#METABOLOMICS WORKBENCH Armando_Alcazar_20240926_154142 DATATRACK_ID:5232 STUDY_ID:ST003729 ANALYSIS_ID:AN006117 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 POSITIVE MS:MS_COMMENTS Data-dependent acquisitions were conducted in positive (ESI+) and negative MS:MS_COMMENTS (ESI-) ionization modes. For ESI+, the settings were as follows: a capillary MS:MS_COMMENTS voltage of 4,500 V, nebulizer pressure of 2.0 bar, dry gas flow of 9 L/min, dry MS:MS_COMMENTS gas temperature of 220°C, and a mass scan range of 60–1,300 m/z with a MS:MS_COMMENTS 0.6-second cycle time. Collision energy was 20 V ramped from 100 to 250% in MS:MS_COMMENTS MS/MS scans. ESI- used a capillary voltage of -3,500 V. Internal calibration was MS:MS_COMMENTS performed using sodium formate (10 µL of 10 mM injected at 0–0.15 min) to MS:MS_COMMENTS ensure high mass accuracy. The raw data was processed using Progenesis QI™ MS:MS_COMMENTS software (version V3.0.7600.27622) with METLIN™ plugin (version MS:MS_COMMENTS V1.0.7642.33805, NonLinear Dynamics). This involved peak picking, alignment, MS:MS_COMMENTS deconvolution, normalization, and database 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 1-Rhamnono-1,4-lactone 12876.55896 9641.495757 14211.21937 9602.786662 12561.27729 6747.227537 9009.127912 9615.793016 7442.400502 10786.14967 10724.76093 10350.96968 8822.533456 7030.438367 10785.60068 11426.53175 8489.527582 9814.122185 9068.422812 8194.639819 9805.490876 11030.47366 17346.25236 8437.503762 10674.23226 7736.363555 14544.12502 12283.19367 9337.511707 9044.850611 8938.601125 14009.88201 5991.141283 7851.611775 11702.00941 11580.9754 5820.659906 8817.861361 10700.40792 13615.0414 19532.99083 13231.78997 8742.9494 11834.74533 10912.57548 17131.94666 10660.4924 9047.828911 7835.078598 11162.96563 13006.68716 9955.878881 6131.956925 9848.154044 11597.64045 22141.51074 10488.35647 12183.47976 33707.77203 15935.8304 28118.25344 10738.63171 18974.31321 2402.548751 8936.869526 8331.897518 11595.93818 13467.66604 5856.961211 13528.23331 7655.89792 15903.19109 5982.585515 11187.8591 37545.61263 14264.91217 11675.8283 14053.28736 9717.48884 7303.489805 10572.58536 8414.212672 39657.81701 14892.90111 2-Amino-1-phenylethanol 26360.90495 52064.63259 54320.59325 37024.83463 57205.4135 54310.41574 51867.86256 62670.13077 44554.30483 59192.88342 71696.83048 45441.79168 41358.8798 48147.53708 54821.38809 58271.89944 38059.9108 48951.47886 36916.79257 48254.97658 54385.31029 60346.63565 59596.50462 47466.35079 52734.87554 47981.53829 45187.79002 57199.1068 34006.93462 54626.50151 49352.79835 41934.39206 38274.0328 37146.99837 71373.59899 70326.08294 20512.16902 45626.35646 41907.29766 55190.52307 80384.90351 66800.48809 45902.92198 55878.87194 56788.39137 57304.80602 40372.76061 60604.56599 45053.73237 53335.15293 43050.13898 42636.85295 43928.83818 53742.89603 37439.02458 50679.53102 32918.41431 40622.68315 35172.22278 60749.31499 32033.20655 34812.61178 45158.14596 3318.388873 49686.68232 28487.12674 50684.13016 49719.32818 42684.98447 50822.33363 43637.1262 31773.5119 30582.87202 29856.66181 48119.45978 50432.19922 35677.11452 51222.97852 46406.37185 42998.71111 41819.46767 55204.19368 43049.78092 59519.53781 2-Amino-9-[(2R,4S,5R)-5-(hydroperoxymethyl)-4-hydroxyoxolan-2-yl]-1H-purin-6-one 2703.84834 704.2176671 682.029458 887.2998009 735.1331906 1764.179147 923.0187193 1202.720806 2193.279803 790.922478 1048.131975 855.8177295 1500.807894 732.7244016 3590.696971 664.4843557 1561.634623 815.7376933 1334.287201 1945.86932 1461.0574 2234.947515 948.4018197 2837.848902 488.1824888 2724.61045 2505.834417 2602.033553 4919.765409 1290.313876 902.320312 1666.483417 1419.630883 3090.615077 868.6236987 1451.658124 4476.795792 2312.985734 621.977264 1105.897727 993.5762662 357.9570981 645.3301078 673.0879956 2518.849145 738.9560839 591.1323646 833.6463669 7610.064495 2320.916225 1367.712344 741.5713647 3245.841153 533.2758715 465.9577741 800.5709759 3214.581788 1450.187569 3411.934117 864.5076516 2115.08195 1001.458245 806.0376193 167.7731162 1191.815119 2516.019786 1333.263242 2443.739042 2644.624722 1819.062366 1450.492918 2584.820346 3207.395365 2453.66669 2087.280489 831.2775368 1053.739425 1647.368635 3705.538801 2652.669452 1198.043623 1312.667595 1720.998796 1672.543911 2-Deoxy-2,3-dehydro-n-acetyl-neuraminic acid 129.1387799 71.70342858 77.39833496 117.8433845 121.099323 104.765396 103.0028016 80.70168308 91.89457608 77.44151911 90.33557194 114.5171204 81.27117964 106.172094 103.1940031 103.4772561 141.3164114 118.1999962 177.2577835 127.2596099 98.50592057 124.1058192 86.28283399 152.9588611 64.97305593 109.3691728 117.3847737 124.2185864 166.3987378 113.6670811 88.92399988 556.3223492 107.5245311 337.6507992 99.01898201 96.343807 103.4700958 510.9787373 180.5868767 109.4653548 133.906923 128.4662124 97.10401459 126.3846583 169.7613142 87.09444746 72.08179818 126.3358242 1182.385663 193.0397371 94.55926226 161.1180469 582.7687244 174.7958669 78.79940773 115.0421346 118.6919425 288.0556369 566.0941534 151.2269878 188.5936939 125.7926069 492.3819964 83.16155671 134.4606301 90.16678688 92.64294041 108.3219865 1071.315354 379.7070942 112.1342052 553.1076689 127.5731881 1070.528427 537.3057043 273.084426 174.3624929 586.6897823 183.7347687 107.1269978 90.70455148 116.3699823 221.2639559 215.429704 3-Hydroxyproline 622.7351881 307.4176923 214.8496425 265.9328494 230.0990654 524.9207868 330.4517634 299.9709139 722.3362322 360.4631471 197.9105188 365.3732561 622.3688429 384.6733792 598.8931677 249.4675743 454.9123502 227.2933152 323.3011946 579.506557 384.1554997 236.816538 186.4778732 464.0617508 374.9669833 622.0380727 540.5315265 926.7562113 722.6708628 675.4164435 286.3352702 371.1739008 390.9534585 473.7487497 223.4874534 544.4279 621.671929 689.627505 138.0345249 193.2020066 284.083363 192.9790254 306.539569 170.0871936 667.9628218 320.3638523 319.6455146 364.2098394 627.2397096 365.8759392 284.2962566 234.7114756 605.0398643 224.7842534 120.1154039 285.817487 736.1618613 569.6487216 473.370869 299.5382966 312.0905095 423.5007051 275.8844335 59.63768 220.0544671 553.5553068 427.8010319 505.7303159 678.341191 489.019467 481.850795 645.2872107 613.7007756 516.3441083 426.7225876 159.1957419 533.6625562 406.355183 1343.822424 601.4503131 711.8651444 328.7050698 324.5788549 466.7920295 4-Hydroxybenzaldehyde 1551.048789 1398.411143 1752.289383 1081.385093 1952.030246 1779.855744 1695.214905 2047.301271 1740.857334 2241.970695 1977.463106 2296.544883 1566.048308 1853.198083 1770.779838 1625.023892 1449.660208 1199.470245 1402.619813 2026.305588 2124.141626 2706.655347 2102.884235 2051.08728 1966.691078 2416.038709 1539.629968 1999.707574 2593.498963 1954.544834 1609.16914 1400.8671 1113.430676 2567.829011 2217.409572 2124.972339 2250.806294 2240.07456 1353.883158 1606.129296 2362.731736 1824.82429 1565.960558 1783.443406 2157.135808 1471.545874 1414.704602 1762.157688 1773.489976 1353.577437 1156.77247 1340.329537 1747.850719 1428.146682 981.911453 2001.918056 1667.965743 1315.467416 1596.009988 2118.472888 1105.15222 1397.146825 1117.584314 194.1255268 2378.124232 1576.481218 1604.301519 1923.87003 2095.71152 1656.337748 1242.02005 1525.481758 3723.533743 1558.075999 1549.759883 1476.532636 1392.643285 1798.917665 2525.052675 1768.211606 1667.712959 1702.801337 1587.225491 3018.898449 5-Aminopentanoic acid 2862.472753 1371.485666 1852.271508 1420.348557 1386.997471 1518.158163 1267.1381 1377.095605 1396.806136 1702.298641 1767.258374 1367.175163 1469.328537 896.0883631 1325.390116 1765.533787 1302.681246 1401.223552 1270.69464 1856.611257 1523.276107 2108.113654 1890.159459 1837.587871 2090.463993 2011.950784 1516.773626 1920.114109 1811.050374 1629.743627 1685.101731 1751.934034 727.3722357 1402.4971 1432.861327 2344.433392 1558.689409 2821.174529 1367.844814 1985.428118 2717.483005 2009.542022 987.5689414 1789.183498 2130.836492 1574.841812 1074.042989 1201.518523 1500.993212 1660.371987 1163.463959 1504.866252 1225.271308 1574.478347 1166.312401 2002.229583 1181.696638 1027.85334 2758.715757 2188.773568 1492.127918 1501.815257 1673.955725 208.9817471 1377.470645 1470.173541 1667.113009 1665.655705 1704.015401 1485.109721 1582.75775 2289.20733 2234.334878 1761.974486 2428.979346 1349.912979 1173.318425 2386.26649 2118.714321 2410.025874 2183.2772 1327.37245 3527.207951 1967.002078 5'-N-Ethylcarboxamidoadenosine 1154.096869 1058.492759 799.0301521 1026.911426 1171.211474 846.5793219 712.0026802 978.9840252 656.8019201 916.1756217 1027.974103 1394.459922 673.7094831 937.2994351 619.7188006 286.0787147 578.3172552 765.5244484 1045.042437 680.7745177 