17038 12346.17188 11824.72345 24137.32079 30810.83481 25708.66315 79587.46678 29950.64145 27274.51564 46795.88181 2,2-Dimethyl-5-hydroxy-1-pyrrolidinyloxy 12622.63364 11838.46852 15222.96761 12241.29012 10997.48324 11746.63929 14076.38597 12193.55261 11886.11777 15565.59981 12378.69667 11347.43547 11902.63445 10128.09579 8791.114922 11326.7325 7970.311135 12350.7936 9248.615881 10229.82098 14326.07017 11126.57049 12458.93946 8500.719989 18189.58632 11103.80013 10128.88075 13373.73144 8287.231895 10906.34782 11221.70596 4639.937822 8074.855211 9639.05426 12263.87507 18947.23378 10394.99722 14135.27894 9290.704428 13139.13816 12431.37194 12632.69018 11601.16414 10670.08827 10233.34053 11655.38033 12985.44326 12295.85652 11267.31128 8947.329342 7928.299253 7970.862 9363.016524 11159.54236 9261.022335 13099.07956 11561.89457 9241.077566 8073.707422 10347.93708 8360.361285 8732.356207 9952.984121 2136.918883 13993.47269 9812.997414 12796.51464 12184.59222 10657.83473 11821.16382 13454.79452 8811.649342 13937.19363 8290.315063 12305.91169 9354.963867 9395.05541 10225.27028 18738.85039 12997.86213 13671.20692 13412.9133 9780.013694 12433.60151 2'-Deoxyinosine-5'-monophosphate 3787.161595 3873.689787 1909.358491 2091.742333 1847.170363 4273.509032 2808.359538 3985.633378 5761.604434 3927.648528 2656.968918 2504.718165 4001.782562 3195.075564 6144.063716 2018.272982 4134.735144 2077.18819 2980.148135 3462.505257 4420.674337 2633.018605 1792.244008 4300.718407 2214.815367 5293.619153 4428.222719 6638.005088 7273.069611 5070.485459 2343.83226 5696.969888 3939.106892 4385.599581 1952.490057 4421.466854 5903.909372 5044.529815 1997.358289 2119.563773 2121.493558 1766.373774 2447.211923 1961.347789 5067.648105 3551.62275 2721.30388 3348.118125 3256.18766 4068.915317 3431.604159 2257.253388 5886.770856 1876.666672 1075.067577 2497.181598 5944.325113 3131.641767 5955.260011 2402.132518 1871.342389 3628.562653 2405.817235 388.2534539 3046.294045 6237.625569 3645.124063 4672.637719 5299.420844 5149.005949 3732.815675 10124.65783 5783.422919 4064.647752 4779.389388 2215.758149 3653.831319 3475.812113 7339.199136 3914.010819 4949.135993 2957.956277 3138.498876 4722.695301 3,4-Dihydroxyphenyl ethanol 2988.659523 263.4244831 41.13032586 109.3386732 49.06186104 1062.469085 248.194648 294.6090789 926.920712 151.4021181 104.829574 130.1545028 1156.477521 283.4578457 1911.745632 44.85071741 246.9169566 49.74481666 467.2708445 755.6656356 1778.76189 963.8212694 50.6058387 1751.795244 42.07472835 1595.80913 3015.542508 1260.762726 4107.788808 688.3526565 294.770298 833.4899567 753.2192532 1686.445291 42.07997898 1055.242036 3544.852956 1439.268715 66.05364872 37.48365173 44.5517362 37.86376573 367.0943416 45.91275781 1630.608235 40.07190237 52.29799905 143.0003656 2112.543185 250.7343406 1009.12592 54.20836793 2036.625222 72.72993103 47.07985971 40.64237112 3733.787132 1548.677294 2038.503895 54.1316861 264.5737041 530.2092079 59.01105087 118.4176617 217.6299798 2198.866093 100.024498 1377.695913 1385.860179 880.5009192 706.5408392 1654.631963 2758.758497 1664.486842 339.4753524 56.12131898 585.5118669 389.2941073 3772.994835 2075.038952 1437.378583 540.1382935 452.0744948 389.562852 Aminobutyric acid 3067.864444 2772.376674 3901.926515 3015.885216 3114.462632 2709.200028 3356.227431 2884.948902 4049.221433 4240.797012 2631.183358 4225.939498 3517.872276 3568.34363 1688.435651 2653.008109 2339.364299 2987.035212 1955.462879 2297.425472 4115.18372 2087.045654 3123.871825 2243.133306 4609.920369 2486.630036 3937.120272 5039.935144 2298.641052 3433.279351 3061.967579 1825.163242 2807.526229 2051.116234 2740.381236 4230.557611 2490.408147 3883.365955 2355.13643 3773.163197 2982.800732 2426.069421 2946.577356 2301.320344 3100.825855 3087.885589 3266.909056 3139.750115 3373.014459 3607.705826 3292.79282 1623.548141 2652.863429 2251.119564 2633.644658 4665.112252 3385.750317 4104.257638 2642.02769 3434.6371 2886.055536 2581.716963 2751.571616 216.8944028 2270.687381 2959.504825 4188.782349 4443.096213 2585.698204 4274.295147 3423.878226 3104.05994 2781.239629 2091.285341 4631.632051 2998.516875 4001.386643 2976.687474 5557.59229 4475.660649 5093.161034 3407.045656 2244.198054 3759.772934 Arginine 3498.151983 6229.652694 5818.8042 6656.493665 6856.30909 6289.972862 4653.262302 6102.133651 4342.148146 7483.909218 7756.815831 7302.368527 5930.232309 6751.846032 4374.827024 7060.879454 4603.812604 5929.864242 4543.873281 5597.708114 6286.733187 6914.492789 8538.179136 5198.598642 6341.196171 6554.894253 4967.344529 6914.790914 4526.825078 6501.371815 8063.980343 5626.464281 5000.237764 4716.209374 7370.404446 8138.6468 3592.868239 5261.675095 6254.097274 7956.279982 8412.787071 7930.157149 5957.446075 8296.531585 6434.243831 7537.927211 6740.008428 6906.431711 5276.93222 7617.990035 7037.688459 6366.019177 6199.135805 6967.843583 6156.450425 8870.47297 4531.114739 6638.210536 6832.751562 10120.59196 5792.954108 5512.2879 6360.187964 1318.111291 6281.789314 4457.575782 8254.095384 6413.046772 6653.276079 8341.378744 6510.043934 6337.195606 7615.964774 3754.416785 6336.606267 6496.275972 4538.03224 7343.824188 7182.861756 5917.3842 6033.321507 6956.343867 5600.943973 7300.708079 Asparagine 3957.316656 2249.166465 1755.189882 2091.222933 1867.43921 2418.433653 2558.921499 1849.363429 2959.383228 2456.461843 1942.992935 2390.666991 2842.621786 2591.326367 2507.782769 2263.019962 1585.843374 1618.132425 2173.949991 1765.782897 3138.830131 1888.192642 1481.485733 2003.877441 2849.209273 2628.311156 1934.827336 3650.979474 2120.988231 2721.316728 1911.987828 1673.295859 2628.117088 1912.449297 1620.645354 4736.43934 2861.568775 3716.024659 1840.043241 1710.42719 2006.119696 1308.463147 2087.536548 1221.71508 2674.524453 2318.195676 2558.421605 2965.910141 3227.002464 1832.661782 2387.07708 1270.938505 2585.359287 1601.994669 1466.084138 2026.307903 2842.556999 2699.289755 3788.51942 1618.947993 2437.876727 1927.071141 2230.383989 382.6948039 1998.013348 2490.537325 2433.352849 3167.187436 2200.922808 2952.96668 2579.932596 2770.481324 3283.037065 1819.18051 4342.440837 1400.59068 3064.262567 2008.648414 4776.329797 5082.701867 3802.496618 2691.084223 2521.172562 3391.446478 Aspartic acid 14151.61883 12321.76802 19381.85692 15659.76306 13538.232 7939.036185 12994.05958 9721.513196 11485.34242 12685.65365 10748.83667 12670.01097 12843.87934 10194.13185 6446.195042 10766.2259 10278.03328 12104.63723 7777.597268 9453.000118 13549.95397 12447.34713 13499.00373 9347.030749 18689.19091 11884.86124 14015.24655 14568.5467 8722.433587 11025.08772 10584.94091 8933.742663 7943.46198 8367.916011 13613.38936 27086.28623 9496.226319 16245.23595 8215.057464 10857.08139 14028.56569 11669.94243 11107.68955 6794.072818 10418.62886 12678.03595 11053.3388 9744.51415 11282.19167 9524.81687 13261.33852 6155.425303 8830.10595 7847.825603 7183.188464 13667.08797 17501.55762 16485.65659 10254.53237 9296.734987 11865.91692 8076.33048 12590.57467 596.0648842 9292.750208 9150.001068 15178.61695 13889.74509 10881.41033 18118.61816 11198.2751 11937.31783 6717.080981 8024.327339 17691.61311 11381.86035 11822.38338 8762.377792 16017.28244 16229.52556 13271.51912 16360.34904 11808.31181 17810.39691 Benzothiazolesulfonic acid 1003.996978 1349.256119 601.6749324 890.5498269 785.9659842 918.0026713 597.7444787 812.4639429 992.6583437 2351.98053 8354.462291 12646.80338 1278.211328 1741.551114 779.258974 930.9074715 13886.20653 7902.465667 467.4857102 2213.261236 529.1820239 663.4071836 849.9732966 593.2528063 576.1121265 567.4429789 487.5633773 472.5967696 1360.321173 575.7199705 485.2259243 521.2795138 459.0567797 681.754842 895.4141163 407.2766561 590.1084763 1088.883782 570.078061 890.1453508 717.575794 2791.399316 616.5275096 618.8194538 1902.15208 540.7223919 507.2348657 1011.530802 709.3219601 501.7557041 569.2147596 605.5381067 629.0804114 467.8919743 2063.702929 1198.939247 448.1565844 1183.891597 654.0087217 1230.796436 1022.989827 1073.582003 1149.115444 211.3107592 473.1075017 694.2024916 1123.298285 498.1688543 2928.74521 327.604987 466.713325 558.9385193 721.510796 522.1582839 411.74257 679.2993411 759.0615471 702.4510359 644.592349 683.4706182 783.6850353 652.2777822 596.1632324 459.2096195 CELLOBIOSE 31221.22761 7545.76768 4875.025987 16855.64146 8289.539866 6784.644602 5058.751034 6422.708495 9862.764096 8956.220363 5827.509439 5380.214008 5027.227893 4981.762475 18387.40989 8304.53165 6979.973543 8072.610768 15088.06063 9124.894542 5134.267544 5761.852152 6137.446613 10136.00938 4384.424851 6248.657031 18872.69352 12040.01276 16512.49121 9624.80845 9903.560651 35549.27956 5669.15785 7890.302018 4121.936584 5474.143255 11182.58172 7782.755634 15351.01928 6770.341762 12309.21551 8822.356577 9093.244105 16499.50918 9507.372973 21457.85983 10744.97261 10475.25531 9793.596039 8909.099867 9233.390803 21633.85464 10749.41305 6492.563441 7390.561923 27626.81856 15238.33358 12140.17994 64897.46301 11099.60888 36550.99341 12432.19481 26002.76799 10894.65911 8092.375197 11204.40108 6919.964578 7242.706558 6537.828863 20794.90152 9143.125293 23538.85339 13496.10209 23602.8055 48819.53074 8316.29809 13692.02311 11510.52011 11563.85063 7108.785777 10437.60549 11103.58187 53679.91679 11912.59168 CITRATE 4572.243878 6055.782217 6721.534856 5443.637658 4613.264807 5975.760278 5996.294396 6630.945939 6581.151129 4218.679005 3840.129535 3610.560776 7527.387039 5446.795693 5193.493427 5566.287067 3432.815766 4318.730503 6646.367936 5153.006907 6571.960746 4965.125376 6375.136439 4923.53151 7219.69531 4364.8948 5616.946752 7410.850148 6961.551359 3489.505191 5473.519585 6628.863289 5075.158271 6095.277205 3710.884868 6052.73975 4469.491924 5487.920456 5222.057409 4496.441479 6545.814578 3653.901088 4893.541902 5683.88598 4278.62506 5865.841341 5322.980468 5727.66211 7253.627478 7922.404533 7571.371498 5985.995565 7102.137565 5560.963413 2996.019643 3493.814194 7686.183996 7182.614497 7273.68742 3935.69264 4197.820437 2381.499101 3760.957694 971.8752272 5411.615106 4596.953104 5558.605319 8673.203991 3376.609362 7508.120315 6113.880377 8003.301441 3256.484013 4621.960677 7205.006512 5820.918632 5216.634901 5762.816533 7599.713037 4708.259284 6073.368848 5209.773009 3886.807586 8898.473939 Cyclohexanedicarboxylic acid 1712.755337 195.0796053 173.9418336 1580.113431 244.3353315 289.9019168 242.2497507 227.9299644 176.7248941 231.8768899 258.6100304 421.9340345 182.6406973 200.4324692 287.0823724 266.5649293 289.3018321 213.6092024 257.2725642 202.4302267 205.2094087 213.1111172 755.9807908 442.2373627 192.2413453 214.7601048 547.3613048 389.5882701 245.9675729 761.6825774 178.6321902 2718.813408 287.4188644 480.4451226 284.8798312 779.6261837 271.4161586 807.4902226 1556.695502 189.5771135 241.1545187 212.3942132 365.7380107 230.0827225 528.4859797 203.9938074 425.0745673 555.3838336 2264.32481 1226.430217 1637.861605 1991.996976 782.05351 363.6626459 189.8606862 206.6377186 681.2819006 2057.308075 469.6991461 248.6067367 1105.873904 371.642432 770.520757 148.9590491 213.6769126 181.3952398 217.6228526 226.5542077 651.7685571 1791.97633 479.0855162 3859.302879 196.5627181 2822.309718 3682.960161 997.7131618 822.0304451 1823.456813 612.8591776 760.5770378 340.0526254 596.3228566 268.86368 922.8070407 Cytidine 4000.621899 4450.029927 5674.356682 3944.630004 6751.707012 3403.069191 3341.92359 4302.470898 3699.017131 5008.080562 4935.004914 3006.671792 4600.245933 3624.160806 3913.377385 3361.285108 4771.10519 5855.106296 3040.876842 3111.793974 3122.923802 7312.845765 6629.214195 3113.917423 4747.439614 5913.48501 4165.535631 2892.473363 4938.609656 5675.539392 3826.054146 4531.143239 2493.226732 3913.13844 5723.114935 3842.340637 5044.659518 2349.197332 6402.480349 5571.998609 5920.777051 5378.039408 4569.857443 8227.199152 3850.522725 4390.218015 4118.673711 3582.317477 3524.138843 5262.612986 3549.790123 5208.735578 2510.00066 5821.989476 4858.102937 5935.891015 2862.298567 3308.716866 4872.084061 4297.464499 4473.273746 3857.929924 3604.620835 523.617896 4436.869439 2737.240149 3310.430695 4563.467215 2744.914698 3203.464789 3628.587587 3835.927404 8051.987429 3742.780496 3003.030195 5136.767812 1725.414252 4259.894359 4042.052334 3093.663034 3284.592243 3725.821614 3082.949029 4904.408699 Cytidine 5'-monophosphate 996.9743153 1374.830476 633.5254108 1174.260138 1055.687529 1251.685967 1223.669597 1345.040398 1748.919237 1010.804517 1150.18653 1273.297646 1670.325676 1143.956608 1126.038008 628.3441307 1370.365069 823.4255358 1085.744954 1652.274845 2041.460133 1814.930766 603.1024931 2123.72639 860.1337835 1803.372523 1024.433415 2308.805058 1298.646633 1468.324619 1592.937427 1132.586762 1572.999048 938.0248361 805.5084525 1117.984319 1493.593082 1061.909306 710.8410881 824.0549093 607.9007119 934.2542752 689.7757858 263.7255273 2039.286414 1014.579616 1619.365184 2122.350512 1880.363848 1490.956267 1696.443615 984.5804755 2173.682132 1017.611924 663.0446513 490.1066551 1385.478008 1243.482146 770.4280635 542.7433733 790.7985481 1310.180094 1091.426571 266.6897201 1311.219819 2035.512274 1656.684529 1311.035873 2372.68018 2105.678463 1248.626323 1471.681895 1258.651497 1159.100716 743.6086017 1074.842641 1663.931521 1643.496396 2465.313442 1664.707009 2332.517599 2048.68457 1214.917511 2191.828824 Deoxyguanosine 3304.449142 392.1611208 230.423161 364.1220445 236.1864244 730.1339572 386.5725279 504.7182294 1420.530341 455.9722878 378.0846672 454.3849228 698.2494522 564.6824104 1748.03683 297.7032006 679.5604798 294.3458627 853.9788281 750.8549456 882.1224423 1415.778503 279.1070901 1371.748799 269.5162722 1602.582266 1701.64251 1283.19419 3460.997484 771.0466136 436.7554049 644.3624644 721.4808501 1543.734373 311.73429 731.8498965 3630.378729 1578.089834 269.1317833 343.4429634 333.4857273 234.2709782 462.608641 211.7328872 1471.372424 422.8328699 299.9452844 488.4216927 3447.679658 894.9910586 715.4131503 276.4552765 1841.778175 250.4694809 167.6576361 322.4375422 2257.663543 676.6729845 1892.250618 402.3984427 821.223761 696.8463064 431.7925489 187.0631366 556.6499692 1463.59126 595.0452369 1692.711224 1225.730762 813.4508592 1065.734956 1492.414797 1584.263843 1737.569573 977.3356278 316.756689 699.9061718 723.9325858 2053.316522 2734.408663 928.7002648 883.7494081 1073.116553 813.2211761 Dicoumaroyl Spermidine 748.3192704 67.98900781 48.62662859 162.6222123 69.9992456 95.0675444 139.2898979 127.3411685 101.0651807 54.44467443 103.5329854 70.28079204 79.78222855 58.40236972 112.8467224 58.4964997 86.07157648 273.6081585 3360.413765 124.9169402 73.3749876 179.8474649 61.85574438 204.6643983 78.45572821 120.3675587 1064.028451 986.0243247 393.6686269 234.5823071 72.52638018 1092.907288 74.31992871 3049.773178 50.80748364 131.2678602 1973.110999 3377.008099 298.7061138 66.94807717 77.79111126 106.1909817 171.7665498 70.82046153 645.6499237 68.8073906 118.8936806 490.0972994 19359.84797 4176.943186 890.5833157 1301.603402 559.126501 540.2191369 158.1185717 166.9647905 658.7655052 539.8781555 755.8835236 167.4722872 3671.495859 260.2088678 2342.967836 101.9481022 383.805739 262.1951456 149.6956495 286.1981464 7290.916977 2491.818957 514.8736439 11633.18626 256.7502964 3503.223387 7743.667492 1778.862904 827.4360701 3189.111246 4305.319249 2357.465443 233.334073 811.0356143 166.3661046 932.3215967 Aminoadipic acid 1521.376741 3008.018841 4142.524798 3096.341255 3304.541263 2700.739621 2541.811448 2891.406583 2283.445677 2915.894012 3223.853328 3236.485258 2746.909753 3160.679315 684.9797797 3238.336444 2980.515901 2911.026954 2694.523925 2522.064255 2664.508058 2945.793024 4045.699436 2211.907964 3503.722403 2283.090466 2524.980359 2224.023175 2010.789529 2166.099381 3123.731881 2020.742051 2412.215147 2439.314314 3806.027936 2339.582019 1397.072414 2334.674365 3564.428884 3445.435005 4171.346051 4518.585433 3493.673635 4356.470035 2646.807507 2777.676951 2885.862224 2096.284104 2108.921786 2400.727822 2625.321184 3033.744985 2002.642351 3605.652305 4279.344925 4076.970908 1962.648308 2885.249488 2254.908249 3895.579775 3316.424434 2999.636611 3518.117026 1380.498203 3074.500806 1838.233132 2419.737754 2991.605555 1926.3796 2296.433123 2333.632667 2267.958672 1556.562623 2136.801634 1806.658931 3612.651795 2312.039899 2423.131191 1618.176334 1838.077188 2008.582213 2546.210024 2626.558308 2200.979649 Malic acid 7257.661945 2096.609629 4504.177757 2433.64334 2102.821652 2217.31378 3474.924688 2065.931356 3715.625484 2717.978429 1739.743058 3806.791618 4540.238266 2234.405897 3595.496308 1602.314719 2389.091039 2181.868608 1894.668279 2385.99804 4459.624781 2725.326613 3542.735954 3241.231889 3391.645885 4077.213659 9075.751464 7723.488761 4818.32084 2730.781568 4150.422714 5011.953854 2387.320238 2678.389463 1831.285529 5081.819265 4136.446692 4278.707119 2272.673087 4235.55208 3961.896142 3925.556273 2934.707772 3392.261078 5193.179067 1628.689068 2513.457515 3105.923466 5289.931838 3002.15219 4427.417386 2125.487841 4117.265508 2496.849565 3609.630735 3236.066315 3206.634587 5938.861769 2930.482244 3283.773409 2136.928528 2485.525627 2008.27935 315.6117873 2632.780579 4057.061579 3400.284105 6731.969473 2103.222095 5114.774567 2604.339051 4624.265396 3102.643817 3574.656739 6950.998916 3097.697955 4887.607108 4038.535752 10201.33362 8140.181737 7405.836399 3745.994281 3464.998369 4644.635303 Dodecanedioic acid 431.0860434 458.2739595 450.6622789 456.3430881 572.9437534 470.0431969 412.9086344 462.8757627 449.3092175 755.0736139 687.5008788 503.691336 468.2304891 481.0451617 473.8482165 427.4656737 589.0081824 496.1032052 701.0592346 711.3529237 696.6579362 586.3632989 496.6651244 765.9526691 418.2052782 658.2938331 647.616491 454.3791662 452.4516939 481.1583146 650.7341014 638.1079601 748.0757011 409.584788 450.9553264 429.8771021 480.7077538 409.7517977 410.1896737 646.844073 486.8683395 735.5229502 724.6781136 485.8930878 454.3586074 716.9665369 831.4850898 916.9001035 802.6896011 770.5466601 732.9323621 746.6618888 965.670918 714.9531412 924.8625032 809.7720458 650.0627681 661.3890552 443.738347 833.7268882 774.3891445 810.3638675 779.7340934 426.5240178 880.5899626 818.5059625 701.7634092 545.2630321 902.9057697 695.4923349 735.2843796 621.628217 639.5995803 763.1536168 568.3707558 830.0726465 715.1851705 721.6799866 757.9896304 562.6438947 814.9245223 828.3536385 845.5984989 847.4220478 Ornithine 1076.284658 1693.818326 1720.530127 1803.25889 1856.930725 1735.832026 1494.912303 1708.715173 1320.270516 2030.981528 2048.339604 1824.633375 1570.389693 1742.810586 1151.741976 1869.77556 1253.730013 1744.067191 1194.080264 1397.397859 1761.300059 1736.799072 2318.22038 1240.864235 1846.523246 1586.356673 1421.885019 1939.218388 1205.240184 1737.678953 2283.850578 1465.695402 1415.989369 1145.161717 1899.051765 2292.639164 924.7935733 1544.927152 1804.366941 2273.886534 2256.225345 2191.033839 1694.126425 2123.055506 1577.323805 2033.617373 1877.975287 1760.11418 1368.188695 1899.537636 1931.807688 1563.597108 1546.981496 1643.94745 1748.571069 2478.293399 1242.890013 1673.39005 1628.554411 2487.172213 1474.637514 1318.799064 1597.906273 362.7229848 1517.032899 1120.125351 2132.373087 1620.4875 1578.679912 2121.210477 1734.333349 1566.143179 1833.080714 966.6884202 2180.383627 1773.940372 1264.101974 1794.186915 1919.897207 1631.11765 1677.078708 1818.703474 1438.399844 1933.46237 Sedoheptulose 7-phosphate 1696.125408 4994.334698 4979.524144 4575.711487 5239.967975 4270.026636 3353.737953 4121.19487 2672.75055 5081.879242 5630.588033 5805.184785 2742.233763 5043.425758 2451.912713 4615.705369 5645.977446 4011.336158 3294.007855 2748.911521 3467.217188 4895.273093 5839.206794 1884.572885 5738.699876 2487.164484 3975.525217 2580.259692 3192.861168 4438.508933 6612.361319 4040.563903 1864.048302 3680.933898 4338.779712 4816.040678 1668.382548 3007.741763 3905.078614 3556.7901 5278.231898 7199.990179 3573.237349 4043.143304 3166.179778 4973.504249 3750.162985 1891.768981 2921.651288 4632.835569 5297.700621 3262.180391 2328.423287 5995.928575 4665.730085 4634.924899 2658.93628 6598.592656 2508.253322 9657.90706 3653.552431 3909.188667 4049.270087 403.9582835 3906.495405 1450.686219 5489.080609 5086.301932 4386.220735 5079.815014 3797.099098 5520.805929 2116.994924 3351.574196 3908.141066 5019.609971 1797.56383 2951.556207 2405.336384 1521.236506 1673.62793 2826.085005 2564.908914 3470.289807 dTMP 10600.0547 8913.903415 2356.27914 5589.177881 4143.68346 11358.42349 8498.239165 10209.52965 15213.65856 10182.56913 7718.087203 8991.386536 9390.957599 9630.483186 13114.53135 4419.196092 11480.90852 4589.927991 8878.93013 11852.84193 10573.22538 7289.46625 3927.246029 11898.13031 6432.044078 11368.86948 10705.61425 15264.70619 19460.57788 14380.82323 5364.248642 11376.73424 12962.67502 8332.13169 5770.455487 10955.26583 14214.38886 12413.20361 4550.348446 4837.732133 4472.484578 2613.983711 6540.476287 2601.77065 12879.66043 10695.44895 6890.556234 11290.26955 11436.10333 10284.76825 9080.66642 4604.042067 13106.57636 4925.061978 2013.458869 4391.668008 18466.02239 7869.548661 15091.94926 5912.022707 6347.453869 8753.580585 7011.536144 672.5243312 6647.946171 12521.28231 11201.49058 8151.095041 14172.83462 16756.84452 12647.05387 15095.13988 15949.25662 9961.935178 13532.58533 3480.160948 11292.16828 10216.49006 17985.93439 12275.12946 13829.95945 7485.205236 8579.359843 11761.69952 Dulcitol 4047.909732 26720.64978 52108.72962 46089.94614 44956.83281 17771.77773 26805.97597 28147.99236 15888.96188 31623.13645 40049.62433 42308.4889 27991.44783 23398.89891 12151.80239 39731.00398 34134.66135 34951.54667 16314.19515 24298.22503 30390.32381 40047.96807 51932.3766 21687.08792 39523.79843 22474.05348 31210.11312 17776.21153 5041.203177 21936.72757 51487.08108 11860.5233 16153.83357 34406.67077 50360.06697 34800.82593 17718.89707 25024.02574 42877.56836 38072.60643 48987.07017 55494.05937 47219.99547 46670.56693 24724.15166 27899.62835 28417.89475 18049.99151 14443.19537 19036.18923 23905.82974 28289.47646 7684.040362 46115.07989 45201.45172 44721.72193 12170.65545 29011.3867 14687.75311 