1129.586962 1227.984004 582.0142855 1654.565401 445.1649113 459.0205417 363.3115508 323.0473455 327.8872883 2178.312712 2145.625381 372.4949663 409.6597131 382.2335682 321.4422004 396.0046879 356.7045429 539.1067651 462.4961868 255.8716259 565.0206012 346.2077353 327.3999135 457.993742 506.7229378 613.4637794 435.3567283 1989.631787 1167.231641 319.1270125 312.5819405 258.6433461 383.3685377 314.9234363 232.1192969 469.1769268 381.2794675 695.9716293 1414.263864 1283.686896 452.9437279 436.1723756 1062.108616 227.8863031 537.3759163 422.4045526 810.809598 746.2053842 1060.579668 1246.836883 473.6659447 1353.556811 867.9884579 702.2938348 1000.31018 776.6529582 985.735602 1248.088799 2211.648373 1053.010563 1143.919543 1294.34325 2681.085082 3270.811737 8-Oxo-dGMP 5194.795473 5263.518858 3948.052725 4467.210439 5244.733838 6151.770481 4459.620662 5102.402205 5495.631044 5280.018112 5746.25624 5094.889478 4985.231139 4520.78999 10002.12144 4427.071424 6355.460135 4932.85762 5051.472196 6480.278971 6309.578885 7663.261676 4555.008298 7677.06587 4738.549206 7737.769005 6099.03249 8790.684893 6913.265937 5960.770455 7048.727126 8867.21844 6183.57843 4479.161174 4817.130673 4910.714835 4888.966623 5068.292284 4775.173955 4724.704509 5866.093603 6236.482841 4081.603162 4639.721548 8998.936911 6613.79591 5125.737464 8388.106728 5204.37425 6109.452608 6514.776356 6061.573263 7648.747053 4863.109362 4174.714393 4973.130658 6296.877373 5649.743411 9033.308531 5576.38902 5232.289949 5643.963667 5492.566425 2594.044317 7022.736407 6207.350776 6260.886612 5651.026218 8542.910542 9508.543191 6436.506652 10088.90371 7104.800864 6167.942292 7757.162508 5697.955057 6657.144209 9407.16595 9231.394591 6451.978267 8843.436828 6081.833831 10170.80663 10061.46592 Adenosine-3-monophosphate 11215.11917 18634.69486 6986.498889 11424.397 14162.82062 27530.71883 12703.90515 18789.07071 21330.67337 17851.47851 20660.10295 17110.01817 17415.36426 11722.45412 22164.17883 10288.82595 29395.92004 14432.43241 18520.46838 29976.84067 22849.18369 31052.15204 11333.21966 36526.92293 11216.60441 33097.74938 18729.41884 32373.56764 27453.71089 23130.29063 28689.74389 32378.91293 26283.71888 14263.3338 12740.10845 12683.42592 15573.41065 14636.99736 10720.82533 14262.03366 21048.29436 27123.18525 11712.09663 12380.50204 44407.86514 19115.40325 18039.86984 33057.03607 13212.84558 24259.53456 24525.16795 24097.608 37428.30809 17081.38935 10562.55284 12464.24523 22293.7571 16836.80965 27840.2366 18071.42623 12836.79349 21434.42542 18579.88417 3181.932288 32412.21699 21803.69976 24094.07365 17825.95193 42809.63353 37041.68068 25071.3682 42351.82069 22999.90276 20913.36255 19691.04604 17907.70108 27432.97427 45589.53843 36554.9153 21999.0868 37844.50514 20669.77729 40639.22832 44584.62822 Aminocyclopropanecarboxylic acid 9657.552994 16933.53331 11784.66341 11801.30319 17165.49307 12926.33098 8367.319483 17057.42833 10475.60178 20444.75407 18558.03724 11484.70264 9629.734281 15283.26677 7485.409786 14894.77029 16434.81639 7309.480557 12089.16617 19520.29581 13664.4104 21590.02407 19836.11222 18664.60452 12220.86942 14672.9201 13485.11319 16489.55272 18717.90069 22185.24266 9735.501923 14990.96753 14953.53318 11057.13943 21077.28876 17011.94303 15361.14201 13518.74641 15113.50849 15702.78136 26463.58369 17371.81987 10507.76616 14691.84958 22318.1477 18718.97272 15916.78201 15526.1959 17029.85893 19001.03484 16007.7413 11137.05166 13762.43835 14866.4653 8419.401726 15096.83342 13336.40518 13119.98694 21595.94484 22710.70936 11550.80816 18608.16276 16172.63726 1567.188994 13901.58726 12260.46695 15911.22677 13696.57219 10406.92686 15472.9724 14977.90212 23419.25865 15357.21227 12679.1472 15003.17423 15418.85183 13819.08481 22891.31353 12786.07728 15057.67707 15352.99066 11278.04605 20322.32799 19006.91997 Aminoisobutyric acid 517.7592508 290.9928128 255.3410964 250.2372992 312.9844992 256.8088092 175.3022796 248.4210238 317.0497668 363.0306548 261.0052557 252.21207 390.0356478 282.3516033 232.1515636 302.0614661 285.1391902 217.239478 307.8173977 329.2658273 420.1580658 330.7960998 409.1696044 555.1762213 321.3246755 310.5091508 638.675871 551.2398695 462.5275783 332.2896354 302.1120478 497.079675 220.8542701 330.4814794 365.370387 480.8516081 342.7670961 418.1287573 281.0760527 351.9093358 426.8423339 290.8986415 333.1230605 223.3177297 416.9831849 534.6900147 313.3398505 335.4838779 347.3098012 455.3964831 443.9509941 245.0129695 292.5859705 393.3683029 252.9328828 494.1775641 626.804952 454.8126519 770.4762392 425.0980174 603.8642604 339.5593038 447.2244667 31.72457407 290.73006 439.9111704 396.2322456 479.4659799 293.8719225 731.5151192 369.4102153 752.412086 329.9435994 424.0552764 970.5026922 398.4749837 524.148111 494.6298089 562.8354178 457.9516443 539.876855 428.6155888 718.6918156 691.3949178 Anserine 516.259856 489.8336211 677.897238 463.4852997 557.837855 315.7959956 477.2887165 508.2123595 349.0894823 541.5095136 549.5032075 488.478109 456.2076032 333.1470745 247.8737599 605.3104884 476.3727601 407.7914863 422.5460298 423.7043731 474.7012953 533.7121383 819.2099986 403.2154381 490.8094762 343.0650414 569.3891109 550.9493874 347.7429477 443.3263336 370.9955403 346.9050211 343.6392406 576.2065371 544.3518766 566.2168327 350.9746859 672.3022384 444.285617 635.469598 711.2566563 602.5462795 398.7893056 430.5459026 503.8183338 520.0583491 555.4408378 381.9811254 1086.233187 587.2392151 608.6272411 351.0396662 445.7233005 476.8301551 476.6331417 556.888569 340.32526 603.8951463 792.7821278 611.0518092 702.6426973 515.6020996 734.883009 261.9163911 410.8354216 357.9786679 527.6812072 639.8448013 471.5279568 595.8660295 383.6076822 519.1962073 283.4383315 782.7386364 1108.570552 755.2368515 485.0480652 856.2632375 592.3941416 378.4767536 443.0694206 391.8437176 677.6158341 599.27122 Arabitol 174.4847857 232.9315683 155.6131889 193.3904779 260.3978241 256.9953405 167.2455071 224.6044092 292.9949988 199.9627838 210.3632148 164.7160049 256.6158649 343.6505706 180.3519406 168.9220224 276.6411 110.0340718 304.1156108 485.0314861 265.6642313 223.4927235 165.9854935 532.0444379 157.6467171 231.4290222 218.7052193 262.7504345 297.4243731 283.2650889 190.0273782 267.8717051 277.0476403 401.133242 196.0452814 210.3176305 540.2130317 421.288028 151.2480015 165.3472703 155.7381269 118.5346566 185.7229305 112.6421848 297.4927141 200.7563182 195.4394201 217.3359587 339.0201063 234.5433165 236.5751039 159.4572989 341.1456058 189.0297713 126.8644429 91.67049111 226.8866363 233.8737755 180.1528776 127.2246888 130.9760425 312.7208365 138.2320359 212.043416 162.2836754 531.1099362 220.5663892 217.8350712 335.270606 297.7820696 243.0029852 272.9541252 336.1092058 314.9719755 159.3431533 203.1927478 249.6618612 226.1178762 258.710344 253.824655 260.2915568 189.7661598 145.6882269 214.0761813 Betaine 223.9747132 79.90141699 67.94588902 188.8590653 135.3163652 94.87377205 101.2303931 122.6277696 104.1865734 80.86449728 108.2508111 87.43427907 73.91237072 94.17912595 42.85120984 83.73568927 133.8090102 92.58452744 160.88788 101.059766 77.27143266 69.75955935 125.7537501 326.6464636 85.45144491 95.30252914 240.262548 103.4676277 181.5313975 206.9137681 102.3301378 1135.462993 132.4959262 920.9219075 72.90792674 113.1456449 152.9931798 151.7854717 278.7710053 128.5385861 188.7243371 160.4004356 265.3800604 254.7318009 215.2192531 172.8265593 219.4059354 318.8271028 2089.596384 853.9187019 479.1505509 1055.63269 1269.23013 303.4243787 172.9508619 429.133832 293.9111239 535.9862495 615.7629542 289.8961655 1434.241405 554.3869982 666.6824474 79.96105117 208.0707403 169.8920851 175.9503846 144.8218131 1548.683921 564.4072044 205.9481738 1810.663718 118.1199341 1901.669925 1443.23954 1008.523309 336.5936346 1105.821824 334.6974092 291.7640389 113.5220869 176.7437643 376.3653011 481.0214494 beta-Nicotinamide adenine dinucleotide 908.48716 1961.252189 1472.794302 1431.416563 2083.85745 1777.152578 1202.221616 1940.885478 1563.60726 2505.978504 2295.940704 1838.665023 1446.784053 1874.266207 1690.486101 1896.802834 1909.010692 2146.762326 1248.045445 1690.669287 1922.597722 1654.866739 3016.817215 1445.634609 1774.732415 1712.336387 1546.281097 2106.810332 1972.571686 2256.960654 2149.410205 1714.119747 1463.475681 1632.25845 2242.174611 2195.648838 1454.824228 1700.887496 1663.990715 1982.4403 2494.070538 2067.558668 1713.244542 2278.023759 2144.709505 2450.614202 1217.920474 1779.715757 1539.197622 1826.947279 1481.943068 1246.41036 1545.972103 1726.315077 1086.670548 2433.727382 1634.766907 1357.86936 1668.499736 3332.370927 1490.448691 1561.722482 1763.263302 109.9038414 