60532.56638 26201.71118 32526.85127 28656.84542 4517.325411 37067.85659 9239.288437 30197.20558 34517.28391 12772.80005 22385.55328 19823.88754 25899.8645 12078.08814 23904.95826 13852.25186 51012.92818 17459.68533 26152.7252 9022.624686 16120.47244 15954.33642 33945.0781 21834.97249 26398.99861 Gentiopicroside 67837.82759 15217.67133 13630.33404 27438.70897 17564.83345 12832.24929 16617.18951 14676.6335 29804.82316 18465.18318 11994.5919 12180.85492 11016.73378 9513.263942 171803.0919 18237.52041 18440.98212 32290.10787 27514.25154 18982.86704 13188.7025 11595.18512 13618.71358 19814.62187 9246.54336 9765.829649 38513.10117 22977.15063 48961.41399 20594.26581 16409.19189 48873.18629 9094.501279 24469.54716 7660.592918 10544.24241 34520.67751 19315.26976 24239.80691 11827.62288 22039.38164 13736.6856 15038.0972 21956.05964 17999.1156 34166.08941 18564.13566 18868.18825 11120.36398 13490.8851 14311.3125 24611.38752 18335.84816 10515.52986 11621.81549 49650.09665 45573.55623 20451.46105 86547.24015 17390.87939 41279.26044 21457.51354 35743.29067 5346.200204 19550.17627 30911.37278 11501.56765 11937.7893 9836.021531 32168.8752 13212.2972 38283.34136 26537.89449 40679.14519 61955.72179 13596.82074 20883.17532 18034.26104 18886.42738 11763.99711 16763.77502 17266.04682 59331.01062 20848.92904 Gluconolactone 4602.055825 310.6456923 235.9960143 1583.300773 1115.722404 259.3355497 443.0778867 346.0520499 223.1870369 565.3749734 348.709534 391.0118896 216.7013595 208.052329 1029.695498 273.8696592 427.9197457 395.9639152 609.0850831 567.77013 231.1785335 308.6103399 380.4818424 749.0774809 304.3193718 327.4630235 1927.593889 1710.174076 1212.852781 901.8660879 288.2843775 7149.450793 365.1711394 372.8866631 292.3998349 477.8526978 255.4038326 336.4849127 1572.348968 244.6888596 383.6855515 477.0760426 401.2405728 320.3548472 493.8028556 333.7468431 498.7328394 610.0725253 695.0156208 418.6167559 932.8574352 1622.44735 311.7772895 383.120696 348.2466728 389.3571906 528.2125483 1144.055293 600.0788291 413.9261894 1085.266172 483.5775782 713.842745 139.0066621 428.3895617 336.0214085 243.1988635 328.7224837 382.201779 2637.952407 460.317927 4841.437549 199.156755 1717.656824 5589.705402 669.0690238 1013.103941 1146.374585 619.3421584 762.6453236 320.8394256 602.9752293 878.4441632 780.4820688 Glucose 40926.99566 26872.43535 42515.46199 37013.71162 40081.54588 26263.45799 28060.61782 27780.5494 27752.91407 32019.02747 29510.56015 32376.57169 30552.54843 27684.55382 18166.02324 32231.25678 23595.81586 31192.23086 33759.30141 24849.53615 28649.04783 29392.0421 40725.70849 26223.55133 34203.90792 26590.06938 40891.19556 38013.93918 25517.0751 25995.01852 34036.88076 42122.97987 20834.07097 23571.2343 33564.2168 31753.46731 16545.41789 25094.45706 36467.42119 40730.93762 53354.63932 41313.90497 35423.18275 37650.6579 28721.61815 53871.55638 34505.26293 34267.74887 29498.64642 35909.61545 36003.812 37551.59842 25230.26973 35325.11024 43406.4955 76400.81823 38136.09535 43482.21617 74852.99387 45548.91581 89072.65007 29929.58317 61728.49341 12035.48103 30833.57362 28107.07909 36364.89505 41069.63319 25117.07223 48794.23573 22551.83754 45485.62559 18123.5225 33173.26655 98500.38244 36556.84214 45820.47413 39188.63112 34669.78575 25051.23797 40162.8172 36063.59329 98754.77442 42390.45151 Glucose-6-glutamate 1047.726467 157.7875302 129.6818629 332.9737423 264.4559075 175.7474113 192.9342955 194.3907287 191.66275 181.3674272 153.4091567 188.4583462 168.7147951 163.2030526 194.6453908 171.4292175 194.8726312 232.100775 477.2141383 181.6469678 177.5145452 203.3717597 151.0317869 418.562696 93.67723007 210.0341923 576.8981804 407.9585406 348.1633967 376.0435112 201.0123545 1348.01629 180.8680651 1464.578015 97.59421468 178.2307932 563.7030981 3200.340963 475.050788 151.4735082 165.7365886 221.7348524 198.375143 157.6402384 368.1507439 164.6720978 179.438229 339.6496616 6844.887103 709.1888497 339.0756471 385.950184 2455.46333 382.0023856 197.8324008 234.987481 306.7313007 1552.443793 2458.104917 208.0219293 1093.24775 171.6332138 2289.032635 95.84895883 232.9164771 338.3639965 144.0718595 765.4208252 4646.098434 1718.265547 240.9133085 1646.952362 311.7898422 4830.751154 2940.953046 1719.216246 917.0455264 2304.685606 945.4301389 458.7966822 261.7612146 372.6998323 683.9802968 815.0049823 Glucuronic acid 11174.65723 479.8154998 182.0637538 5913.034689 656.9772675 606.2754237 1112.016235 587.3127096 497.017046 1042.240716 771.8837286 534.06506 365.603027 380.3369935 543.5974611 517.1415951 966.3907443 605.8183143 1467.627612 1419.927042 392.8661156 461.6002412 878.0454646 14061.54236 419.1679257 745.9471578 6209.915189 6671.629773 3368.540686 3658.413907 373.5288051 24682.13658 859.0939537 679.9935454 534.2836126 1419.404556 911.9556779 1023.746309 6433.562755 372.3162335 645.2904903 801.6577899 1260.827104 440.4711092 1928.699692 602.597383 1180.843814 1865.777778 2248.473385 775.3076662 3265.491777 6104.747689 920.1278483 772.2501125 819.8260992 606.6925244 1953.076117 4457.481399 1359.883734 1075.383641 1797.534461 1433.221736 972.9681415 108.2967915 1290.00864 1611.753018 438.3052195 706.9185366 943.2475812 10179.06689 1367.044951 27956.72505 579.8699395 9164.908242 25212.32301 2383.654976 2831.331036 5011.046624 1964.516946 2034.918524 775.1313833 1853.735097 1314.885633 3353.681499 Glucuronic acid lactone 2833.973831 918.4951522 1486.73037 2274.760416 529.9371663 1507.168588 1110.344474 1405.584102 2491.368784 524.932926 368.6250869 331.2583259 2758.322924 1082.636958 1545.544757 1212.429627 397.5660381 371.0114571 1443.807949 1352.441624 2000.43715 1190.807412 1854.848269 1298.775043 1647.327606 1077.04948 2255.927638 3837.064176 2897.414417 852.2162749 1811.629389 3541.084117 1178.065212 1915.346056 428.4217329 1885.951073 1135.250196 441.9238561 1302.497335 569.989033 1575.734254 337.443886 996.1798115 1294.157555 817.0017501 1685.065309 1076.269722 2282.000938 2663.580757 3481.744627 2857.976646 2501.421166 2679.632683 1381.521316 292.8672908 357.1689309 2867.812704 3242.177444 3838.65359 400.6250337 1034.516999 413.7562503 298.5764567 93.25595169 1168.524156 1023.057374 1272.62027 3139.164065 340.8008629 3503.843951 1762.658444 5891.003303 557.7680998 1631.672479 5365.451566 2014.605985 2129.968256 2373.390336 4353.826977 2093.014701 2146.062439 1317.978354 1340.931168 4227.622596 Glutamic acid 30457.01842 27836.97526 39118.43364 29237.51891 33178.77468 31734.49322 32529.23194 30076.92383 35625.76979 40973.48778 30457.62857 39833.51241 32317.0209 34593.24953 18074.89036 30245.51473 27575.2268 29839.68356 24381.19402 27421.45839 38258.36967 28763.5959 34260.71831 28510.71126 42038.56754 28254.76852 37421.11794 45046.53726 27898.6441 34167.91853 31680.90028 26066.58237 26745.00732 23875.49902 33587.43763 41384.68731 23468.2468 35827.40272 26965.78921 37835.72941 39026.70915 32966.63032 30066.52843 30381.42605 33459.13115 34484.68792 31825.29367 32616.72016 30793.3198 34706.14572 31739.39184 22758.18042 28146.89069 28270.71808 27191.64441 46705.56324 30676.27423 39326.73273 32761.82561 42297.01997 32293.80246 27972.7632 30049.73851 1840.949668 29694.05594 26253.26046 39182.11784 41662.56922 30361.2572 41152.73964 30395.26836 37181.04452 29334.75827 24555.94208 46858.14039 31630.77343 39070.43174 36489.62943 47424.00535 42751.94617 45327.77204 31869.85387 31939.02276 38466.73023 Glutathione (oxidized) 7131.562771 6783.9697 8470.613513 9775.255718 7913.947909 12210.14585 6074.409469 7056.496275 14353.9663 14489.0227 12710.81412 13625.33831 11847.47166 12950.20462 11844.87727 12216.8329 13175.60413 9042.324389 4504.481872 17043.19268 12510.17867 10518.55221 13663.97768 14663.21885 12108.4983 12151.73325 9586.05842 17822.50304 18515.8543 13500.22498 9500.383216 8963.411913 12067.1939 10216.98789 11696.38761 14315.24 15378.09134 13132.52733 9368.784423 8200.033763 14063.22837 11218.8178 10811.30566 12514.66704 17565.82182 15365.52005 9286.414781 10823.82744 7635.578408 10030.09881 9801.524816 8250.460846 12953.39966 12152.45992 7318.615733 11275.97628 17495.44355 10506.6319 14274.7893 11405.77059 8640.004769 9705.666353 8775.779176 1651.702232 8341.285138 12558.82283 13377.457 8725.851725 11811.97568 10241.69762 11775.07269 7636.155785 10851.24169 9037.772914 8066.949612 6526.062925 9909.26088 7072.283541 17961.06284 12222.87242 14590.08156 9155.681195 11699.44029 9898.514303 Glutathione (reduced) 8270.435262 11879.79427 4196.508878 3131.846858 6253.555821 4597.069863 9014.500857 13362.70994 5195.749406 3815.125178 4676.207112 1476.735659 8057.700327 2800.221965 11696.45777 1511.532408 3188.94948 2547.754731 15122.24973 5356.18785 6534.214325 3343.188127 4023.767699 4370.361666 2219.702726 4399.730144 7179.705542 4698.560676 4961.67967 7662.762607 2347.298815 7393.124158 5515.525974 5528.936089 2732.570148 5017.305692 5369.972467 5197.562297 1825.219489 4768.257242 4619.457157 2761.210013 1923.593028 3181.50695 1820.791551 3202.972352 2650.038181 8823.685847 13398.88595 5565.221628 4871.619939 2108.570039 7746.378379 2494.246683 1424.363799 3186.381251 5053.422245 3585.16054 4558.514833 2973.382065 3506.284738 1651.74152 2291.633793 364.9679982 2763.584207 4591.566458 2094.285529 5434.395031 12832.28413 13615.6259 9900.508079 15769.00694 3094.809572 5889.896002 14710.70204 6485.534835 5064.746585 9652.673176 11748.69101 5037.197063 5082.198688 4877.021431 3697.261073 8952.532069 Glycerophosphate 148.8796282 267.7943114 202.5894445 240.202183 261.668444 234.7284972 221.6919472 258.5637134 220.7236587 245.9248952 249.5520917 215.7236357 241.0375124 282.135218 154.9806054 246.2776672 280.3109933 219.0946717 252.8415917 251.6342936 241.2192939 188.2862153 242.5938234 193.9828522 267.2504921 188.4285482 207.2243232 340.131108 221.124391 261.0155921 247.6242753 216.9069886 165.0770485 230.2201589 288.3193989 288.3894219 176.4540178 277.1606359 215.242946 310.1944706 230.6108241 190.4251874 232.5568661 163.3129721 254.164659 335.0433004 199.9822245 231.0876213 208.9676788 244.7775519 205.9294602 158.0100318 225.3902896 251.8175974 195.6504958 262.5783819 286.645658 220.8178472 195.2660651 221.2279493 272.6128699 179.1570467 227.3265717 35.37459672 212.3136321 209.4147665 288.0054602 250.0149289 293.8409249 333.4726418 271.7460727 350.9258373 169.3650136 210.00308 365.8749631 252.7469334 225.1275511 270.9540881 344.0406665 248.4241569 269.8789102 233.3733263 150.0942799 314.5914105 Guanosine 3908.938269 1283.347213 1302.198639 1641.562553 1337.408945 2617.552714 1498.6273 1855.692887 3099.95787 1399.880782 1740.756287 1655.590778 2738.305951 1347.907886 4660.437472 1216.844498 2480.437969 1454.747348 2118.019342 2645.976549 2661.992373 2870.103037 1555.160276 4113.78879 960.089798 3604.673724 3401.590916 3245.695609 5212.36975 2297.24922 1732.45344 2526.932249 2341.666 4538.040247 1447.04196 2125.161597 6004.513368 3145.902838 1168.812094 1713.043909 1680.699315 820.4600825 1337.412692 1218.538553 3811.001703 1242.919713 1139.302679 1368.140516 10390.18145 3999.549554 2623.111041 1425.904736 4111.949303 942.0081109 