1922.105568 1021.327937 2192.789341 1195.275251 2192.391666 2236.424329 1671.970637 2738.541074 1342.140209 1284.220493 1600.696462 1854.600905 989.5892613 1987.998582 2034.178144 921.1198312 1345.023981 1164.187731 1635.148938 2549.464861 Cinnamic acid 30.39204752 68.83574557 42.66175641 41.19673746 54.75743664 48.86561262 39.4893405 47.18851272 38.49407227 55.40708635 47.87126371 47.02187054 44.2161772 137.1599497 52.22260353 50.81233327 113.1660921 44.54808741 67.78581099 43.73139155 30.93206888 42.20192439 42.79890984 48.42666764 59.33736462 49.9134865 48.03904251 50.34309474 49.90850905 33.88597221 58.12814238 43.14320484 200.332928 39.80459766 46.08076725 50.72656849 41.78487091 24.66915201 45.52146091 40.13588101 30.84600851 31.11978801 37.03294931 55.90509039 41.43584936 48.64358743 41.9564748 44.18095982 42.446067 59.66247716 41.41434216 32.13378044 43.16279154 36.88403443 50.17188876 47.45532455 43.68302302 30.10981934 33.17082398 32.72783942 55.17565248 46.17578872 44.21594574 35.40096675 33.08530948 44.20882742 54.93842952 37.60422961 31.64115776 31.69482064 42.47725162 36.53387049 35.12803014 30.02065676 32.89859574 49.640617 35.60524912 41.26652972 37.50347329 23.60669798 40.87211079 51.91647475 37.57421684 32.79025993 Citrulline 345.2699711 729.6188059 578.1524041 549.162416 934.7622167 853.2001374 482.3413057 752.1009338 454.7876855 802.851687 1090.887342 747.9738666 592.6233324 787.6213791 549.0587484 946.5260258 728.8855613 724.4513654 690.0743067 784.8693298 575.7355236 965.3151329 983.9997395 818.3536068 630.3219715 974.0982711 481.657466 530.803809 718.1249552 808.5079247 873.9888323 850.9178817 630.6257541 580.385964 1154.019507 710.5561349 444.0895329 456.8943563 844.8672786 728.1795205 1264.130827 1171.566767 592.0162316 1092.406824 876.3249044 940.3561088 659.4462312 915.0941148 472.2957412 731.317455 638.4838655 918.7730641 798.6056029 904.1386843 564.4677029 794.3200711 588.2060128 496.130728 958.0412896 1338.535817 639.3795698 832.4571159 694.8219398 181.1662103 996.5112563 381.4054117 762.0959768 673.530664 957.132074 745.8874961 632.8306804 806.8423792 1091.103223 543.9963412 516.7953694 674.5408697 397.673298 853.9119642 460.9392432 512.6670899 475.5932477 668.6572756 778.201485 935.2628852 Cysteineglutathione disulfide 947.5684786 1168.134992 849.7042878 1004.621731 1191.81567 1438.162621 734.1278989 1008.819097 1003.725696 1187.549562 1361.320248 955.9970358 947.4575391 1002.26562 1435.344476 986.4240524 1220.779522 929.4909864 1088.096745 1650.554741 1075.560821 1796.629744 1385.720469 1528.957682 1065.077292 1333.572537 937.3087201 1136.156977 1760.017621 1342.223586 975.6754736 1022.1356 990.3054731 1342.916625 1562.413411 1632.112666 1618.44319 984.156815 1411.681757 1205.913397 2078.342594 1315.638964 1073.369568 1039.401231 1356.423585 1599.937611 1422.067634 1276.021785 1129.10141 1417.343603 1219.312227 1007.471051 1394.239255 1304.170384 802.8182168 940.5243482 1296.653249 948.9683913 1171.890605 1561.09764 806.9694882 1203.604825 1391.5584 428.2019561 1661.252247 1249.432 1135.636232 1124.761017 2004.241251 1234.337117 1121.681774 1297.526444 1695.933549 1201.852561 821.672723 1089.554943 807.8066823 1420.371248 1149.481179 1094.659721 1063.456993 1103.113136 1178.228003 1731.694073 Cytidine 5'-diphosphocholine 985.0966975 1020.695732 1362.256475 1037.600562 1373.606026 1055.535717 709.2451547 1336.010606 891.4060665 1032.466679 1990.528691 1050.405959 641.7321472 686.3234697 3054.309505 1237.18151 1011.8393 1171.393571 768.6317394 795.4859992 1097.188694 1879.405836 936.4008771 1523.868537 931.25432 1817.501454 1150.821447 1185.729618 1672.02254 1078.398321 1026.851522 1870.491153 911.4860436 1269.447427 2355.894123 1471.680236 1120.383814 816.8215477 946.6753982 1072.392975 1201.06074 1457.728651 1050.045454 1465.278587 1438.236946 702.4273325 804.379964 788.1819953 1053.710244 1131.035385 1123.490306 1728.230906 1237.365671 791.3487649 772.8369539 901.4682722 967.9478802 1025.688963 1203.423165 1219.936625 1390.711659 976.3056822 1346.409131 194.0245138 1249.041465 759.5988104 762.9665722 709.5178023 1138.159512 1312.557032 776.0893532 1472.611765 951.5528066 968.0198341 1153.821655 859.2889004 683.2506178 1191.350498 1044.727424 794.8392365 877.4551896 984.006364 1873.806399 1559.398478 Deoxyadenosine 306.3290572 210.5018828 209.0002122 164.8076483 342.401039 172.4509205 101.9127484 192.3725251 142.9395177 251.2460693 250.3990696 167.2553707 166.7820629 204.3744609 122.2105781 91.0728758 166.0240075 137.3236895 369.0877968 192.5664728 194.4630233 233.2387263 101.8755428 411.5895483 63.40732869 185.1869944 173.9526496 122.2024708 254.6217814 233.3143623 231.9760887 275.8461224 133.1465072 304.8861128 125.9340662 126.3060068 220.746457 293.2857892 129.1410116 96.58622953 104.316446 86.19410935 110.957447 73.67075457 133.0265411 112.5886312 102.8499459 270.3538249 515.5821844 192.7540978 121.8155245 113.064746 327.0010012 129.79265 59.31642979 88.64442604 156.0874361 210.167675 1445.073137 198.8663112 124.17582 151.8050092 192.3401916 76.1474275 164.1859281 162.1193171 203.0892783 163.0393774 360.9575668 254.4506771 160.216672 274.4027819 207.1494638 674.0245273 288.3113721 193.9131407 210.6061149 304.6928244 316.0589001 223.8753068 185.2869286 215.5267181 315.2386339 411.9753163 Deoxyfructosyllysine 1583.585232 1133.724156 948.6704199 785.8116351 1460.535474 1399.026369 1007.547777 1311.46161 1386.279938 1348.888695 1159.639913 1861.710541 1100.622832 1243.058813 2123.943609 543.8247567 1142.395401 1249.993578 2046.206102 1364.870118 1520.687857 1535.8568 599.6212433 1718.266637 473.2987468 1292.438851 845.4803984 925.0914643 1928.36834 1798.33136 1710.985089 842.7608416 862.5558127 1439.075703 639.3239636 980.4558203 1970.931512 1894.906576 639.2266062 490.0234568 620.6919203 474.8101312 598.1117934 666.6221729 1114.169145 1011.185862 604.8216568 1591.860518 3918.501397 954.8306817 846.2904 516.2414713 6020.803404 1065.259219 528.3682611 448.7836067 1174.946482 1521.654923 12803.69483 1274.362863 1415.145082 1023.883171 1981.987102 271.1840209 912.9003244 1289.681473 1103.461336 1684.911443 2794.117834 1814.634382 1145.006329 1326.465471 2301.389754 8150.604107 3114.944986 997.6276406 1332.235478 8817.398559 2140.576631 1573.634936 1644.609484 1360.088748 2127.226572 2193.999485 Deoxypyridoxine 7240.310258 6596.63956 8341.109964 4848.045095 8755.14428 8513.463231 8381.883017 9885.515921 7840.857414 10174.86138 9317.623523 10719.93804 7410.249975 8626.409337 9056.287368 8011.831218 6861.63098 5684.897126 6732.133284 10488.68109 10332.85636 13511.2121 9127.957451 9723.35955 8997.530454 11234.21974 7114.616166 9750.057861 12182.49184 9446.147069 7658.06334 6504.780827 5065.807667 11655.61089 10582.43645 10263.46609 10747.91932 10822.69319 6097.636841 7336.923783 11396.37295 8528.574225 7523.583064 8774.417487 9979.523665 6937.76356 6359.285316 8315.437195 8025.866322 5974.331004 5016.384133 6368.250184 8456.54803 6744.433717 4326.902672 9000.899258 7683.670713 5869.850175 6925.941627 9192.182463 4543.357473 6351.72084 5163.22958 579.6406492 11602.9991 7385.406259 7923.211013 8871.365531 9964.814162 7593.323344 6156.425005 6706.964519 17838.79234 6955.968162 6836.623596 6664.338022 6718.642512 7651.824057 12777.01087 8467.394159 7665.44226 7918.001658 7348.452332 13689.5246 Fenoterol 126.0910774 60.52735289 79.81372565 105.0187381 119.8494227 115.3054381 68.90362021 89.76748992 75.09205875 79.38896134 81.45224856 88.90314434 69.46094423 68.5580571 135.6940009 69.17914147 84.32012786 78.4052359 129.1839994 84.35658701 78.62012392 121.6776997 85.16228021 127.0553393 54.34379815 97.71583672 114.0798585 71.78065893 134.9951749 96.41106386 98.26750994 120.809954 58.80327953 812.1615976 104.0420784 85.41753596 126.410392 155.9991839 90.04856572 67.48393529 91.1259695 71.27908952 75.25255684 84.90573533 93.22603759 80.94123024 69.9917376 100.8494198 1035.494131 634.7173203 66.84312786 140.6416496 131.4780528 100.4101253 46.25453912 78.57104118 109.425399 110.5305655 186.1689991 154.6989769 553.8345958 113.8785965 458.4234699 50.43174551 70.14592492 99.42830998 94.65122997 133.678231 540.8893024 332.6528256 91.15747792 256.7935252 176.7786069 325.4922311 302.0589031 303.5793931 163.1011373 2093.950585 314.4346159 407.576191 84.94011121 147.6167234 137.8453359 213.1297064 Galactose 337.2074063 640.5274525 350.2894806 434.1537283 789.5392495 699.7462488 370.6691566 578.5882421 421.0646693 641.5050753 1016.100664 432.2968752 389.7020808 530.2878227 837.1379545 609.8701048 1005.717283 578.9828701 1060.181622 1100.626143 605.093536 1220.066483 634.7498795 1167.279329 