998.7535729 1460.114884 4654.782472 2322.487456 4472.038092 1527.089136 3392.418591 1821.032123 1630.795279 402.2336958 1922.668413 3943.067163 2198.099947 3860.378048 3944.150174 3134.534851 2486.810544 4185.016462 4455.638003 3811.353205 3725.902204 1819.842098 1881.753462 2507.644707 5424.710873 3831.91974 2045.231178 2040.120093 2500.991289 2595.766909 Guanosine 5'-monophosphate 6588.651609 9293.2337 6425.266043 7239.388782 8337.529954 9840.324751 7390.088183 8677.036718 10826.09007 9198.687785 9198.306873 9702.838187 9200.081432 7316.400658 14494.32032 6356.36424 10641.30581 8300.506754 7812.849584 10021.03035 12851.88703 13392.64144 7177.689708 12197.4125 7842.681232 13667.12914 11050.27334 18894.12457 9399.591047 9722.022185 12959.07305 12894.49643 11421.45456 6641.962821 6756.847366 8220.562483 8061.783033 7875.510553 6409.191287 7580.299285 8537.948168 10259.12779 6781.435038 5819.506956 17180.91853 12208.49232 10610.86537 16367.30464 9862.494803 12293.3469 13347.23855 9849.135056 12011.13833 7625.590734 6627.020344 7267.208864 11308.03251 10144.79265 13039.15648 8044.011611 9051.218555 9440.62251 8977.963034 2610.084102 11737.17392 11480.47943 12781.61629 10840.98428 14185.55958 18371.55831 11710.18372 17061.68015 11968.28701 8521.345534 12748.07898 9534.512507 12473.79054 16838.03078 22601.74298 14047.59636 18026.71641 12004.16432 15675.9776 20940.54175 Histidine 4577.335342 5467.877284 4704.006529 5034.712481 5869.384969 5960.833472 5319.571054 6456.353674 5465.621531 6771.694481 5419.984463 6816.09337 5168.445747 5654.714297 4501.752614 5189.600117 3683.533262 4292.351943 3836.21221 5562.742118 6410.263353 5948.770988 6724.859982 5657.041156 6752.898685 7269.244707 4506.218676 7019.387502 5436.177299 6526.060898 5919.257489 5000.763295 5242.747518 3823.042521 6191.825719 8053.673335 5193.894475 6771.772232 4735.683904 6830.708802 7428.481728 6241.092536 4297.758669 6545.954884 5396.355449 5311.641959 6556.511479 6040.983898 5510.363815 5846.144549 4804.669578 4670.682837 5935.821916 5597.263545 5460.86041 6182.507236 5082.498228 5069.03989 5330.844927 7157.049446 4983.886499 5037.641367 5403.087923 940.6803692 5178.33198 4372.336828 5866.643636 6283.433321 6018.159276 7364.016234 5672.586811 5706.020639 7792.165758 3681.99658 5904.873092 4095.586001 4530.75976 5879.892171 8738.987869 6234.535466 6188.059029 6291.852449 4987.258045 7020.669753 Histidylcysteine 6022.224128 8068.195013 6873.330903 7781.327389 11124.79101 8191.598224 6495.500826 8514.851246 7415.542634 10797.09508 13487.82884 7820.194831 6783.873625 7623.3193 8616.664374 8148.095516 12114.09648 8174.731463 13002.13181 12609.0423 10600.66416 11438.85308 7448.104099 12974.57663 6825.77855 11850.59627 10411.14343 7056.103933 8900.225599 9236.44236 12156.6668 12438.59553 14102.69295 8967.847536 8398.639993 6653.394066 8234.349958 6905.450987 8427.684895 10935.12246 8880.39072 13839.82496 11529.5667 8335.63963 8189.38355 12660.13594 12689.31768 14534.59161 13500.32874 12899.44604 11366.23246 13823.91632 14420.63835 14209.60536 13265.54783 12690.74027 12471.20142 10683.94275 8925.472188 13417.5916 12303.76259 13325.16966 12415.78989 7969.302859 14477.043 12468.9126 11545.82738 9863.75633 14865.0795 11911.16022 12707.33419 14326.08218 12805.07894 12710.9108 10363.72146 13492.10586 11822.58795 14170.29532 13052.58617 11161.11596 12914.0857 13287.88128 15597.33103 13625.56834 HYDROXYBENZALDEHYDE 2113.050039 893.8983361 2998.515318 2952.1058 2003.395248 2030.25088 1065.256188 819.04977 3219.758412 2487.743236 2228.014779 3197.542083 4229.406341 2419.435982 1945.715955 2100.429592 3113.07992 2455.551499 504.8638536 2563.743388 2430.717739 1839.397416 1569.98676 1702.570412 2862.044441 1113.55239 1881.668261 1853.090951 1480.251325 1359.291614 1679.749343 703.3712028 1420.950384 1208.871219 1396.04216 1627.244172 1388.955376 1632.302115 1074.302738 1718.447503 949.9707536 1858.62572 1497.781437 1428.894187 2156.400157 1781.770029 1074.255888 2370.077127 1100.597255 1099.907801 1732.701249 1478.417031 1137.707523 1267.90554 2078.333883 1342.415327 2063.702573 2223.183121 1323.277948 1237.126475 975.6335693 1272.505204 1098.504782 411.2547602 1278.193774 1475.81434 2034.25279 1145.220012 1042.160113 1015.91606 1401.109972 481.1453218 1233.094113 832.4552389 817.3895927 1008.406488 3245.797607 1663.790774 2746.522623 2101.876321 2888.113305 1984.15996 1427.225997 1456.178606 Hydroxysebacic acid 1918.417354 260.6378713 197.939773 1641.374778 300.6886138 323.1959857 390.0004737 426.7934035 243.3326893 271.9911389 302.3191847 346.5358459 214.1307807 353.5829625 306.5213536 297.090125 304.1853436 292.3439263 563.9661352 330.224196 234.7110397 294.7109648 628.2537496 488.2036582 253.81963 308.8167245 819.8122492 429.1365741 403.5619146 851.401966 214.8102841 3860.653401 379.418699 3044.350342 374.4710506 726.3993356 539.9680378 2274.379367 1709.024337 275.9820641 292.711232 286.6078394 425.524349 303.4044929 699.6654521 325.3875146 521.1154276 703.2758913 8485.321236 6228.853534 1656.389184 2207.007528 2488.976914 638.8099278 242.2963332 256.4656212 822.3768071 2779.94367 983.3302597 408.4829299 4789.628669 452.4737578 2832.948591 199.5989092 301.9357044 265.6328659 253.5106576 651.6635383 2503.394469 2785.311046 532.0119112 5767.199885 232.4652073 5929.540552 6602.29348 2797.453358 1511.412643 4420.177918 2071.011094 1997.625821 362.0530564 923.9698354 423.6689835 1593.233016 Hydroxysuberic acid 446.2096826 40.91897779 27.53789608 418.4881605 51.78820012 56.8235041 96.98092122 63.86180627 24.26594901 36.6520975 49.63131249 57.17517106 34.17056714 39.30354858 47.0954534 59.71253507 56.08894266 63.16171643 134.7771559 49.97809907 42.55135303 43.06383066 106.1746426 123.8251375 35.07057554 43.33191711 143.3271517 78.56498205 72.23178216 187.2106598 33.96731278 1353.081396 74.63007126 936.7168266 74.00580751 163.3951067 144.7271143 706.425255 407.1333604 46.92949473 44.00315012 65.79502979 94.32907795 69.22991653 156.3487694 57.20807663 124.5488669 160.4510173 3115.014458 1845.550328 394.8563147 572.662706 936.3899714 164.4617653 31.21449995 47.84880846 170.7746682 781.699683 264.9298569 81.89161156 1164.660029 97.0397134 845.9089593 22.74084013 47.43565587 47.20418529 39.12220612 168.2960831 707.921138 799.0032497 89.18394419 1708.073609 49.00228127 1970.45374 2526.683226 633.5894537 447.1089261 1229.155379 460.2346784 493.6315072 81.86899168 224.5282573 68.46366563 432.500226 Inosine 26298.79608 14280.94084 7456.449433 14512.37459 11669.79178 18807.30041 14418.8104 17840.14188 21876.26954 16244.16989 16171.37854 17975.9834 16213.24291 12879.58886 27373.86561 11091.53825 15156.05743 15109.725 14537.59995 17455.64206 20464.98529 32222.8543 10223.62236 26045.86212 10374.25034 27474.26169 25033.74056 22021.64773 34031.77022 15981.43297 11624.71109 14671.41163 19918.42171 27562.09356 12241.81451 16933.82016 35712.12694 22285.38978 9122.31656 13055.20976 11385.66756 6396.310823 11451.17444 6801.925731 23389.13772 15383.02612 12432.79789 11469.96817 31329.37769 20681.73552 15378.99396 9682.192118 27582.681 9128.581625 5970.40171 9830.429152 30604.73992 12638.21323 28643.18978 19369.62196 13593.53365 14130.54293 11401.64597 2219.031864 17034.82803 24375.42783 16117.58035 32182.90554 17111.51721 17718.36134 19243.67699 21592.69032 29436.173 24069.87049 19088.66231 10468.96285 9856.9527 17179.16749 28559.89764 38995.13594 13092.2854 19111.45771 23781.8252 23482.15413 INOSINE 5'-MONOPHOSPHATE 14157.11567 57925.46674 14942.92996 51162.27833 46371.59554 66788.51871 60833.84977 69199.90213 55692.80414 69611.51701 54931.21792 67466.05773 33526.37634 60218.35828 38062.14117 36916.04185 37787.11011 39041.11854 38545.52641 69313.52549 49887.30795 37721.05469 18465.20348 41562.76866 52081.3969 42982.29935 30483.86439 67066.0321 34214.50027 68881.62857 24926.71397 42220.24919 62558.59757 23306.43097 41204.1668 65274.02029 21381.36798 50244.976 32674.86652 22804.09108 25216.75716 10829.04206 32466.76073 9504.274321 34230.69096 93670.99297 69041.84404 70221.97354 36241.63536 65137.63754 45409.91277 30796.5755 37014.41444 35923.03902 10809.47661 17099.22737 35653.58806 45346.9603 56709.36409 36858.66225 40898.08072 44994.02965 47552.30622 5299.095069 42056.91833 35744.61009 59611.62398 19564.36832 61282.87003 91058.32633 54118.89718 40387.97918 35934.30571 25376.38681 69504.32207 21545.0074 45488.91071 61300.48494 67272.60085 49366.59364 59098.93815 49038.29176 39201.76351 90404.68505 isorhamnetin-3-O-rutinoside 156.5651635 36.17677969 24.84602592 52.08647096 53.06792921 36.31691265 28.46556955 39.18064915 22.5473343 42.95643243 39.35172968 26.46100969 38.75389637 21.14958162 57.77745263 33.39273564 49.50856599 57.53781232 287.2009674 32.75845375 38.8463971 20.30927554 29.89144511 49.59928597 26.23007039 35.73190912 100.1643007 47.64180085 59.03836361 104.1143547 34.64681919 445.2884207 37.21317359 232.6618396 43.93286632 57.02832496 106.1249982 9557.212708 136.672399 23.12972759 40.76357496 76.1533139 37.32973777 26.17944276 31.37123754 22.73078865 43.55525926 45.6591748 318.9704092 59.39496961 32.62043588 176.3304245 41.10671178 38.59985833 35.51815401 33.93127037 50.8607677 658.5064566 51.60718253 31.84777922 56.16682086 39.51297153 56.11910333 34.02599299 62.30167716 39.27231432 22.96784405 58.29648517 521.8427857 206.447915 832.5582008 562.8381433 47.43917861 2751.728915 341.9492159 83.02467228 63.5092118 130.0830454 40.75123842 39.30745187 39.2755918 66.26961914 36.8270515 67.90499035 Kaempferol 3-O-sophoroside 1042.307744 56.10394443 29.86601739 142.7250803 75.7786954 75.3798204 73.04576385 75.43396778 34.946933 57.40390097 84.17901979 43.61181504 32.67982449 53.27528682 94.08791382 62.64914268 92.39387292 104.126621 173.8353513 88.43783704 46.71044335 36.87726662 62.87636736 75.12346213 74.53052033 39.39094172 557.6820022 140.8270584 180.0934373 630.860893 40.89808431 1261.802015 42.38237288 81.15066377 52.05594075 70.17870742 86.81051261 1412.253255 755.2858054 97.82501538 68.87497075 68.70998725 101.0207582 66.94258913 177.7759015 102.4437389 75.1672519 304.842448 317.3569962 142.2890027 450.3463337 654.5995997 75.80874433 371.9623084 98.0020884 116.9459162 315.9036098 1060.455478 129.6267306 74.78728456 175.0376724 201.1180854 191.0886917 40.58891005 404.2481106 92.549035 114.6595009 91.86259945 469.942642 1883.092092 836.7113673 7044.680059 75.0876169 1530.609306 5794.476972 1256.224899 295.6988186 539.0389665 144.2452041 63.73009473 174.3038741 565.2693914 187.2954534 549.113919 Ketoglutaric acid 2328.618625 175.3472287 203.2046635 763.239384 188.0363812 196.7907179 378.4885243 207.7620423 159.0253278 211.0114326 210.782814 207.7226492 204.5508765 177.3681178 115.6560738 198.7842169 251.0762608 179.3457291 360.5689271 220.5132008 199.2288395 164.0435536 211.8586991 225.5563317 213.9377199 175.1029252 1190.567089 905.7272799 494.6604735 634.8122375 160.364001 3477.752647 225.6201362 182.1351608 162.7530127 314.2776839 171.4476534 334.6317428 1062.140172 192.6259051 197.7857043 214.5287583 294.6251372 156.8144747 296.1624128 185.2272675 232.0243574 