390.8238469 961.1318946 559.6432093 434.4638114 794.8274565 779.0050149 745.7716895 1274.436286 979.9327632 803.1713812 792.9026786 386.1713462 654.508167 374.6565392 747.2418588 677.2640554 977.6929684 1340.785372 692.3423842 872.3069352 667.5752258 894.0274826 676.536681 990.372439 921.3034352 924.0224467 710.7799084 1269.319283 1143.954901 1083.48413 786.9272204 758.4952937 779.0073735 501.5132072 817.4204194 1016.609172 909.0063063 909.5071224 887.3757691 423.2478975 1175.890465 698.498049 719.5854689 526.1712717 1181.388871 694.1920148 753.1474087 1097.503505 843.8545805 707.9016086 485.0068041 936.9631373 524.3759642 1309.548661 645.8033076 501.7736494 655.5923296 749.8760787 1295.008464 983.95829 gamma-Glutamylglutamine 1657.785204 777.0618113 387.0771517 741.3000701 499.1530942 926.8836865 564.3419695 699.2988253 1031.443355 761.4788094 730.0069348 892.9238286 552.995939 641.227827 829.8017581 440.8580422 703.3359038 471.6646009 704.143994 818.9462881 588.7451509 700.6448713 442.2639539 861.6224332 539.1677583 931.150169 678.1054705 885.1299659 1211.57999 1814.126872 611.6220387 949.2541008 946.6651098 708.6784824 512.8777208 824.5451587 1125.633569 885.8686956 724.0744007 398.6789998 636.4177238 325.5056995 753.1397795 353.4052839 1187.74405 1358.095424 577.8027865 1226.553075 1617.244395 1193.783518 638.924759 422.6494214 1140.93479 471.4447799 257.7738164 450.0609047 1247.263917 949.2536826 1272.938246 718.1181541 527.7482092 907.7932088 653.9361697 151.3390635 578.1348377 567.0503315 982.9119611 673.1834964 1560.62641 1294.995393 967.4879656 2256.008682 1415.338904 903.0088014 1518.788694 562.0744795 658.622575 930.4583141 1395.998377 1179.142993 929.8260372 643.3764137 956.6346472 1061.156973 Glutamylarginine 110.2172365 108.3290819 66.87354018 100.2470345 100.7264214 112.6562959 84.25771452 156.530065 126.3816864 137.1407196 150.22483 78.93349523 104.9168976 144.5307311 265.5007533 161.3811559 143.5343724 128.6964234 151.0605663 136.6752492 111.6740865 197.4658788 94.21869199 205.741034 63.26106876 198.5620002 83.97596038 92.90394602 232.4179199 131.7891665 133.1387742 122.3962985 111.7636339 167.8206562 147.9625168 97.19267908 161.4012058 124.7518275 97.20042752 148.1200197 158.4861295 113.6228845 104.0840943 111.7221459 196.8989289 74.6755395 71.00531029 116.6778959 319.8436028 95.42073242 98.16052756 113.7577428 183.5898808 97.23916328 79.68148704 111.4323876 127.4456481 89.39550519 175.1835019 182.9978453 177.5763606 112.5202553 113.1391238 33.18228239 159.5719121 168.9025977 123.2404269 150.0085755 183.968079 96.26774393 100.3525914 148.5502052 157.3035656 159.4297039 85.71982916 109.5668439 94.07719406 173.2064952 154.34964 154.8734489 113.53194 97.9782001 147.7332776 140.627924 Glutamylaspartic acid 238.0812786 259.7744224 199.1865471 246.3322416 275.7928835 368.5433398 211.9791949 336.7448976 289.4991875 315.4598577 343.0269753 251.2845682 298.2314972 292.7389458 245.7516122 329.1532286 351.3387388 203.3331044 373.1934836 420.5776416 302.8849459 402.7113846 365.5984573 522.136397 212.5349374 440.1173919 272.0317226 288.9346317 480.2360738 359.9847121 327.8171862 345.8942975 273.0594188 376.4502089 371.899253 303.616652 337.5597887 255.401248 278.4087038 272.492591 303.07944 231.6681925 327.0445175 176.594281 370.4020767 265.8489174 195.0432956 282.350027 465.4627834 408.2556855 301.5191965 250.3768537 435.0973583 273.2577346 171.9047833 211.2437029 336.4811867 281.04752 328.3216617 388.3751521 225.0478711 272.8568318 329.5412627 164.1447366 307.6081096 321.2347142 340.2185445 257.7951506 511.469838 308.7086557 279.2901015 427.3080534 270.9146471 455.0097165 256.3850279 356.0439599 256.4404334 387.6178045 447.6120876 277.7917761 256.5868058 213.7326133 314.0604562 352.018882 Glutamylphenylalanine 488.6251416 481.6007812 463.3345365 399.7283609 552.5836129 596.1312786 549.6705505 492.0156874 565.708922 610.2317235 589.8051962 499.3628473 475.405374 433.0885049 637.1438465 428.1316047 488.3287071 507.8997382 423.6983215 471.1977573 568.3307608 607.768092 438.205188 578.368075 436.4234192 484.3606874 551.5408918 637.9776952 466.3115078 669.372001 509.5835083 445.4168896 477.4369201 385.7471295 618.3628482 483.6381221 489.279413 434.1785515 398.1306201 498.971471 627.9052243 496.2013156 419.5074821 458.2453719 511.9158164 517.949706 467.6587904 776.0567394 514.9102883 749.6853038 466.2445123 405.2681427 524.1086574 470.0449005 357.9795856 432.8446746 460.6880823 467.7239262 623.9360548 552.0152662 367.4248711 569.7630479 389.4330674 184.3603227 564.6184206 393.3729212 569.4358559 505.7334357 619.6228943 598.1928028 469.6551796 493.8995361 706.3931014 359.9003064 679.8757018 454.8662737 476.7813686 665.3709468 551.7596126 653.0647224 656.294883 530.1594055 492.2984508 995.0350919 Glycerophosphocholine 1614.690164 2333.667284 2683.755082 2057.031629 4099.295467 2103.509664 1152.222499 2781.616829 1101.791091 2238.624319 3168.114098 1050.955943 1702.315872 1839.837225 1236.460436 2155.714084 2248.785666 2089.533485 1926.329263 1885.577829 979.6195663 3905.774418 3666.97139 1557.390709 2302.157662 2465.473063 1227.17354 736.6906447 2154.578117 2689.239338 1815.568281 2105.82524 1328.233154 1821.605745 4371.874116 1123.013196 1543.245713 891.0415218 4391.89226 3319.299898 3706.075962 3553.91304 2907.347201 6171.195121 1682.783229 2570.568244 1779.208266 1187.891552 1293.539288 1985.840562 1143.268149 3432.430995 1255.222791 3484.687411 3257.2398 4341.64746 940.5974768 1166.324865 2642.888816 2874.853495 3055.883274 2327.703297 2681.215316 237.2249551 2942.247221 952.8898527 1158.400141 1510.842077 1333.678475 1357.433435 1428.899605 1627.266615 3240.959582 1633.699108 985.1180223 2503.822437 573.4151941 1951.622603 847.0726574 801.4801033 886.7545935 1358.051566 2562.007089 1665.081508 Guanidinobutyric acid 127.5536803 4.439201031 6.814524195 68.02806967 10.29612611 12.35409117 11.82217167 9.91385773 4.562172789 4.940420168 11.72520101 10.9057841 10.10243234 7.140155823 11.87220953 11.82826876 11.90941616 7.27528971 17.79518223 11.62322952 4.301634143 6.208936497 21.08476106 13.41742334 7.951491416 7.283599426 16.22966628 16.01322215 16.07654683 18.60892183 4.336374631 208.0953359 3.205628618 40.51294014 4.50997356 22.61253469 15.42568982 49.97521001 62.43214355 7.917938126 8.93657978 8.447760634 12.46444094 15.94837996 23.51853571 11.77321288 7.043166965 18.24130409 82.76236368 42.23720474 27.26290334 57.34797279 72.87019122 14.59694827 5.302401611 9.06163895 14.58088395 72.37462494 88.45982627 8.957404776 29.80130133 43.54588005 26.11659653 8.475487943 7.103438404 5.540879203 5.39115871 12.47361095 70.13519127 87.35879021 18.73386293 216.67638 19.49460592 176.793806 236.9993668 40.10255944 28.72879138 87.95465483 22.84838648 26.00064744 11.44524215 17.66352032 15.15824575 40.29139548 Hexadecenoic acid (metab) 1516.745987 1526.040605 1808.061798 1790.892232 2074.613961 1319.917176 1658.595038 1579.826483 1779.236014 2349.256519 2117.410835 1782.812062 1738.234343 1691.828143 1298.269588 1325.808985 2033.476806 1730.964414 1810.372249 2284.229357 2280.311118 2252.619903 1418.211474 2461.406838 1682.723358 2397.38714 1970.563773 1955.475125 1268.980384 1563.708059 2893.427361 2152.574656 3641.542342 1489.960465 1307.351006 1903.638786 1733.591743 1740.324103 1493.950779 2241.320582 1096.287177 2674.168999 2234.750161 1213.180124 1442.618395 2910.160303 3048.786014 2724.075048 3110.960451 3125.391691 2776.62878 2872.531119 2952.603531 3062.882748 2887.497579 2735.957756 2914.106355 2380.402129 1215.803908 3296.546379 3002.610463 2970.836749 2795.465918 1621.49768 3189.609668 2896.077957 2495.087831 2387.796823 3004.556576 2794.034772 2862.013814 3028.986742 2774.729447 2850.815847 2364.967878 3068.247797 2562.480918 3074.217049 2616.883277 2191.145017 2532.476809 2991.036526 3564.943299 3146.040791 Hydrocortisone 1325.547834 826.4022155 643.4634856 1121.719003 681.7632174 1005.370664 876.0870726 888.4880829 869.7575255 668.6990877 730.8017502 830.8680639 1049.1672 735.6397641 1046.139979 882.201684 742.1662365 842.4341274 1106.29968 1293.0131 866.1830522 1012.877321 672.6736478 1026.994929 888.0112246 863.2028934 1268.922123 1404.818718 962.7467893 969.1577936 760.8077965 1708.215959 940.1455241 933.698166 854.6937361 1153.324922 1272.888329 1151.531704 981.9055439 708.7855062 520.552562 497.2219389 798.7058791 527.0028199 927.2128465 1203.66426 918.9654315 988.5723583 1136.938418 1345.017652 1036.550649 831.4016524 1113.585049 849.6103221 615.1270493 687.3464483 1564.148494 946.3995781 1072.992824 727.3704066 987.0735121 1014.551352 910.8168835 664.8652289 711.8453189 1190.816696 906.643085 