293.9080359 340.0710289 281.1483505 536.6140349 950.019561 238.3303773 206.3765677 175.3959355 189.7969423 306.2077205 1040.927282 284.9694221 218.7609523 248.4962321 177.5766856 225.9373455 58.91332401 283.0459708 253.5377694 209.3806188 259.5708703 174.4500225 1410.824715 298.8425884 3162.223616 123.4324958 1410.717717 4932.555839 338.759522 567.9972103 634.7164397 276.1110315 438.5316196 234.8606221 371.2775704 194.233746 595.8632729 Glutamine 20398.66646 16152.54134 12023.68852 19456.86671 14040.82282 15501.41914 23445.78254 16978.54942 17608.01612 13184.10713 15193.37635 22187.40204 16611.74425 16004.87169 13271.40358 14216.40993 11002.17554 19692.13758 10703.6413 14103.89377 14437.07423 13159.62088 16272.20207 7792.000942 26225.00938 14610.95472 10344.79651 15501.86648 8993.056603 18518.73036 20822.12152 8357.946354 16700.14326 9781.292344 13449.35255 24264.42252 13954.36757 16666.12773 16063.70087 11149.91916 20626.97153 12008.43799 15336.07471 11087.55706 14795.79048 24166.37524 20484.1901 21068.32532 16255.99894 18391.7907 13951.38176 9563.719488 11385.64549 13985.94316 12953.65512 22045.50368 18285.97978 22018.68586 17797.82432 16269.34346 12790.8793 12110.99741 18572.97877 2216.075651 13504.72453 11547.31303 16647.93378 16087.43509 13177.73277 14235.8471 13865.1684 15092.89404 16705.21586 7895.530343 22226.16491 15299.47192 15557.32696 13075.89727 19929.21314 21460.63609 19050.31166 17573.02147 19978.10157 19386.14735 L-NMMA 270.1220044 216.1219261 71.52170392 154.9819299 136.0883911 262.4434938 110.6915819 234.0235657 274.5330479 204.9454895 206.1578386 146.7519693 215.9864754 222.7600304 136.9757383 167.6582867 159.5357881 88.84289441 203.8907107 309.9143908 223.964119 263.2217189 153.739909 336.6389996 154.8225763 343.6160744 211.2409736 311.7358875 500.7377044 313.2731312 174.6970107 317.915057 260.4301273 171.9101484 189.9826434 233.5472957 377.8308579 301.6554291 128.2173697 202.5006585 195.4701179 148.8482605 157.0407208 115.2530671 300.6591119 251.8093287 173.1112143 221.3090339 333.9396514 231.0469555 276.6224378 190.4588324 366.1735788 174.6815926 98.99723864 186.2201035 326.887581 167.9669244 361.8214714 227.6244936 209.6540524 212.9334636 212.9524173 13.8963888 116.965109 272.2427791 216.1705207 249.7038153 315.9747934 395.7892946 241.7307462 298.0762126 432.7732498 189.8800013 255.8420258 141.228502 204.0372895 233.6356393 417.9026893 247.4098014 293.3783715 180.5757826 256.9529447 260.0239701 LPE 18:1 3204.401255 1732.881622 825.5362054 1847.20981 1573.718972 1084.579857 1137.556559 1315.138465 966.7414981 1421.478393 2498.309775 4129.987048 912.3143652 1956.220283 1649.237628 2308.351735 1110.967212 2573.596191 1236.16151 1436.587726 1360.396528 3827.414244 1229.531745 1555.106504 1715.747778 2903.965472 2848.975442 2483.486369 2936.031626 1746.072381 4137.020908 2564.139206 2489.717926 1347.876652 2417.62526 2430.016417 1773.071877 1608.283849 1528.342053 2096.640533 1732.914847 1078.367978 1315.794415 1453.6363 2633.763991 2166.367956 2940.654398 5908.880512 5511.221341 3784.967844 8856.54123 4035.971584 2666.020875 1474.21405 1878.169006 3801.041586 2738.02606 3433.013121 3760.82349 5547.351956 3949.203188 3149.256124 3422.127883 624.9398811 3856.515643 1987.709826 5168.946182 3342.09986 2745.507036 3216.503684 3163.471949 4909.444765 4262.923624 3165.52468 4158.897358 2879.396708 2803.05129 4926.836519 7228.339262 4639.861815 14013.84116 6342.724489 5262.504205 9713.813387 LPI 16:1 15935.43034 4867.576654 1540.296754 4233.412831 4463.563694 8956.326735 1826.988674 3749.6676 9375.569443 4342.613127 4180.84574 2087.504452 11393.82852 6218.63929 4316.471523 2523.101808 6742.426714 4006.19549 4987.59549 7849.450316 11717.47284 10380.84555 1667.610796 10461.58486 2852.970614 13148.24675 11829.45537 15548.67268 16524.00462 6681.732897 6947.2339 9733.304331 6907.77078 13802.9881 2118.352021 12717.24632 20338.17042 16680.38569 3730.221672 4406.072699 1993.758187 1329.893468 5345.163544 1270.411526 11502.62365 2938.703409 3458.846787 4470.879483 11574.55712 3460.424456 13534.68839 2697.541424 14872.21642 1646.761086 1598.999234 3755.066226 15665.03873 9154.16063 15727.77961 4166.225768 7685.393522 8849.076998 3318.034385 547.1257517 5238.523676 12743.65382 2882.746933 15061.36557 14048.20078 13021.2921 10170.37405 10350.48927 16577.46174 9285.790489 10420.75188 4265.057362 6945.320337 6316.019566 19307.39845 13565.43398 10522.16431 10590.98131 8262.785118 12830.18356 maltotetraose 2334.483628 711.1796844 662.1524367 668.3794858 945.698355 2198.885018 356.3461245 1047.393603 2350.106302 871.466883 861.5038262 414.9936698 2049.423539 709.7834405 401.2933731 773.3936902 2347.730239 545.5235502 1924.791482 1971.240913 2678.190974 3375.979757 2124.322932 5502.974708 1099.339581 10303.3457 8633.92884 4034.617253 7771.278866 1467.195475 1623.056653 5126.112735 1093.90979 5392.772514 1084.886407 2868.735022 6464.261558 4231.723456 1485.049862 1791.59923 4808.649411 9453.819998 3681.507478 23056.98449 7263.825661 3217.538603 1842.82884 994.4136002 5923.714949 1707.634806 6176.974063 17450.24731 9135.845039 1183.058508 3302.290553 7247.139851 7534.57713 2193.509013 9466.330036 781.6494328 4094.223838 2293.281055 1561.978088 536.6928891 1623.134425 4763.205416 1169.542886 4701.599806 2783.261734 2000.610096 10038.2896 4747.869914 4668.792092 5859.703485 5751.74166 695.4293957 1496.438274 1648.81457 9070.404657 7474.075067 2887.489247 3649.604949 10084.84051 4061.907621 mercaptobenzothiolate 5123.686758 3452.800041 1709.165003 11472.28392 1153.117639 5763.221913 1114.525629 1892.138622 7575.185201 3170.179803 1214.96842 7122.739957 6360.299256 8264.031392 3780.267965 3641.63333 1527.069275 650.9785679 321.1831603 8945.368558 1271.10283 752.2981547 1656.555086 1006.077915 39.59350475 870.6905337 388.312788 869.1289017 1808.014195 758.9816491 806.6754238 239.3581561 528.0075743 653.0690581 956.7840562 43.55420095 443.2826278 397.5555379 39.50737026 538.7003905 798.6844109 1069.022884 1362.582669 353.9775323 5999.040169 34.05077893 40.19644162 1903.371623 1241.803811 1424.316906 513.404754 1445.188274 437.3884744 660.2947968 133.2465341 454.0731594 1048.101148 3646.758797 1699.834943 678.5210423 322.6954634 314.8017492 120.5012574 24.43929323 58.55276207 560.4887196 563.6112452 162.1796576 804.796271 26.79626177 296.1849997 474.4062466 463.9331039 833.1975245 603.1096896 503.2125778 2409.940704 2173.189022 3593.22487 2306.238117 2482.666905 989.5144744 767.2281545 388.5471129 N-Acetyl-D-glucosamine 181.949613 60.84680099 35.66857251 76.87141832 55.48292669 57.39401215 56.57992509 60.11595134 81.64437322 64.85050961 51.38807419 69.80097035 60.85827118 70.04595346 28.70558178 60.52122192 58.21195269 51.05395167 180.6262526 71.28212099 74.8545771 60.90594133 55.11652605 126.9744275 38.58869127 54.77036997 88.25210407 78.53733972 144.7641969 117.4726853 42.41038552 179.7591253 53.96670371 388.6871005 46.26099597 49.14479263 168.0752003 290.7243389 110.8744335 44.03632211 28.82745984 34.81597486 51.01654684 48.87452737 88.39370404 39.88928433 66.32054429 74.22939124 909.3719594 401.495104 76.7408763 79.7867586 432.6773317 76.51225162 39.99767303 39.17188314 76.18066157 167.426525 111.1827245 46.96860804 241.5153961 64.02073206 298.0940935 46.78341121 40.10249357 97.23566231 45.05817557 146.1785008 383.0085074 189.2820193 73.35166356 170.1992144 145.5827129 419.4404363 373.6042996 122.6984174 210.0467498 432.9390442 256.5905977 335.0436345 69.20181099 131.606904 54.39948088 146.6808566 N-Acetyl-DL-glutamic acid 959.2446636 471.6141711 199.6867686 367.503388 215.1970961 1094.018729 563.6385231 762.7541221 2050.50188 686.2713656 355.3035513 455.769901 1576.933532 487.7173596 1375.900617 268.3688009 910.7140116 209.0039364 659.9872294 1234.471999 1385.655823 480.0053002 226.7228339 1469.43899 296.8380253 961.2453446 1065.848485 2041.318272 1616.721725 1025.97407 376.5470726 1271.859778 870.5895573 1923.713607 275.8340428 1048.234173 1343.524627 1372.346469 287.9716454 224.2094042 202.3074648 193.009868 523.178334 208.7624255 1911.586702 650.4287298 428.1248514 580.1293149 1831.654601 1009.681752 673.0269011 238.6368633 1841.440247 302.9873022 156.0149021 221.667444 1555.447847 789.9504799 1000.98422 220.9277259 836.6396501 1097.75762 554.3780583 107.7764108 490.4480287 1374.926068 596.7192784 824.3003371 2293.573351 1416.34497 1293.791665 1207.082255 2646.844184 1678.326473 925.6356742 367.4800071 1566.550732 822.657695 3828.893097 1400.872654 1715.834403 728.7309042 777.5173187 1020.800632 NCGC00180490-02!5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one 1115.416344 25.07709011 19.76369291 132.8215171 202.9152437 80.0392083 61.53615317 82.45240052 14.54193788 49.90495545 23.99115436 40.7062035 18.43359112 29.83556752 61.27335271 28.39159279 88.15186403 304.3768674 1132.541568 55.2390467 22.94936317 24.59310893 28.61242729 41.80693559 21.94818305 18.55197918 98.2537088 126.2635021 51.53254935 239.1283396 25.00721972 430.1386329 30.76147297 131.422682 23.27308863 20.86353333 190.1918821 5671.813484 273.8460914 27.17005007 29.92425822 56.28433669 64.70405405 33.29568215 31.82837437 29.95567632 59.76048647 50.93651483 2985.355628 959.6796973 61.57587799 56.98313852 87.52823285 56.97223928 29.62226668 34.84297839 52.27400479 1814.791185 95.75244563 25.70331665 523.7068885 40.28201545 85.5496648 23.3931625 61.38041117 42.21926473 31.93038795 48.99644059 708.9756884 159.2283042 651.5287201 448.7291818 28.7164067 1027.307037 461.542336 137.8701265 119.8437184 322.0400073 173.2098181 133.1308087 37.07784874 67.94277782 29.31871274 100.9514492 O-Phosphorylethanolamine 1553.565923 232.9229297 346.4235894 330.519646 159.0960435 336.376657 422.9117061 293.7862609 490.2419884 348.1483611 212.3703354 261.9238389 447.099592 153.7973717 311.0262158 202.5964335 362.4683754 184.9469123 273.4531246 380.4377653 759.9467429 383.2985621 449.0853656 489.7480864 296.1801344 475.8209062 760.5479244 943.6120261 807.239609 593.8965987 616.3973121 1123.071836 370.2192828 461.2995539 197.1326443 350.5332844 927.3287992 583.3596195 352.0828047 485.1297504 477.6375591 280.2628705 295.1230002 325.397797 695.1991584 186.4229825 185.0821115 300.7090705 340.6334606 362.0859192 332.8871414 402.2782598 731.7631863 218.4211907 180.3934848 798.3305986 739.5125492 449.7980782 809.2293036 393.7997754 308.0798052 493.8657927 255.9200292 79.24270904 602.4627804 363.7070961 404.5466753 365.5014203 479.9579426 889.2170187 397.4353381 981.5324333 1542.090122 754.3590336 1043.422164 299.4337894 550.364107 442.1660243 1548.226193 940.1308471 621.8577618 376.0255765 352.5472128 326.2959498 Orotic acid monohydrate 1177.012293 4792.777985 3721.27005 5469.344859 4129.64831 2688.018829 3387.724098 3299.044588 3774.188704 4179.758157 5801.899926 5327.715432 3510.868968 4935.967893 1932.331858 3678.465301 4424.835423 6616.883142 1640.899154 2498.232994 3607.01367 4535.887217 7551.147523 1642.215584 6270.308972 4581.327123 3929.658943 5312.674494 3050.981637 2292.980496 6326.916572 2197.481745 2574.642874 3159.36496 4714.202538 7235.186803 1061.31983 3079.270671 3688.118076 5128.719286 9485.241831 3860.092229 4382.655875 4144.733195 4080.72928 7900.679332 5587.35345 5152.79553 5173.4633 5605.562679 3391.798503 4586.520647 2036.276227 2910.034769 2286.071567 8306.650504 2599.655913 5977.729806 3619.781293 9057.439553 6282.083002 3465.996473 3038.951412 185.1961083 4694.34816 1132.562601 6370.08207 3637.725536 2548.788002 6143.219621 3539.55816 4101.700481 1381.177185 2404.773093 7875.46674 4248.527313 4671.358402 3912.55051 5086.006362 3566.59538 6252.537401 4457.456978 7192.432718 6454.425768 Ortophosphate 8239.111688 7078.254519 9641.662054 8525.735605 8651.487586 5026.830204 8397.206566 6136.931247 8333.940726 10052.86379 7292.602816 10093.0352 9099.692392 6859.89587 2077.638974 5020.558361 6051.641504 7328.239485 3671.018014 4170.988729 12504.32392 7472.62303 9026.769792 5229.879484 12054.47841 7666.970033 13815.48415 15660.39067 3885.11391 8179.876502 13295.03911 5744.552162 5991.718813 6148.867287 6519.789687 13576.67979 4447.704034 12373.36221 7074.982577 11122.50937 10565.86761 7886.862491 6905.442354 5000.012156 8290.432524 11795.71993 9282.727434 8882.934088 12285.00408 12180.82075 11201.92031 4215.470364 6059.459649 6261.403966 9547.255512 15042.8071 8108.505134 14182.82614 7401.197796 13993.41843 11073.83327 6382.373545 9856.609646 853.0595985 6820.553345 6135.84455 14208.60018 16007.99341 7083.659363 17405.6687 8745.708034 12403.60285 6190.154725 6795.169727 22772.45382 11642.98659 13600.77454 11560.37237 18476.92833 14696.08138 14253.5212 11553.18224 9567.259422 15432.37489 Pantothenic acid 1365.395485 2544.569482 2103.784599 2148.470427 3983.231161 2534.075636 1831.270374 2498.38247 2603.779481 3486.583196 3217.718052 2819.027555 2691.706087 1840.490961 2409.331052 3195.07684 2503.520434 2575.447847 2390.946915 3060.770122 2510.83677 2272.324573 4578.073456 2833.716665 3442.741684 4300.749589 2415.889612 2057.690621 3162.907671 3210.943184 2672.74929 1686.361024 1225.317181 3603.383757 4086.521932 3489.681439 2776.952036 3402.386485 2526.282575 4759.057401 5084.211986 4328.663077 3367.702308 3062.517684 3511.045306 5734.619362 2892.355361 4020.538717 4209.730484 2839.597088 3284.811383 2578.730658 3177.281811 4002.7146 3452.329006 6029.991982 4898.423008 2562.439126 4968.539326 3603.14805 3214.78617 3697.776662 3311.391852 275.2425443 4292.265999 2122.370016 3701.696695 4854.150584 3527.521344 4921.889639 2942.566648 3230.306305 3591.208664 2760.90191 2715.851604 3674.373316 2612.115395 2127.023436 4798.540122 2652.617645 2176.974763 2438.129336 2729.450978 4361.606232 Phenylalanine 13914.2141 24321.96472 28153.72074 23557.23734 26914.97366 23941.60204 24416.03175 28480.12931 24203.38335 29331.83254 31063.19707 29693.48724 23115.97732 24686.56978 24194.63025 24878.88139 21275.73803 24678.98997 17683.07335 21716.18444 28819.93175 27139.44371 28925.81432 23638.13971 29886.06505 23273.0502 22229.35593 27138.73411 15838.58537 24514.3511 23912.87762 21078.60871 20651.53373 21478.08133 31342.12298 33775.31012 13802.93901 22668.09869 19953.93622 27138.93617 36507.50927 31604.27936 23654.90636 24853.62914 26969.94901 25266.5025 22333.25267 26971.55526 24919.42634 24614.7549 21280.95942 21760.7246 21176.27245 23762.82716 21082.29371 27105.75888 21700.17188 22318.74376 15615.37484 25639.78937 19886.5437 17677.69289 21875.61282 2669.322041 25011.96494 15245.72089 25841.49331 24974.37854 24481.22955 28007.78968 21761.57625 20759.04118 16877.00628 14358.83287 27388.73867 24302.63841 19416.17471 24055.31564 24465.26038 21931.96814 22273.77536 25861.10884 22110.68008 32298.30495 PS(18:1/0:0) 17150.69973 6896.520796 3429.266736 6856.348253 6685.050852 7575.724808 3205.931255 5198.326638 6347.794657 8300.791878 7206.06374 8774.674312 9889.175055 7686.651751 7090.778177 5529.708762 5127.165987 6201.284127 6227.479776 7793.159416 13522.18053 17538.88816 3809.765014 14119.75257 5098.587368 15302.05822 19249.64791 18337.16884 19418.36274 11440.08882 13124.31703 13381.76496 11041.83281 9110.014422 5714.43578 16625.72472 11750.86533 8767.310131 5670.528658 5987.696097 4047.268315 3291.736525 6850.641496 3360.065789 11706.66547 5803.766134 9569.004914 17249.60538 13481.61588 8383.974862 20176.07747 6769.148685 17350.55884 4949.632689 3990.930643 6347.512122 24014.88572 8793.106411 17092.09463 8794.7069 10345.50136 10513.18596 9083.162045 2802.183634 12786.03567 14256.37956 8137.396298 19597.15677 17348.14055 18479.92018 12886.51351 13232.84352 21536.27926 12018.55557 10793.33054 7730.44748 7760.715465 11879.89013 28453.72624 16471.97792 31984.59008 16641.69736 15324.54187 22798.72906 Pseudouridine 1008.019453 310.2781031 216.0559502 224.1706557 239.4363159 449.5643426 249.3775287 343.1860094 639.4729023 272.187402 267.2840951 269.9148797 506.3357614 317.0676159 671.9300594 219.153763 464.990833 253.4541297 445.3318311 566.8160192 516.7222614 531.4743673 201.2178768 768.0619954 200.3117953 694.5116134 577.9895637 624.3458251 1272.32312 555.4939349 237.3282901 487.6648107 359.3616835 721.2060279 220.4061948 453.9489101 1289.726699 728.4416348 233.4801193 197.5374924 197.819088 179.8960566 321.1468454 214.229791 679.9949125 243.6167289 217.0053092 267.7304765 905.0350469 384.9735411 336.6771296 233.3086275 758.2686986 211.3486667 143.9617052 178.4758966 809.2472727 363.2634146 677.8116916 223.1579282 337.7783425 420.8743233 253.6966807 156.2417598 298.2483728 840.4883028 259.6491005 578.1155672 561.6046493 507.7666821 482.7742754 585.6774648 1188.827436 756.9710873 399.6353682 211.0498466 427.134531 328.6386658 987.2379953 817.5969227 574.4802171 377.2538838 422.1115482 382.5099739 PYROGLUTAMIC ACID 4347.909519 4168.628321 5049.754993 4122.536047 4241.714862 4608.498214 4881.556129 4372.678444 5586.592636 5669.996156 4117.581366 5831.298793 4750.936654 5096.582281 3000.483332 4142.840064 3738.716849 4386.76441 3323.744356 3835.624371 5418.184449 3767.279857 4498.312584 3720.906102 6033.672346 3990.309881 4869.557349 6384.654864 3845.589928 5005.034507 4361.244011 3090.755993 4057.777323 3186.166679 4310.378096 6009.175588 3857.116777 5297.486063 3577.365398 4975.871485 4914.175808 4062.08005 4100.543261 3793.045697 4641.527748 4883.287417 4688.238501 4786.853221 4621.048915 4955.372552 4460.348845 2864.288626 4077.682637 3659.232217 3602.151947 6082.511669 4682.188923 5503.136806 4097.322391 5103.472533 3902.950129 3865.641753 4028.932558 389.732173 3860.34887 3907.444267 5484.194696 5710.25333 4325.706026 5482.696512 4606.743636 4756.07364 4578.273179 3191.90439 6014.181701 4100.419069 5341.665515 4665.664939 7190.444652 6343.654532 6631.94764 4619.69978 3860.829107 5331.129968 Pyrrolidone-5-carboxylic acid 2822.241265 2086.669436 1432.66481 1816.023489 1638.458866 1705.682771 2324.973842 1761.926993 2206.691945 1630.368723 1356.995811 1915.130335 2461.319986 1871.023555 1840.614798 1674.000184 1302.948573 1665.978665 1248.756242 1473.258821 2309.07222 1407.287044 1542.120804 1449.698839 2290.277159 1780.017779 2687.966194 2243.216016 1374.094801 2473.708426 1659.284875 1206.246123 1851.707775 1455.174819 1580.087037 2813.462994 1592.081233 2244.222058 1692.902598 1197.723994 1587.978341 1308.129217 1681.616105 1213.419289 2372.416467 2268.210814 1918.003068 2776.522432 3037.236749 2374.309436 2033.120472 1074.910356 2231.166851 1156.463178 1799.481168 1942.719182 2505.788013 2700.021797 1660.401277 1592.173421 1614.682234 1490.313146 2257.080968 1896.781466 1358.276742 1977.712592 1907.994891 2064.599463 2168.329225 2042.024687 2142.473573 1819.806871 3076.760845 1479.165015 3145.21299 1447.920093 2610.851689 2183.830781 4307.567598 3941.503273 3477.977408 2165.884232 2245.845771 3821.901434 Quercetin-3-O-vicianoside 704.6724014 46.55396874 27.99410399 84.11851186 71.99089544 54.58116411 51.80970523 47.95087544 44.1711931 40.8698561 42.92410347 27.67447857 28.02756257 36.45362911 40.99116021 41.36986351 48.09156971 69.49552959 34.64139358 68.27884933 27.51285401 37.39509972 33.20803256 64.69990226 41.94820716 27.58770962 56.50147511 61.49732611 50.5119347 47.68557612 29.46433181 224.1624015 34.89575137 63.82213462 43.3865772 42.57025833 49.84505073 210.1874172 51.57832719 58.26160269 49.44463881 51.53540843 39.00733571 32.53446065 46.78973191 68.20386505 42.1503075 90.03864542 69.84304503 50.86826091 57.73396952 58.37345506 133.8278388 157.8170215 43.69198505 34.98677579 47.44437689 2887.670155 71.92795951 39.40060008 64.61973231 44.69544111 204.1689813 48.35187596 56.39143823 41.89361189 38.71928694 46.10320576 10424.1511 4488.8124 193.3336087 146.5443701 55.83895434 260.7989511 1977.982823 76.36901275 55.58307869 505.1136039 51.14113816 234.8187451 34.15128912 480.2593194 46.25035298 519.6331197 Quinic acid 2632.715411 371.8683704 224.4675132 2631.244295 285.3971729 301.3717051 571.7270445 429.3307212 379.7228547 321.2895247 230.0842733 269.5753721 231.6776533 282.6380652 998.1601795 476.3911833 390.7039424 412.2714215 507.4805414 576.9012032 486.750039 668.3321225 740.1420431 9606.460258 639.5503832 363.037698 313.3093253 437.3697319 457.7887206 777.9629909 254.6533448 6375.056384 681.5310462 13539.91612 1504.638315 1105.449285 464.39188 780.562363 1234.016907 183.1412423 250.871167 228.5868206 276.8031425 177.0450285 415.1446159 302.9367609 286.4927548 421.5080225 810.9534496 578.4739379 397.3381973 613.1374598 861.0481032 272.374025 153.7643976 214.5865614 371.9130408 709.9782444 655.7783897 247.0502994 872.7103353 1952.327019 721.937795 117.5907648 243.84228 280.9564691 259.3138914 524.5964599 1770.682442 1225.563086 297.9492716 1004.446966 400.3102421 1016.612509 1742.662129 914.4610532 662.4803722 1386.829219 688.7286549 310.8629515 246.652067 376.0766057 869.1116307 800.729619 Sebacic acid 1041.24191 1002.087368 901.3059999 1073.693491 1201.21608 925.0191887 815.0774577 997.1140748 1072.917879 1171.466465 1017.741773 1344.387257 962.5609658 965.1788814 1290.846389 1356.862053 1017.125946 1014.00231 944.4059485 1154.226802 1037.695336 954.3338358 1941.976316 1520.332041 1395.654131 1120.728584 1220.297759 1211.094872 2028.152472 1182.485434 1036.867658 1189.540578 1166.680937 1902.184699 1451.065206 1387.246334 2630.998462 1202.371477 4180.746453 1566.746982 2213.954853 1240.716755 1087.316922 3188.166273 1114.59411 1509.464083 1448.916779 1698.214601 1167.717157 1429.090293 1642.302532 1683.788184 2393.745428 1303.945173 2541.516871 1343.846801 1645.346208 1513.84833 1181.238636 1125.71853 1370.035385 1153.041606 1691.386113 794.8784915 1671.245398 1378.646819 1265.22399 1518.920182 2163.638377 1489.771961 1376.690451 1329.399475 1364.126464 1210.415161 1120.275433 1310.214425 1400.706111 1381.495197 1232.601013 1004.45576 1168.191472 1109.59466 1433.364977 1357.136009 sn-Glycerol 3-phosphate bis(cyclohexylammonium) 1239.914659 3235.25126 4989.702114 1878.713083 3958.534214 1956.852518 2383.713717 2977.740966 2453.888457 3786.287164 2988.458938 4038.217146 3413.742971 3613.155885 1539.008156 4060.997869 2089.768324 2656.778366 1992.623653 1735.7245 1894.983745 1586.573837 4059.270652 2150.806872 2830.916402 2145.894572 2442.106734 