1109.532331 1355.332184 1171.754623 1020.442105 2057.305261 1560.184042 1347.843086 2121.88967 939.5085448 794.3061364 1216.0138 1258.359035 994.4602444 1009.58656 997.9397354 804.3328564 1277.533752 Hydroxycinnamic acid 11389.59791 11727.02072 12920.51809 8490.368636 14771.11949 14424.51767 12127.51705 15949.12494 12294.42123 16275.38787 15407.58848 16563.71069 12443.96968 14031.57795 15064.33232 13377.59918 11962.05446 10274.28031 11644.1738 16907.9049 15303.05326 21344.53254 14294.69921 15843.85122 14475.65858 17444.77275 11245.19679 15207.08142 19322.27437 15542.06652 12584.55058 11081.18868 8929.455627 18502.27743 17201.02841 14946.96674 17742.57579 15925.83379 10732.19073 12329.36537 18461.77893 13816.1633 12590.04282 14594.41525 15889.58979 11830.61365 10644.99107 13727.59836 13091.59719 10421.57227 8593.014773 10873.41524 13975.4828 11389.78015 7944.204074 14046.70124 12681.92483 9871.289855 11628.55346 15224.26351 8680.233849 11237.96681 9076.784834 2919.888382 18741.61029 11763.63133 13104.64898 14555.68636 15998.92494 12466.01756 10762.21246 11301.71901 27557.10886 11946.32347 10881.0164 11497.47509 10593.54281 13006.81707 19158.67226 12464.00834 12673.22614 12489.25151 12469.74324 21314.70347 Hypoxanthine 15112.04769 5466.86836 2945.425016 5723.339934 4558.117998 9186.594184 7353.490237 7077.299006 10521.60074 6021.771739 5757.86305 6598.732882 6741.268085 4940.414998 12176.45723 4709.069328 6082.985475 5388.788978 6111.8279 8998.24491 6691.409867 12571.94086 3848.819103 10774.14739 4133.751934 13450.71302 10960.01576 11203.9576 15082.80899 6768.983785 4535.036137 6866.062739 8102.423827 11809.8821 5121.898567 8543.871245 13657.57405 11777.84827 3912.902724 5053.684425 5031.195103 2493.914118 3898.717892 2833.545707 9558.48169 6474.559667 5031.719015 5573.258705 13155.37128 7477.93572 5245.377746 4193.538344 14174.75066 3872.794244 2284.119657 3567.43194 13052.86567 5600.188577 13632.33686 7374.4695 6032.578096 5776.932548 4605.857596 843.2167007 7221.724227 10254.27466 5846.352181 12677.41981 9505.219773 8047.842383 7998.340421 10444.53465 14198.77707 8751.830184 8742.37694 3290.820921 4768.022393 8558.320587 13928.31445 20657.9753 6063.046158 7282.784806 9906.489432 10562.18805 Imidazolepropionic acid 1014.399662 1548.172116 1185.957844 1135.46507 1686.656603 1885.606588 1151.747027 1698.741375 1266.730172 1869.987506 1890.141789 1539.556872 1092.310687 1608.027219 1547.903709 1771.327819 1923.110277 1407.68064 1355.188433 1779.212021 1452.880616 1829.584048 2388.207533 1805.827798 1381.290402 1884.030144 1317.145956 1408.012417 2233.311818 1663.705539 1623.380086 1674.496791 1171.930629 1762.252325 2283.022441 1542.3891 1449.253814 1505.422913 1605.122505 1400.675181 2437.997011 2088.717401 1375.322181 2199.612545 2091.4886 1758.795247 1157.925631 1521.852203 1194.513442 1421.903769 1282.538317 1538.034724 1625.078848 1758.382499 1112.608846 1578.342384 1277.35912 1084.204712 1661.183906 2610.479161 1168.786953 1366.011806 1492.648937 428.8532412 1961.29327 1043.18371 1451.702932 1212.53661 2075.254676 1612.337278 1104.46086 2170.73859 1750.843908 1291.371835 1078.821552 1492.014169 975.5955227 1908.174139 1411.882512 1078.708721 1173.566009 1103.858765 1667.917344 1671.399979 Isoleucine 26303.30452 19632.48762 24214.4433 26664.55529 28791.74873 28544.03041 23070.75514 24491.97342 25821.23022 36299.15805 27707.05485 26373.88451 16848.79631 23590.07339 11145.65995 19849.83403 18657.12685 23740.16032 18072.19489 18019.96187 27544.40689 15467.53945 32901.84717 22314.29265 30490.65017 31765.93145 25710.17665 22236.9839 17552.19817 17332.94017 25697.09652 10386.31437 11811.3975 28120.55718 30465.64155 50616.23598 25609.5424 34918.71213 23245.11847 28746.79579 18584.96215 20909.61101 19738.95062 23996.25372 31182.73722 22606.64183 27944.8449 21381.46764 22085.75232 21803.1117 16982.58797 17360.0016 26096.28276 27749.55483 17182.43509 20917.9195 20948.26393 16977.04346 22440.9582 25337.25007 20289.54506 18701.76056 23051.36687 2254.575195 28719.10479 24623.54202 28864.72391 26308.92863 29657.46058 30211.49213 25811.99003 26885.7764 38597.37243 10795.04884 31254.86156 20944.82688 19626.41411 30588.28888 33336.76804 32308.13041 36361.99828 27931.70552 27654.64708 35238.115 ISORHAMNETINE-3-RUTINOSIDE 70.45947041 19.30773399 48.32086399 50.50360934 24.8594394 19.26014959 38.26428242 18.41632903 25.01408181 31.77946401 28.29747152 36.39240154 30.13184558 27.92366072 25.76124512 27.73750652 21.82028563 46.60560413 89.29456944 26.72998776 37.84131916 35.12720707 22.0887875 23.47333202 31.98478003 12.70620172 40.76594352 21.54253584 22.63002223 47.65628339 38.87145315 129.0622427 18.19403024 83.85243875 26.37537774 44.17818235 37.68337691 2699.0393 57.84325614 14.22223902 19.35007489 27.93398268 29.10986931 20.78354998 25.3376779 17.59877759 21.32796498 16.40317298 109.0839326 40.26875277 32.79971228 64.99873326 33.25818993 26.12808076 27.32089157 24.96748447 30.5443629 249.5742031 42.61546499 18.09181536 17.30228769 20.68824008 28.69751308 37.08968903 32.38534466 19.7906478 27.83812381 19.14317557 171.1594255 91.0166634 275.1522129 195.5800093 19.00333569 721.9860316 152.1440202 44.67542629 49.15094377 54.34285484 25.8894546 55.07033902 24.1423817 44.06160514 17.68477682 34.49833565 Kaempferol 3-O-rhamnopyranosyl(1-2)-galactopyranoside-7-O-glucopyranoside 2380.918049 106.5306866 43.81278175 541.9572356 440.7529885 84.72956444 69.14169518 59.86330322 54.20777157 141.4263933 62.21065117 55.86295692 54.09715115 53.78962096 145.7948917 43.60218206 203.211831 712.8640063 1085.522956 113.9206485 43.27281523 37.58533905 55.14123228 38.33746473 46.46294979 25.62993813 96.43542764 483.1431694 106.9826214 423.7862358 54.65420443 640.0982668 58.51237986 51.27801068 46.01657591 98.7867961 203.1388961 171.6916099 653.4593413 38.01607739 32.6467607 76.80075225 65.10660866 35.90663606 47.63323707 52.66132482 49.6202917 77.08347861 64.88707138 53.82436413 87.20292808 87.01399778 619.9878104 40.58114441 50.5698589 70.67591913 71.18258783 8583.949702 52.26624743 62.25296498 66.12948203 68.82236533 116.4555819 48.93494732 89.70607188 42.75262318 40.37114706 74.0211326 71.42958799 203.6763619 126.2811369 1973.272183 51.62348602 3367.776507 898.8781615 159.5119876 137.067611 236.8473659 62.41510085 59.51294321 57.49060072 86.172071 86.34110967 235.9058704 Kaempferol-3-Glucoside-3''-Rhamnoside 399.5166518 49.0542267 92.33948824 156.8432024 128.0634182 69.28441412 80.5496867 73.01917282 81.0769757 62.7030305 63.55589223 72.03908953 98.53098985 49.98811534 75.29773937 65.68611179 71.68098726 143.6028443 385.2981298 85.14061467 99.06774375 60.66696433 66.16081267 69.48787841 80.38302388 33.63788444 72.28809406 113.7934175 52.46335491 123.60658 67.28277495 206.6894415 62.64085744 70.32750296 60.30898687 126.1274106 117.0468564 1267.733221 150.8005403 69.43759928 46.0537378 71.11292595 88.22026145 63.6206358 46.01460595 63.53337943 73.41118647 62.24317608 938.7423277 326.4760707 112.5677137 65.91682789 92.99538846 63.99036277 70.99141369 68.92914692 76.93007949 806.2839846 97.83163705 53.92991644 218.3269635 69.6494058 53.18367353 89.5810312 73.20183758 73.08293616 77.16829507 112.3482037 340.2735841 105.5404422 256.3472794 241.7229633 74.6625229 568.1089933 203.9685351 114.1001324 121.4622613 164.6535204 148.3761174 141.761855 99.81272615 95.59927753 59.40259146 79.67217186 Kestose 5352.530122 1165.937572 1041.679203 1299.127473 1235.882534 2377.69714 679.8104483 1211.742432 3040.21856 1170.952556 1126.023469 694.9125301 1703.119968 873.1713373 4466.079813 953.3829746 2646.065833 1143.682923 2390.866583 2268.681595 2321.329618 3102.514476 2110.71035 5761.352153 1106.63637 8858.291496 8325.265939 4023.089193 10877.828 2255.476408 1673.872828 7280.979635 1059.48883 5799.585751 1205.144653 2655.648068 7352.49292 3866.372046 1829.970471 1392.664752 4608.589497 5901.332172 2952.742 20054.91435 7155.972023 3637.424747 1851.589512 1466.334721 5488.476694 1825.844866 3968.716602 11995.96406 8127.868628 1182.700228 2214.13238 4834.397927 8905.00434 2036.090876 11333.27712 1181.549927 4639.72815 2173.86009 3679.80384 358.5388981 1804.508452 4760.864084 1276.5603 3680.928326 2978.926916 3226.107793 9135.785459 6587.014674 7863.04344 6081.369941 9159.112117 1031.399008 1705.811747 2333.039136 10849.5322 6867.473749 2185.43561 2557.833705 12496.94721 4346.769043 Lactitol 133.2271655 569.2914192 970.7174406 845.2392841 1079.172728 375.3257717 462.9711179 486.7393471 316.6567467 576.9402235 830.2932195 853.5054809 395.6738222 395.2309894 670.1059337 766.5938444 667.7467081 920.2724101 353.9485622 502.7478271 480.8613376 802.4722544 1505.185824 481.1050913 689.3956959 436.2070682 814.0194824 333.5108884 208.8765087 490.8573739 956.9710469 331.269774 242.930222 854.607064 1096.26719 592.6174672 389.6463285 403.5585699 938.6105295 770.7991568 1320.744501 1077.495707 833.9092883 1129.788229 505.3380493 680.7614403 487.3950926 432.1650844 315.567494 355.1285393 445.9541277 528.8901522 184.7490684 948.4765695 830.4331553 1009.934035 316.4073575 503.1799177 485.5025471 1595.248232 618.2248425 637.9924953 812.9369186 50.84108635 785.4905774 195.6099309 606.8892611 720.2330067 317.8582072 593.2630256 312.1045952 814.4465633 297.2199854 580.1631242 389.367087 1013.979374 224.4840181 637.3013156 209.5850526 247.4011322 213.0585655 578.2213917 877.4968027 682.9173951 LPC 18:1 35000.57268 25136.92553 12728.11853 24865.57463 21806.29922 14014.8466 15691.49461 19549.68552 13250.91884 23932.57101 21616.23871 37990.53157 11704.52396 23144.47185 19075.25137 22500.50704 12644.24349 27665.19947 17904.98811 16832.2324 17179.00944 39994.56407 14850.21344 18437.73185 21744.92299 31513.27242 29082.09338 24328.3559 31518.81919 22668.65788 34352.70328 26142.7872 24609.19344 13400.76917 26043.19986 25375.39903 20498.23413 15687.08523 15638.90891 26545.25268 18491.35877 11087.6303 16034.61549 13319.43751 19457.14126 25238.12927 35759.11761 52730.66351 36517.25909 30028.85802 49581.51455 35113.18631 22561.48668 18026.88583 15895.33137 25716.3136 20339.10613 29436.29394 26762.12743 40035.04321 22563.48004 23667.0406 32440.09375 7760.619911 32441.69487 17328.91122 33252.58476 22654.13173 20619.72758 24527.78337 20956.6182 33175.97255 33493.52709 22996.24606 24196.32979 24865.91329 22731.3006 39317.14193 44504.88448 36293.13546 110283.4603 43207.36181 44820.52542 63622.13512 Lysine 17893.78813 23322.57562 21328.95125 19048.62734 26450.28641 26016.02683 27777.64267 26396.67842 15638.72997 27135.95931 25431.59603 26495.79277 24179.87908 28203.54472 20957.29099 27846.79991 22596.66816 17054.49355 22656.20525 25289.51859 26727.57663 26012.15713 29485.60741 22719.53393 28015.87061 27982.3608 25488.93236 24862.04107 27003.1536 24532.36575 22735.56149 14942.61058 17228.70597 19388.04957 31917.80061 34869.59912 24521.78069 21542.19753 29733.66411 24960.14749 31247.13067 31125.77174 21076.15631 36870.80583 22451.73073 29720.58946 23117.2933 24557.8384 16575.45463 19947.50677 23315.41023 12082.70755 19674.40961 25518.74424 27050.10724 30765.09662 24321.77059 24308.71284 30669.24897 34945.73496 27300.93022 24346.75913 20933.5195 2563.519572 27201.61737 15327.97649 27079.06258 29468.77159 24382.45193 19783.64919 27636.97119 21507.71771 31096.46766 16954.35078 26273.81855 20480.07513 18670.25961 23227.9156 19675.34317 23693.38403 27440.24533 19732.75349 25521.48204 25629.67399 Lysylthreonine 120.0461295 86.08603124 77.38631207 140.3818685 95.31413121 117.6356471 62.41739181 185.0061695 162.0847747 184.5136144 186.4144312 91.22852703 88.00772463 149.9133449 409.930718 216.1920871 117.6756061 141.6216275 156.1200732 105.0036262 68.08816277 152.2470654 96.66556154 128.5782883 97.03713118 170.1215871 49.84819038 78.43580231 221.3196642 124.1395729 55.93619997 131.8765849 84.69204213 229.7656165 246.516992 159.45073 140.3336121 187.8598399 102.7990035 197.5928154 99.2925693 37.70189514 113.6696767 73.11107263 140.7869985 135.0227488 87.74216938 127.8311282 394.932878 123.9143604 86.88684521 156.6441049 159.858839 71.42219719 33.62018791 83.61997332 165.5089902 99.20159434 145.4642978 83.34596752 256.6083807 106.0560955 164.6795757 36.36299557 135.6107136 95.99328316 105.3958807 94.3334847 172.2554663 81.8394611 132.4695252 149.830828 173.2168305 167.4395763 118.245232 87.60286959 76.74008972 120.4296273 183.1514922 118.8029302 82.30504125 100.6671351 100.2582048 118.1406157 Melibiose 16177.21631 6656.672941 8806.225133 8036.409271 10209.18653 7248.897147 5438.540911 6584.677905 7874.353454 7435.803383 7626.009241 7347.783311 6210.589106 5865.307439 19667.57529 7547.284979 7030.88741 9229.358052 9381.126643 6778.348402 6518.797943 8601.997683 12089.68198 9574.151687 7102.09072 11407.78727 15217.69826 9300.472876 15592.12883 7464.064955 7900.133833 18664.11666 3641.470105 9857.689027 8421.588926 6601.193243 9678.391105 7279.974285 10114.54398 9490.757104 16056.41042 11323.02338 8457.570675 22057.93024 10949.08801 18622.84821 7921.573267 8794.752468 9095.053583 7896.02986 9485.901491 15780.54525 10177.01912 8475.33837 9617.351575 23240.21105 15838.14988 8837.760265 39411.828 12141.47107 30200.71401 7588.981359 21673.14594 1634.120603 7566.006369 8886.985418 8206.194171 10413.46891 6922.701268 15248.14509 10005.23949 19130.8656 10542.79454 15362.93639 41230.24657 8580.227636 9057.40652 11816.14052 13875.04776 7730.668093 7611.143368 7609.550151 48432.97911 13835.72373 Methionine 3552.783191 6773.20088 7360.812834 8046.923533 7421.726085 6100.30468 4625.432318 5679.387395 6111.390241 8794.26086 7008.702244 9552.708391 5064.173527 6832.324365 3802.169616 7434.189845 3809.346824 6742.865191 3506.521642 5043.88284 5324.878095 7088.129352 6757.352087 4534.76427 9201.251752 5418.234761 5428.661728 4815.628456 2789.776998 3913.107783 6719.033517 2817.74001 4092.54916 4290.14805 6969.994526 10259.11513 2479.799207 5765.464619 4168.640128 5865.985956 8287.464409 6828.560068 5005.32831 5999.83083 4624.420681 7272.679296 7357.587734 8026.062151 4283.691627 6266.199174 4594.386023 5490.239015 2664.611995 5750.801783 4077.539328 7481.280215 3974.988612 6639.906114 3695.085441 6109.965281 4156.751999 3652.717994 5315.153413 543.6371163 8010.574939 1838.601808 6334.254831 6037.730675 4039.194957 5542.825926 4526.150828 4666.70891 4604.516898 2911.228386 4523.172895 6510.911426 3629.979944 6776.205198 4330.713343 5130.339942 4661.677867 6093.896597 5713.716723 9804.454836 Methylxanthine 258.2469477 375.8989274 212.9317718 199.8415405 519.5604506 427.3177719 272.6509983 340.7716947 222.0828488 623.7251981 484.7150639 596.287305 264.1130447 417.4636876 254.1839155 380.2992709 437.4797609 348.05982 242.838366 480.8631281 302.888023 448.1771393 346.4358892 373.392522 324.4794022 376.2794753 335.2766871 417.185637 318.2882634 468.0072351 275.3222642 488.5685553 284.5264301 328.5445975 447.9290059 314.9378143 331.5094041 456.8751187 416.0429716 585.7314519 536.9869498 563.2029359 302.8959158 390.4997328 729.8325672 333.1703099 294.0006805 230.497864 324.4483996 265.8832079 299.4368625 242.5558487 296.2206882 249.9452271 337.0281642 528.3346639 221.8277455 262.5819485 206.731688 852.3951813 337.479513 424.9250036 422.9198357 124.1645084 419.6929889 223.7759324 449.1014571 322.230957 592.0998008 420.0565153 463.8122233 257.9987991 457.9737651 417.3538172 202.3576923 249.6781106 171.1820428 399.378188 205.9110526 270.1315239 269.552645 347.0110671 378.1694043 337.0282061 myo-Inositol 16330.53578 13834.63393 14211.11363 13636.65167 17929.72182 16641.62986 11110.21996 15068.64239 11966.38365 13520.21507 15712.94604 12160.18102 12041.73285 13832.7353 15290.25136 15101.45558 13389.68599 13431.34391 23643.45765 14982.66452 10991.77495 15807.72631 17982.58991 17122.90912 11994.92354 13640.84211 16195.46118 13787.50911 13470.74295 13770.4805 12753.36111 25470.6312 12333.19547 10024.02713 16104.89516 10152.73843 6889.434362 8053.953101 18478.39707 17285.20906 23476.44199 16155.90079 16626.15597 15560.48235 14050.38974 32761.1824 17897.78961 20511.90337 11463.66353 19508.53441 16590.2767 19259.37385 13932.67542 18481.78759 17917.89204 26899.6757 19706.78176 15292.95384 35125.21298 19225.99409 42568.57401 17172.73524 32180.48573 13847.16095 15372.95908 14939.65856 16501.43409 15002.55223 15196.40841 21650.93664 9186.566081 21869.95111 7455.659481 16678.43185 34542.47288 14774.4333 21338.50198 22781.19537 10976.87745 8818.518361 16309.51132 14374.88899 48692.08095 19162.17444 N-(1-Deoxy-1-fructosyl)proline 2251.17525 800.6428102 937.2256878 994.3559746 1015.328862 542.6147313 489.1443109 657.1946134 359.7914691 1161.816018 793.5471285 1020.25328 383.2366859 496.0729706 613.3290143 199.0208833 563.94344 710.6615256 1140.810329 614.4697557 580.6496173 695.5142199 353.5391985 563.2756854 226.396332 251.014673 943.2550665 705.5857372 780.8934915 1057.232481 1102.831425 2724.418779 291.8039224 4407.105357 243.9942113 252.8383161 482.3989248 3582.577805 715.4644288 201.659461 344.6238863 346.1608046 227.3787189 412.0319419 527.4915341 243.7052073 200.7206787 811.7637742 10941.32142 523.1714032 416.161022 555.8917113 7471.289412 488.123794 273.3088237 233.0504512 336.4238483 1044.331918 8064.447655 985.6619879 918.2205686 350.6655429 2173.248515 100.5779418 752.3500018 468.9121736 439.6349772 925.9644715 7396.196086 2258.272189 