3014.290289 4056.497919 2065.535654 1545.275281 2221.945981 1181.6917 3186.418593 5090.175817 3878.374405 2988.587277 2448.714088 3607.930425 6459.547486 4063.346316 2877.65406 3124.503014 3061.230668 1865.032641 2345.237466 2000.360208 1685.468833 1347.588553 1360.983698 1715.018008 1618.895482 1602.953033 4290.108938 4134.146292 3052.706958 1380.025914 2906.795398 1512.046675 2780.501061 2067.910574 1531.960019 2284.469293 358.059888 2884.838144 1931.036683 1910.596697 3311.198205 1302.245524 1334.332878 1268.375325 1992.065602 1818.858175 1515.727709 1697.010978 3948.89602 1134.022724 1724.671305 1887.811116 995.1648658 1353.439912 1691.852101 1097.663627 1088.716798 Sodium gluconate 10826.02748 5968.060242 6442.177481 7724.207735 20929.92962 4664.70935 3411.331318 5388.522889 4311.731073 8046.207973 6726.892258 14070.1492 6317.388386 4617.244087 7483.519869 6021.561245 7656.894525 6859.548778 6068.409196 6454.803564 6738.55237 9208.163857 13726.21848 11614.24159 8257.237148 9614.737107 12175.54554 9918.416425 6313.343471 5753.269889 9172.844804 13333.8676 3562.491755 7377.632298 9969.518806 8594.83862 4451.108843 3758.73181 12253.97881 6551.336913 11968.86823 17296.456 6580.0813 15503.44753 9542.806376 10142.94877 5823.952287 5384.878663 8487.235584 8505.633821 8584.554633 10888.86451 6445.134961 9711.510959 10088.40255 18231.83765 7108.423707 6702.623386 22233.88353 17715.09394 19690.92741 7776.121311 17285.33125 795.4809507 8785.265067 6453.856594 8430.431333 10291.36405 7159.035791 12130.47996 6535.874641 20764.80501 5092.289498 8775.788157 31234.9504 10774.17714 6467.368889 11690.59127 10743.91777 5116.383965 6599.334841 6187.199568 24163.49701 15714.63894 Suberic acid 1666.785748 498.2375371 602.1357498 1020.340131 494.4185087 403.7515925 402.9139225 492.8511839 401.1251453 609.5176238 568.7538299 1252.390177 439.1097853 460.0600144 596.4240453 647.5591721 509.092293 605.6886084 406.655601 617.1423061 416.2757194 579.3384604 921.8485229 931.0926634 532.9988537 528.1246363 715.8803767 627.6509057 579.8592442 897.1551045 460.3806699 1732.208818 582.5118973 566.8139554 451.149709 757.813649 477.3128169 631.6059415 1158.410601 533.2935614 495.7476476 640.6886123 620.0199515 489.0364949 787.6607 507.1372253 614.9236232 1231.053022 951.7847164 911.8163119 1277.092078 1405.265919 1258.587811 642.9134072 608.059029 538.7654393 730.9328368 1918.570578 631.0264755 593.4801641 1000.150782 567.4345977 921.8948481 681.2128868 699.8033707 563.873204 487.715406 542.0299465 771.7585109 1363.008141 630.5563377 2450.731742 525.9542058 1654.859292 1582.351981 916.3588535 844.1911587 1494.706896 901.5948439 697.1596681 586.7160614 692.3275933 648.4900953 1007.379128 Succinic acid 3430.55577 843.5394767 2050.403764 1760.8127 1015.887455 621.4846124 1183.837824 548.9189932 864.8125325 1123.320514 1004.283401 1790.531271 917.2466965 925.8754959 976.9314929 802.6934 823.1643193 1228.112423 449.653341 596.1311777 1226.561951 936.6796372 2154.422502 652.7945181 1637.537688 729.3312642 2273.713671 1352.325166 787.0121114 899.2477834 1718.978856 2591.0763 447.0664751 1029.204975 1151.533616 1792.348259 659.2696429 1306.635791 1344.198954 1550.150233 1896.444336 2025.039 1289.442509 1461.89469 1289.384484 669.621972 1024.475634 710.9080881 1200.506097 1283.110997 1553.359158 1326.00093 809.8830068 1210.001708 1842.58629 2497.112771 912.8196025 2789.332415 940.5557795 2229.147452 1297.34073 898.6858997 1115.120725 127.7651796 766.695744 445.8039162 1392.691191 2103.098685 1011.248013 1846.570762 760.0812621 3142.090484 753.7978262 1848.107935 5154.780364 1850.004691 1609.553578 1610.743233 1440.016931 1794.336731 1439.081069 1178.749821 903.3532154 1463.057131 Taurine 9231.26802 7100.800365 8821.375522 7113.46214 5981.021057 4446.450773 8293.095938 5024.566271 8485.567109 6892.612617 5120.589682 5641.25721 6725.843165 5458.639733 3946.136677 4852.293601 5198.678264 6762.913824 4139.263675 4358.092632 7074.62713 5880.949046 7567.239666 4745.632797 11586.32315 6366.815252 9457.187949 8920.406698 5854.115375 6725.169362 6942.746262 3528.628578 5804.2382 4966.822153 5847.02394 9916.647289 6159.625445 8671.502597 6485.28236 8409.761904 9313.548 8579.549691 8029.520759 6685.217064 7727.674804 7470.044382 6417.800421 6426.258145 7054.590444 7204.291243 7730.621594 4098.237661 5794.352472 5394.684722 7569.265707 11427.2988 7888.949492 13618.96107 7544.074372 10149.35207 7462.552983 5853.381484 6825.938372 618.5254918 6946.289054 7206.918675 9456.866124 9737.671548 5422.487255 8692.245088 6616.967485 6777.614533 6618.603862 5376.721253 9515.036936 8287.979462 7837.185905 6526.501523 11430.63688 10330.48101 9940.212739 7121.682684 6803.531254 9209.683492 Tetradecanedioic acid 206.6095856 183.0122964 216.6333451 189.571659 340.9540305 212.1923045 190.049322 240.6201015 194.8128813 436.2782637 374.5661602 205.7003652 185.758905 222.5730555 216.8105513 195.3089167 346.7521225 214.3116289 394.9440377 440.5289661 311.578176 370.3446229 185.7921336 404.5269824 162.0628069 360.4939645 317.1868028 200.8902307 206.8195985 200.6905072 425.4412204 412.3529295 531.4355761 172.5359097 217.4570404 189.7582486 214.5874727 190.6381554 192.163087 342.0290264 207.1774265 432.2030625 393.8120012 195.142455 211.760033 524.284187 442.4209803 507.8374495 535.2203776 468.6006811 462.111547 489.992993 540.8685883 464.4158863 478.0488184 457.8553702 510.8713014 360.8463685 207.2496071 554.2096946 491.2323203 459.6090898 482.5765362 223.1035624 518.4343045 398.692185 375.6653359 305.4095885 519.0765322 401.9980377 509.2168732 545.2317439 409.6372675 437.1159696 332.8777125 540.1031813 422.7739039 430.4673364 407.8345528 367.3423865 427.0429812 467.6188412 576.2810251 583.5007259 Thiamine monophosphate chloride dihydrate 890.6151374 2532.288775 1029.602306 1677.684621 1617.794747 2265.80282 1810.728872 2259.288765 1829.949689 2863.68486 2073.934704 2386.335262 1647.4977 2666.070559 2341.960598 2128.372573 2163.314612 1768.794493 1739.072414 2194.330014 1494.433304 1717.150678 2017.83644 1524.152219 2686.68685 1702.086617 1842.12737 2448.074021 1463.796185 2755.592179 1609.2171 1840.285386 1954.305665 1106.015133 2248.820043 2294.771861 1047.820652 1554.358275 1530.979358 2134.801434 2039.049195 1488.541827 1599.960092 1294.954113 1569.809938 3590.871716 2958.902977 3546.935923 1276.71487 1744.818632 1833.529256 1682.036193 1543.44245 1714.778656 1038.893268 2369.584266 2117.130434 1609.48956 1965.844118 1865.876779 1441.621669 1691.376546 2500.152408 276.508204 1845.901071 1258.447223 2936.291346 1167.652831 2384.186122 3269.034692 2152.469022 2557.507672 1273.50386 1195.111826 1691.834162 1442.579038 1917.864946 2192.764447 2442.87175 1697.284083 2163.841841 1823.327946 1842.259316 2951.562365 Threonic acid 1873.584374 937.7157235 1699.342194 1395.579767 2486.616098 2070.942813 899.7731803 700.6114557 2202.780689 3939.813978 3292.850599 4780.162419 2059.972598 2531.589473 910.4698943 3064.469193 3117.730783 3115.385646 584.9732935 2599.748332 2753.183053 2160.306403 3643.207489 1948.985967 3235.544741 2165.885906 2269.948482 3014.86946 2348.239583 2185.182462 2251.351383 1924.118727 1259.363418 2143.94994 4346.5793 2975.403544 2330.356549 3746.619728 1595.009823 3879.998778 5024.978916 4923.827913 3630.907886 3282.026738 4771.351312 2772.047915 1759.148906 1309.700531 1676.667558 1873.384855 2298.559502 1539.632617 1750.476643 2483.160218 3611.903803 6604.971318 2540.974574 3030.031489 2067.868041 6412.260203 2234.369935 2837.444138 3265.153826 168.5929811 2306.226419 1804.80085 4578.978895 2972.212046 2763.084602 2851.557406 2620.008266 1805.224616 2820.164445 2281.967495 2720.77676 1152.477143 2239.267937 2181.252736 2649.095142 3211.435956 3043.499361 2451.997598 2610.485705 1929.285444 Threonylisoleucine 536.3009055 871.1463155 812.1478685 802.2248328 763.0453708 1004.860779 792.0598044 957.7150358 922.084833 983.2087724 901.0391626 916.6529219 772.3347265 989.1143779 65.62963032 924.9333881 793.6749163 644.1510862 788.6116871 916.0767127 968.00256 862.0397348 819.6477431 854.9774662 927.0733707 922.6703445 650.2023618 786.9576811 791.2368647 778.6925579 862.4449822 419.0950188 745.7213271 733.4012515 990.5973202 967.8722778 777.2163701 853.0472289 779.4236033 784.3326411 811.5749052 803.0383958 814.2058378 724.2128932 804.5250345 762.6209081 890.0253273 843.6592969 780.5935925 631.6215481 638.3439964 622.887736 784.5925942 1003.485807 671.1490851 589.181556 739.3649862 564.4957407 499.9644429 753.2987808 582.5073254 724.7588973 738.1562537 112.2095461 731.9273834 777.0971872 745.0171402 769.8939991 742.7892967 675.0576119 893.2379067 531.7375118 890.3125758 555.9285365 431.4506983 687.8089425 690.9369804 674.1169207 745.8855814 768.1346365 814.9525452 864.0591329 576.1380371 769.7795358 Thymidine 4214.169919 626.3409406 351.6389951 766.3992281 425.266289 1010.207344 587.2204375 763.9813346 1885.438481 702.9138201 610.0977495 688.0601904 1018.063551 848.7128217 2305.662554 486.3940756 1079.64568 498.7849788 1286.419896 1220.518423 1096.385265 1696.89468 560.2749311 1965.473703 426.5313844 1845.852146 2143.393531 1848.979927 3859.017527 1305.869916 639.0010979 2282.417546 1299.650507 2220.113471 569.1936175 961.898578 4220.23624 2113.6031 874.8201525 495.3791002 497.0801815 450.555131 826.9450695 447.9391168 1921.792597 598.0270587 516.0563685 988.2480163 5028.040207 1551.886171 1138.202305 928.0022894 2684.747681 593.8910696 359.8047228 450.3698634 2892.573467 1233.65932 2398.538337 561.1560301 1419.18503 1093.604144 881.7433294 465.6369797 808.4604176 1816.172333 870.5860211 1882.362178 2341.006988 1689.759686 1560.342739 3551.867693 3178.332944 3014.138168 3193.103711 696.9586212 1292.503804 1703.205177 2647.772969 3305.497809 1392.676665 1257.554083 1363.585633 1257.676105 Hydroxy-L-proline 1145.589091 530.4801031 450.1838312 559.4338336 444.4270694 754.3429342 628.7442416 523.2419198 1061.149535 753.8775901 490.0873816 657.7999966 1048.959278 698.541084 834.5729472 430.6246097 687.6536693 477.3983934 517.1194339 776.0473452 859.9042914 454.7756297 367.2050353 699.8874089 792.6067904 897.956297 842.2213611 1274.137131 1078.531291 951.1996335 503.3346043 546.3737803 646.409962 684.9862391 440.5007662 1049.182551 997.1132291 1018.535077 260.8391505 371.4444938 446.6036679 331.3876666 618.8222247 254.5367441 951.9159394 592.3135054 553.8597296 586.2715235 1049.413282 766.0339068 640.4378837 338.3022634 787.9815362 390.7972505 204.9700667 579.4116561 950.4852134 1132.986792 663.5693538 533.9407422 515.1017009 801.1627769 499.7500563 89.91134613 379.8931857 783.2044876 730.9523764 835.865605 836.3236483 710.5769514 923.9231118 792.3805582 786.468388 839.2304317 866.6964303 339.4449818 901.5117007 683.1996894 1822.294817 1058.935483 1341.723134 671.2959321 569.0944849 804.2552453 Tryptophan 5320.710432 6853.084008 7212.742364 6218.492683 9113.341797 8553.552484 6549.390258 8912.161123 6407.282639 10751.16293 7286.922898 7900.696327 8679.108926 7951.589323 10225.77353 7357.404538 5899.128459 6265.58674 5943.438376 8369.023254 9773.696658 11058.49959 