433.8114657 2912.690267 522.6582613 5482.998806 5199.040699 1766.969597 1246.258407 3498.817542 2392.565598 831.3483361 587.5140808 862.6274147 1228.807478 1828.710028 N,N,N-Trimethyllysine 1044.818034 408.3881428 250.5747163 279.7122266 297.2039101 939.1521358 296.3542984 449.2561795 746.1844878 493.7300282 479.8511728 334.3667282 552.5249431 485.1620675 740.9716837 229.0535871 650.9884371 286.8896206 594.4530477 789.4778927 643.0174705 913.9620995 406.0574142 1156.149179 342.052234 1014.406999 718.277429 792.7082023 1653.208355 620.3769535 414.4362887 679.9776809 475.6847848 796.8519932 435.9045625 592.4394623 1403.379101 1696.147975 295.5033438 326.3057943 464.9357338 352.0474997 380.448741 398.8103579 960.3863304 424.1117368 284.4627873 461.8122925 2799.501538 585.4865822 531.8709926 468.4968995 1269.721302 520.5990515 170.6511433 249.3877066 880.3638677 499.4061451 1026.075664 399.8511221 268.8853481 458.3803711 462.7525481 39.00168435 489.6184578 851.7903491 454.7506996 774.5798119 949.4273572 666.5559061 544.3466622 737.5668592 1456.452598 1330.442564 555.8492782 447.202514 501.1624108 1180.411664 1241.22972 841.577607 575.364271 509.3041938 562.0592852 579.6853766 N,N-Dimethylarginine 10769.77664 6395.617691 2354.636821 5035.07455 5818.230772 13237.06934 4400.542468 10143.49402 9502.589017 8728.741026 10536.12598 6691.047693 7372.879823 9523.790635 15434.36948 9817.71574 12489.68238 5981.983273 10514.13591 14974.27451 7492.68682 11455.66827 6760.294363 15562.08882 5609.629745 13135.12496 7569.628303 10112.5067 18998.94273 14432.23614 6215.657532 11925.95901 11845.24296 9379.813985 11007.62057 7021.385437 18232.53805 8241.455771 5716.83421 6893.525224 8996.948726 5058.184684 8156.414091 5600.709566 14904.36199 11550.22708 6108.065145 10485.69333 10540.47924 8769.005016 7351.158197 7778.528187 16796.93195 6076.258174 2790.740759 6354.856154 11915.50889 5921.303584 15222.11904 11636.93146 7546.105518 11036.74651 8818.615861 735.8730435 9403.951754 10585.58054 8453.184825 6089.473592 15749.69428 13461.98919 8048.655478 15022.3001 17931.76284 11126.36209 6400.956246 5842.119293 6598.372586 12249.18481 13025.76094 8416.280593 10295.38051 6180.629993 11330.11635 11474.36268 N6-Methyl-lysine 157.7352262 124.0819076 108.9185364 77.16430729 160.6158643 115.1968304 98.31276531 116.7087101 110.6058939 174.9670231 165.092575 183.9162997 114.7561796 134.443076 116.2263927 159.7928226 118.9325847 92.25599234 127.2315911 148.8622149 139.7011396 164.5748009 170.0601806 184.5150568 121.6059398 209.1720707 139.6917683 125.8614847 317.577473 147.8098517 95.2762942 266.4940235 198.999794 149.153141 117.2974824 141.3276585 224.1366028 128.2534824 123.948735 167.0286303 222.5452783 134.9343571 103.8774981 136.8229035 186.1970039 115.3241383 87.26843435 191.2178705 200.6751992 194.7146136 198.7630411 176.1835147 202.3239219 150.2610861 113.8257766 113.4335101 158.5042102 165.6339229 223.5586729 160.2416055 201.505781 141.2193393 114.8990604 30.52771743 142.2601669 117.9949604 154.0123512 215.7958999 245.5833705 185.8565199 109.506889 168.0100922 168.8570848 99.64072521 125.2895242 106.2990544 124.7320479 152.237563 176.3876586 128.3677162 106.7131005 138.7367823 147.3070686 184.4024309 N6-Succinyladenosine 1820.766065 380.7405356 225.4241519 538.1160743 181.8751499 663.0447959 340.0050788 359.9214707 888.4799532 266.3879084 284.2725202 357.4001175 582.8290237 349.985523 1180.765089 252.5826876 690.7203277 222.186707 723.6595999 971.4266282 630.5006231 697.1650486 232.1167083 1234.150728 264.4852647 1007.965051 1242.415173 1066.281274 1983.878752 662.2719661 342.5545417 1090.101246 428.9540425 1898.278058 264.5014248 727.0038707 1570.674641 2007.206851 431.6194723 319.5082916 315.2772343 246.8681747 316.7965771 202.9856898 1106.852969 269.2735356 303.0198285 347.6448675 6056.513999 1911.311 629.7438966 330.2723523 1724.457274 275.8769313 181.7467561 197.8732591 1213.063216 938.6820241 1517.477335 259.3079755 1666.745328 494.4001472 1015.853633 210.7239826 369.4990502 1132.982071 366.8622378 1178.576803 1896.664396 1506.418183 555.2710689 1801.325661 2365.902891 2331.029721 2536.642358 941.7167007 987.8174139 2930.313701 1915.19 1645.930771 833.5659028 677.4266362 593.1924864 939.737998 Ne,Ne dimethyllysine 288.5437056 97.37941186 95.92090084 91.70732755 207.6475005 179.9400326 86.79585761 121.8871394 226.7317807 136.0513675 131.26504 120.7825186 167.4205524 103.1577422 128.9212392 91.13218116 160.0644843 101.1498133 110.3371749 168.0119702 191.7767686 136.8527324 218.4361393 184.7059197 111.4740906 288.6858595 223.4953681 211.7771494 383.3227177 194.6318197 137.0503842 102.006913 147.7475078 216.5580133 115.7167828 236.8591285 434.9284369 236.0111428 74.7161926 131.8111161 99.03492202 98.66508352 101.4382195 64.1475616 190.8442438 149.8385698 103.2875557 121.5529533 291.927311 181.3701682 173.3632493 67.16010647 191.2674076 111.0882039 68.09622374 152.0588499 274.1396037 158.8945647 216.3847797 122.9553841 117.1445357 131.6236804 157.4720152 24.08409649 103.4036311 275.8661189 156.0696558 238.9171719 197.977599 182.3982225 170.9595091 192.0015834 309.4001444 274.263228 139.3668919 142.5162339 140.731435 155.6243564 361.8615862 233.4260132 171.8483794 192.851486 150.8272744 175.8478796 N-Fructosyl tyrosine 303.9636353 177.4167716 277.2758997 194.9645268 279.8254446 178.5692113 208.6033452 248.50651 212.0296801 300.6031551 244.8407274 395.2984091 201.4303972 224.1562506 325.3578033 90.96990559 170.8245329 157.8228583 274.7066673 182.1895488 372.6051845 280.6649354 157.3595527 352.1812745 121.1724191 158.708466 189.6238839 196.003761 162.4022378 418.2811427 338.3887758 217.3943004 103.320552 327.0550346 114.0368022 143.2721626 179.9378866 358.0480436 125.5244797 88.67351874 121.5102966 83.85112652 103.3291496 104.1320398 158.0240516 114.4680295 76.65992542 277.7467326 531.1347075 170.5677034 124.803045 106.6921574 352.1951752 82.64546871 64.09114646 86.79203774 134.095611 223.0613327 2041.864257 274.2227582 181.1873205 123.7245193 191.4150582 35.59782737 204.5863803 172.1773709 183.4805274 279.0809431 342.0220843 349.1986937 145.026189 330.2018013 250.5461588 506.7397362 338.4779251 147.0017011 352.1813823 324.58871 468.9787681 240.6536501 288.8757672 258.7635731 472.8899818 622.1554015 Nicotinic acid 484.4644085 99.11264184 124.2978736 132.7959469 85.11582533 123.9584341 155.2517508 106.6513481 259.4319631 118.3211483 83.15664251 100.1244887 190.2752062 139.6986575 717.3032339 92.82210809 134.6394816 98.89975195 155.2213912 219.4393115 218.3454996 182.402273 87.11089922 428.3333761 126.381421 322.2535336 432.5685101 364.3460597 328.2719606 185.4770931 147.9131197 159.45051 131.1737341 316.7899431 85.17827125 140.0766635 242.6403892 423.6503285 145.3889147 95.99081928 71.66891803 76.44191861 114.3389847 78.01296266 322.6306951 88.76911589 126.9095032 134.4053789 564.3396067 247.0909138 191.3576129 92.3240268 479.9649183 100.2145243 110.2864276 95.35149101 248.877086 255.5374571 305.9213611 57.50757898 223.7202657 204.3476192 191.3542238 135.2853896 106.9219599 468.41054 114.9636908 412.1793187 439.7521226 337.2674235 184.8839986 304.9768207 324.7661957 313.3504439 281.548495 115.7044109 417.1425164 460.0530961 900.279809 578.4166475 426.903269 252.5922843 226.4028824 286.3253077 N-Oleoyl tyrosine 2084.482936 2128.34457 1431.099027 2085.73879 2506.779686 1627.129735 1498.875798 1903.961643 1445.54769 2473.022416 2502.655151 2645.772006 1098.459859 1847.955224 1734.526727 2240.11543 1117.782037 2357.649259 1186.50457 1241.650255 1522.130825 2793.539229 1418.566612 1302.726202 2092.440857 2231.016318 1770.956126 2114.00263 1905.017418 1932.048444 2641.243977 2240.654056 1733.660445 1269.780007 2081.727217 2195.046457 1627.469475 1322.43914 1352.505386 2193.256189 1711.963048 1131.530021 2095.836646 1491.178787 1663.135415 1969.134884 2542.715407 3001.65432 2291.332764 2439.589988 2478.005679 2669.620085 1491.158054 1307.205735 1386.817068 1706.085469 1390.546436 1820.986794 1337.717005 2481.877704 2202.186298 1710.389128 2438.185546 922.9329044 1812.271647 1186.34091 2561.573284 1508.496484 1487.048012 1842.714597 1559.853268 2135.803132 1692.351504 1506.984658 1533.891348 1820.920838 1864.347037 2736.784094 2453.97239 2010.456213 4185.953647 2753.982446 2611.698898 3303.897744 Octylamine 60548.32951 41038.39016 24506.00718 26315.55354 27721.67097 19045.92899 54099.31972 56797.69421 18056.62875 34281.18994 37125.04622 27130.77185 21377.29999 20893.26672 36634.38417 32515.64635 20276.20492 19013.30221 29800.99257 30139.68278 20894.3105 29440.59627 20348.63474 35371.92717 1270.959437 25557.75509 25311.40732 41408.34573 