9882.42245 8949.107423 8905.783194 8709.584976 7077.331959 10525.19599 8473.680964 8752.468478 6733.303957 5076.013043 5179.973284 8110.609694 10282.80372 10819.50701 7504.75082 7965.053641 6334.868599 8128.41793 9051.407899 8568.529813 7074.40274 8198.575356 10514.10128 9123.30953 7027.946404 8085.436567 9921.142315 6055.524342 7267.662885 5107.608011 11817.31512 6530.753941 6020.793485 9769.662155 7985.201725 6761.053901 8992.840389 9805.801002 6398.290832 8497.504112 5737.85215 877.4394961 8130.396736 8995.169656 8693.076138 7628.616303 11050.41101 10931.81377 8449.423392 8686.212138 13172.03267 7326.867211 7367.158668 6566.689901 5613.393385 7234.189557 15318.92674 8733.699237 9117.289942 8643.275346 7554.3879 10806.17412 Uridine 7796.801692 2721.216679 1728.2976 2269.464346 2956.317882 3979.277565 2198.238783 2769.632803 5026.565287 2367.149293 2411.446058 2011.807353 3951.869435 2176.530057 3988.027238 1790.514948 3387.626961 2345.178763 3278.027214 3919.663861 4725.122681 5239.216884 1592.654643 7945.966998 1776.186054 7616.952522 7134.43496 5877.29755 7610.913522 3617.438588 3414.556695 6050.12784 4251.623711 5452.298382 1765.330306 3196.402062 9375.045477 4256.810111 2338.123842 2270.505684 2378.146448 3327.221281 2379.171897 1663.254458 7595.621782 2262.993087 3364.204972 4956.997699 14922.03496 4964.830947 4683.045674 3505.51861 7761.254523 2436.839973 1583.085674 1950.224099 5919.883405 4136.777226 6742.787872 2027.540651 5079.748609 3729.692029 3719.306777 841.0399914 3938.418695 6926.813007 3298.26043 6091.276877 6567.151105 5854.651925 4777.223997 8683.310541 6581.899961 7280.333469 6730.040406 2971.179596 5820.073788 5970.69279 10408.35734 8443.230585 7188.340664 5116.7004 6563.220488 6549.911487 Uridine 5'-diphospho-N-acetylgalactosamine 36188.23173 26534.21197 17060.14167 22565.28105 18298.30927 32837.19269 22630.17762 29789.51616 40350.63136 28515.24894 26932.24577 29764.95508 30516.37805 32527.65308 33960.26887 25342.64175 32294.37344 22266.84602 27807.8164 37098.8503 30807.48624 29288.20471 24943.43147 35692.74396 25945.70612 35680.49885 34744.5896 41542.21268 62181.06025 36603.75928 23146.90013 27495.62266 26813.59744 32354.51909 25171.57127 30822.56968 54616.20744 39439.71422 23708.18763 20832.02225 26603.32298 19023.01236 24393.65012 19856.80867 38194.28067 35470.5744 22456.8232 28267.78841 31504.52862 25952.36832 29987.87768 20723.3235 38237.09384 23410.75824 15494.39173 22980.55904 41291.76659 28464.91889 35632.45775 29891.60102 23448.27357 25801.92678 24539.29002 3257.920061 24623.87375 35102.52863 32737.44839 29608.88634 33748.26463 34215.52452 32816.15327 34810.30974 34994.39189 32660.84804 27851.80403 21691.28333 29016.25859 26746.32042 51742.42777 33470.95017 35170.19469 27190.40702 25989.83584 36522.98288 Uridine 5'-monophosphate 11289.43503 11641.09068 5766.79509 9202.229298 8937.962916 9664.58554 8706.00679 9842.333134 14378.72493 9465.283428 10151.82283 11091.05092 12005.45297 11334.78851 16263.7335 7708.225468 11376.26092 9847.827301 9198.456326 13218.32679 14274.45854 13433.84617 7224.049033 15547.08769 8239.863285 16266.10956 13321.97579 21030.52466 16120.67213 12336.45234 12976.85985 16743.05726 11662.96287 9076.721325 6575.604516 11954.2732 13687.04369 10717.07429 6903.984781 7652.348057 8671.154437 9358.812932 7677.616093 5400.50219 18668.86997 14564.73806 14561.82529 18230.84207 12888.1432 11986.51428 16182.92079 13557.97873 18622.3742 9811.092879 6425.448118 7162.294473 18100.28622 12138.05858 14200.28801 8607.876348 11086.41959 12766.99066 10993.13168 2472.175251 11073.96896 16415.04372 14556.83578 11160.66102 16527.48138 20131.71226 12377.31965 17420.34465 12648.67136 13394.42486 12881.42928 9323.020097 13225.4734 15177.21237 21970.209 14792.5038 15731.61237 15122.74118 17641.80017 19355.8162 URIDINE-5'-DIPHOSPHOGLUCOSE 16219.42552 17735.5529 13231.3676 16836.30574 15931.89266 15602.39175 13320.64451 21843.48677 14388.85744 14104.80446 20338.25558 19329.01911 12186.66069 22757.40828 18966.03287 17243.16221 16508.35528 16322.76528 12082.43198 15293.33807 16237.39947 15218.70958 18698.28569 14339.66181 16227.44382 18763.79808 17608.72978 12769.77583 23996.28733 17103.94112 13089.78888 16503.06173 11160.6115 13314.18844 16096.83281 16169.78462 17325.36677 13706.06918 13141.59362 15509.57012 19380.3616 13716.77649 15898.05805 14998.33794 14940.27083 23039.18332 15320.05103 8991.285754 14867.97969 15647.86865 12913.48446 12223.38986 10115.48993 13261.11564 9529.024288 14237.62419 15155.93059 11304.58773 12356.33285 23551.23774 12421.19869 11548.8457 14747.11793 1244.065879 14342.2357 11878.25762 14727.74376 13277.91131 12296.68598 18389.12834 13977.29856 18233.84537 9791.837442 14044.19233 12080.69821 14663.40207 10046.63666 11077.66632 14633.28319 11651.46867 12203.18889 12699.88797 11913.77177 14554.21526 Vanillic acid 4-beta-D-glucoside 6297.887023 975.2777711 123.3196849 647.1886131 263.7227565 4183.280936 745.0029413 1119.01392 3112.505056 647.5997974 1095.978466 1215.181059 2033.789225 935.716568 3585.480568 665.938919 2612.788765 362.4907205 1030.16561 2067.952307 2137.133931 4064.196739 404.9595346 2708.564379 1043.273281 4342.712849 4903.32204 4162.428095 9437.450988 2369.457205 751.3690295 1959.924874 976.8322106 4204.598942 680.8405986 2353.010019 7567.092765 4428.466399 356.3502323 740.6282112 344.2518133 133.9820225 1176.808133 225.766303 4885.728969 548.6859 442.5414334 949.3730406 3649.633945 986.3252568 2240.402323 444.2311499 4399.484812 266.7967035 198.6159852 252.2036838 12343.11503 2713.122377 6443.785081 400.4872764 1462.234133 3800.539262 363.3522825 184.0772853 491.810214 4815.883082 1171.638735 2675.399954 3757.968383 2649.424265 3167.199914 4844.242567 8030.391054 5617.006461 1934.674019 614.5654523 2083.51018 1145.025081 12186.09222 4880.116142 3849.398638 1757.438461 1897.406223 923.1012547 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name m/z Adducts Formula Retention time (min) 10-hydroxy-2E-decenoic acid 185.1178204 M-H C10H18O3 11.28121667 10-Hydroxydecanoic acid 187.1335312 M-H C10H20O3 11.32491667 12-Hydroxydodecanoic acid 215.1646913 M-H C12H24O3 11.71773333 12-Hydroxyoctadecanoic acid 299.2583785 M-H C18H36O3 12.16311667 1-Heneicosanoyl-glycero-3-phosphoserine 566.3463794 M-H C27H54NO9P 12.29331667 2,2-Dimethyl-5-hydroxy-1-pyrrolidinyloxy 130.0873103 M-H C6H13NO2 2.078616667 2'-Deoxyinosine-5'-monophosphate 331.0443824 M-H, M+Na-2H C10H13N4O7P 2.2348 3,4-Dihydroxyphenyl ethanol 153.0555028 M-H C8H10O3 4.541016667 Aminobutyric acid 102.0555882 M-H C4H9NO2 1.482916667 Arginine 173.1041378 M-H C6H14N4O2 1.289383333 Asparagine 131.0460534 M-H C4H8N2O3 1.42885 Aspartic acid 132.0301464 M-H C4H7NO4 1.46925 Benzothiazolesulfonic acid 213.9631813 M-H C7H5NO3S2 9.440333333 CELLOBIOSE 341.1083993 M-H C12H22O11 1.536833333 CITRATE 173.0089356 M-H2O-H, M-H C6H8O7 1.718033333 Cyclohexanedicarboxylic acid 171.0659442 M-H, M+Na-2H C8H12O4 8.92795 Cytidine 242.0793287 M-H C9H13N3O5 1.704783333 Cytidine 5'-monophosphate 322.0441409 M-H C9H14N3O8P 1.536833333 Deoxyguanosine 266.0887584 M-H C10H13N5O4 3.456666667 Dicoumaroyl Spermidine 436.223934 M-H C25H31N3O4 10.44086667 Aminoadipic acid 182.04316 M+Na-2H C6H11NO4 1.718033333 Malic acid 133.0141431 M-H C4H6O5 1.919933333 Dodecanedioic acid 229.1439411 M-H C12H22O4 11.68998333 Ornithine 131.0825515 M-H C5H12N2O2 1.289383333 Sedoheptulose 7-phosphate 289.0319856 M-H C7H15O10P 1.536833333 dTMP 321.0486722 M-H C10H15N2O8P 2.734366667 Dulcitol 181.0713302 M-H2O-H, M-H C6H14O6 1.522933333 Gentiopicroside 377.0851607 M+Na-2H C16H20O9 1.563133333 Gluconolactone 177.0400937 M-H C6H10O6 1.67775 Glucose 179.0558368 M-H2O-H, M-H C6H12O6 1.522933333 Glucose-6-glutamate 290.0869875 M-H2O-H C11H19NO9 2.26265 Glucuronic acid 193.0349379 M-H C6H10O7 1.522933333 Glucuronic acid lactone 175.0244249 M-H C6H8O6 1.731533333 Glutamic acid 146.0457588 M-H C5H9NO4 1.49615 Glutathione (oxidized) 611.1449324 M-H, M+Na-2H C20H32N6O12S2 1.731533333 Glutathione (reduced) 306.0760386 M-H, M+Na-2H C10H17N3O6S 1.798633333 Glycerophosphate 152.9955983 M-H2O-H C3H9O6P 1.657633333 Guanosine 282.0836935 M-H C10H13N5O5 2.516933333 Guanosine 5'-monophosphate 362.0501008 M-H, M+Na-2H C10H14N5O8P 1.81925 Histidine 154.0620274 M-H2O-H, M-H C6H9N3O2 1.276183333 Histidylcysteine 239.0614381 M-H2O-H C9H14N4O3S 11.52061667 HYDROXYBENZALDEHYDE 121.029438 M-H C7H6O2 10.28105 Hydroxysebacic acid 217.1076492 M-H, M+Na-2H C10H18O5 9.246633333 Hydroxysuberic acid 189.0764751 M-H, M+Na-2H C8H14O5 5.059833333 Inosine 267.0728931 M-H C10H12N4O5 2.579733333 INOSINE 5'-MONOPHOSPHATE 347.0397261 M-H, M+Na-2H C10H13N4O8P 2.30565 isorhamnetin-3-O-rutinoside 623.1613923 M-H C28H32O16 10.76995 Kaempferol 3-O-sophoroside 609.146213 M-H C27H30O16 10.31928333 Ketoglutaric acid 145.0140727 M-H2O-H, M-H C5H6O5 1.745233333 Glutamine 145.0617437 M-H C5H10N2O3 1.49615 L-NMMA 187.119691 M-H C7H16N4O2 1.363866667 LPE 18:1 478.2936521 M-H C23H46NO7P 12.13601667 LPI 16:1 569.2728513 M-H C25H47O12P 15.1906 maltotetraose 665.2145056 M-H C24H42O21 1.522933333 mercaptobenzothiolate 165.9787944 M-H C7H5NS2 11.52061667 N-Acetyl-D-glucosamine 220.0821675 M-H C8H15NO6 1.67775 N-Acetyl-DL-glutamic acid 188.0559149 M-H2O-H, M-H, M+Na-2H C7H11NO5 2.406366667 NCGC00180490-02!5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one 593.1512245 M-H C27H30O15 10.65778333 O-Phosphorylethanolamine 140.0117358 M-H C2H8NO4P 1.42885 Orotic acid monohydrate 155.0096555 M-H C5H4N2O4 1.772266667 Ortophosphate 96.96902227 M-H H3O4P 1.536833333 Pantothenic acid 218.1028482 M-H C9H17NO5 3.983933333 Phenylalanine 164.0714865 M-H C9H11NO2 3.147433333 PS(18:1/0:0) 522.2835039 M-H, M+Na-2H C24H46NO9P 12.74046667 Pseudouridine 243.0619274 M-H C9H12N2O6 1.731533333 PYROGLUTAMIC ACID 128.0352729 M-H C5H7NO3 1.482916667 Pyrrolidone-5-carboxylic acid 128.0352636 M-H C5H7NO3 2.565583333 Quercetin-3-O-vicianoside 595.1306913 M-H C26H28O16 10.31928333 Quinic acid 191.0556163 M-H2O-H, M-H C7H12O6 1.9069 Sebacic acid 201.1127494 M-H C10H18O4 11.26795 sn-Glycerol 3-phosphate bis(cyclohexylammonium) 171.0061001 M-H C3H9O6P 1.563133333 Sodium gluconate 195.0506269 M-H C6H12O7 1.66455 Suberic acid 173.0815837 M-H C8H14O4 9.1941 Succinic acid 117.0192886 M-H, M+Na-2H C4H6O4 2.3651 Taurine 124.0073422 M-H C2H7NO3S 1.46925 Tetradecanedioic acid 257.1751013 M-H C14H26O4 11.90581667 Thiamine monophosphate chloride dihydrate 321.0486467 M-H, M+Na-2H C10H15N2O8P 2.401183333 Threonic acid 135.0298128 M-H C4H8O5 1.718033333 Threonylisoleucine 253.1170093 M+Na-2H C10H20N2O4 1.67775 Thymidine 241.0823823 M-H C10H14N2O5 4.343266667 Hydroxy-L-proline 130.050854 M-H C5H9NO3 2.679816667 Tryptophan 203.082152 M-H, M+Na-2H C11H12N2O2 4.2459 Uridine 243.0616613 M-H C9H12N2O6 2.168616667 Uridine 5'-diphospho-N-acetylgalactosamine 606.074482 M-H, M+Na-2H C17H27N3O17P2 1.758683333 Uridine 5'-monophosphate 323.0280235 M-H C9H13N2O9P 1.745233333 URIDINE-5'-DIPHOSPHOGLUCOSE 565.0479613 M-H C15H24N2O17P2 1.758683333 Vanillic acid 4-beta-D-glucoside 329.0865756 M-H, M+Na-2H C14H18O9 4.671083333 METABOLITES_END #END