35164.88767 22107.58055 30019.73915 32446.01717 24458.38606 32937.74487 34438.54433 1250.820164 18249.1519 22585.30343 1565.110174 25660.23845 25232.49901 27921.84592 28597.94132 10254.14517 36469.38599 1402.053214 1440.275227 31882.94708 40724.04837 43801.69527 27521.67691 36782.46089 22430.82933 29287.49178 36307.92503 27509.97497 28166.95907 35007.06174 43723.78375 25678.99974 42130.67024 26841.64529 30515.45559 1009.670895 1551.831661 26442.89783 35256.61977 4210.367905 19261.96396 1243.779482 12251.19835 24872.77907 24593.53229 32586.45464 42161.61625 24962.63394 35626.38071 29337.998 46585.2524 37607.62513 43328.75883 30887.48974 23831.53001 18163.40769 Peltatoside 211.1289543 77.07105867 109.6771248 139.7016609 90.89145217 81.03114594 105.5447521 115.600915 156.2818184 128.6025051 136.8926323 107.4004101 138.3134986 103.1054665 101.9985659 131.6081752 154.1930295 110.7551297 91.91751847 124.5246115 136.3283741 106.6951995 113.423483 99.27864439 118.3512216 76.32422289 162.5273865 123.2163367 124.1326658 112.5130716 88.77493891 159.1934791 106.5217456 93.63798829 106.5943886 114.6440682 107.1818002 217.9069683 137.9000824 129.3198051 114.8979495 124.6645173 84.27859051 100.0295673 143.3162671 118.7398166 98.80912424 109.1806505 131.9873871 102.9964272 94.93291972 90.12252179 181.5437372 158.5968624 128.657976 88.7560812 126.6595896 1029.640905 109.33147 120.3649729 83.57032737 99.8588554 139.798401 117.0492482 105.1954833 106.1614768 107.120507 87.94304515 4877.279571 1941.221879 151.1431684 106.6271733 108.7946437 203.7388449 927.2196655 129.9655105 142.6771155 336.5467664 128.8633355 228.0717434 123.5493775 274.7585428 149.1236157 330.5078551 Phosphoarginine 200.055022 592.0384527 1617.908907 478.7586255 1267.163589 637.2785569 535.5049558 724.7903498 347.9762299 636.0393197 856.6873728 1060.764009 500.7203026 957.1180195 340.5237971 1358.170295 619.6812231 945.8703028 413.5578377 566.0915613 399.5811868 758.3971978 3913.927085 268.9858294 1231.636952 368.732267 390.7139012 240.6008269 477.5199826 614.9409983 839.3385915 218.5664813 245.7240768 879.8423498 2047.507007 984.2862223 348.7574635 364.27966 1450.474224 805.1613179 2367.268031 1091.648118 732.3038837 2850.510998 297.6252527 1041.527542 307.3196507 243.3216994 108.8966115 273.9539712 298.4636876 454.7053385 250.0210365 905.9150935 973.9670321 1293.598218 349.6082606 398.5237883 567.4205744 3063.20752 268.8134449 317.9721134 371.0992896 224.8866467 578.5450694 233.4927871 485.4656737 476.0128685 327.4402943 367.5199089 286.7101986 318.7932674 468.0762197 292.1078937 175.8500186 767.9370406 165.5525159 343.9938241 149.8289252 191.2986913 162.3327927 269.9842056 322.7891788 258.7290289 Phosphohexose 211.4898402 393.7381547 331.3507346 303.070479 543.9217313 558.6388202 302.3540905 431.7437841 323.1236982 436.9036586 513.1267836 402.7105937 347.5961703 496.2415574 503.4560625 385.1415745 500.6474829 414.1253016 404.9329073 429.912748 390.1154747 626.0370725 594.6991814 464.9526987 367.9325008 626.5524035 456.9364709 468.9625956 386.7188854 472.1224888 488.5878449 478.7130086 381.8022886 423.1873224 503.4028802 332.6006317 258.9303334 297.7464736 504.2154472 529.450545 670.5827667 477.5326467 368.6501333 382.3017398 551.1497297 593.3265344 383.4111885 629.0506183 468.5828605 542.301693 491.3296396 338.9374311 491.7562565 523.1081676 426.4088121 476.2698561 398.6684291 464.9089321 617.6446165 757.7488231 402.6523441 466.1581739 519.599525 204.6354926 487.0555556 293.4513386 565.5977162 487.2292015 651.9568737 643.4901804 362.6349368 671.6597743 387.7884037 419.3410407 604.1144443 498.4337477 324.7904953 817.0636298 528.3390115 333.1961012 322.2753972 356.5054237 641.803384 675.7783694 PHOSPHORYLCHOLINE 1671.334977 1386.574505 2711.790888 2187.116906 2132.662669 1208.323287 1862.216781 2024.926761 1717.950039 1794.974244 5119.743185 2286.520097 1197.073704 1077.108717 919.1396251 4343.605234 3469.339425 4731.051217 1143.552165 1007.704357 1662.386771 3710.185802 3755.53462 1483.922429 1908.435785 3959.260876 2381.434161 1891.229004 2182.374919 1730.549809 4282.072657 918.5816319 789.7650736 1951.338215 5612.545218 3316.484629 3007.590176 1068.475026 1943.730491 8018.578493 4338.971132 2193.3159 2371.611967 4168.624359 1483.431713 1205.317456 1332.628778 842.8946112 601.622198 1638.819316 2500.0441 2010.036748 1816.641362 2142.303283 3173.313323 4816.253395 1320.281127 2979.068151 4117.652415 5711.235543 3385.879511 2391.683778 1555.493317 169.0230427 2202.799371 992.88196 1293.115264 1134.555276 1008.76482 2280.538194 838.442127 1734.688061 1954.255708 1283.664524 998.0183062 4738.19394 519.1717405 1651.122337 1214.401412 789.0469844 659.0593251 1852.772212 3580.587958 1982.915277 Pipecolic acid 13144.11093 18748.60099 15582.96557 14697.57805 21331.45447 21403.63812 20362.25096 21440.9497 12803.97992 21428.9224 20445.14353 21266.62745 18320.3229 22566.04171 17266.89225 22527.72588 18234.4018 14456.8349 18262.06947 20479.97811 19909.39077 21548.18128 23796.60485 19072.98064 21289.38674 22966.44472 19345.84601 18917.08748 22066.18393 19722.82832 18679.6852 12396.0594 13747.40276 15848.40816 26252.4623 25969.9811 19102.52401 15942.39814 24023.64548 19931.54514 26238.54854 25762.15181 16597.28944 30319.89665 18400.97354 24128.3889 17956.974 20296.55981 13269.90684 15794.60886 18201.57671 10635.14465 16554.62404 20737.17985 20723.78695 23834.66317 19136.02906 18121.19073 25190.92181 28671.29598 21803.51841 19477.12116 16996.91352 1862.231498 22633.03846 12074.61829 21137.36749 22437.03487 20203.55462 16324.1664 21297.64908 18145.78943 25834.15606 14035.09426 19536.24842 16355.32191 13375.04181 19323.87699 15283.92794 17340.81959 20354.75038 15700.05524 20714.16159 20647.15457 Proline 24965.14172 40249.21894 63506.56775 38704.93229 42762.61093 27948.6321 31575.89029 31338.14487 28128.63565 40402.12562 44175.31879 35634.42545 36061.81121 24341.83729 7870.603663 44297.55505 35421.87966 38168.71134 23525.65144 30422.22745 35773.00034 46551.99376 67976.84632 26608.48985 65104.51112 33817.1134 40873.5423 30668.37292 23032.87786 30301.20025 42774.33124 25530.49228 18289.51416 28230.11601 37503.86291 39352.77069 14362.42122 42171.25188 39735.62638 53403.2354 91201.79632 81347.04082 27893.837 59493.61929 50521.97935 26608.14912 24866.8144 22044.48319 20683.31667 35715.68855 35919.54221 31253.95036 15773.90151 43570.18996 63555.66566 60475.09446 15839.72473 36891.33102 34484.47342 77206.23097 37684.42726 44964.45318 43234.74421 3358.043175 30937.49312 21540.37856 35380.30106 48588.45746 23946.3042 33219.06404 31405.41508 37954.22789 23240.95712 27826.85276 25301.45603 49044.46971 21421.8549 43824.40064 26338.97266 28499.2523 33445.1396 28142.1096 41895.03343 35922.12141 S-Adenosylmethionine 1362.497884 1819.882753 1439.026674 1438.420702 1657.322233 2208.924954 1004.539423 2208.354444 1388.801097 1859.588472 1914.764706 1509.527275 1390.122298 2272.647616 1535.080462 1692.475544 1565.899949 1172.178291 1754.791566 2169.076697 1466.255631 2103.994234 1620.397531 2109.495047 1487.568563 1926.441151 1427.39375 1460.297027 1901.910036 1965.060694 1194.034485 2239.908927 1306.197766 1492.35818 2182.8342 1948.642481 1634.806059 1250.56256 1466.622722 1218.31262 1763.529888 1463.373843 1471.549249 1655.023369 1757.017688 2058.910744 1427.916939 1347.663102 1421.566918 1686.481944 1550.398725 1290.796724 1960.739436 1433.746894 957.8222531 1234.672062 1443.415534 1344.342518 1394.648167 1748.361265 1107.497023 1162.35468 1668.231347 154.4322884 1482.502731 1251.652617 1657.76534 1169.119149 1994.015243 1793.871049 1412.067654 1965.68066 1523.29947 1470.115323 1151.313938 1295.979136 1045.078688 1662.809629 1552.604472 1208.154004 1073.881748 1282.636356 1532.260006 1895.389845 Serine 1664.982003 1595.040542 965.3275585 1253.082594 1907.207941 1990.692509 1022.152717 1422.087399 1291.203056 2252.64832 1843.966939 1198.150527 1862.576444 1234.518879 1082.361088 1002.096206 1663.708722 786.4801157 1505.69246 2438.004237 2488.420821 2041.897417 1512.286338 3084.723756 1257.986491 2228.441011 2199.75676 2286.773788 2925.517717 1570.467058 1430.231876 3432.371175 1539.993445 1816.076869 1808.654177 2288.489251 2221.561821 1888.56732 1075.360314 1183.252166 1563.028113 1070.727554 1050.26988 1168.778372 2116.522384 2570.069645 1774.632126 2309.144252 1445.589298 1896.682969 1895.223013 1359.819729 1633.145602 1307.009675 752.2482427 1519.47246 2346.403187 1951.432948 3806.419921 1885.545927 1844.839249 1476.955753 1766.086431 250.9406011 1583.568322 2213.909311 2055.546805 1147.154132 1837.211655 2922.395944 2012.057342 2517.020001 1432.170652 2154.254854 2423.946461 1088.481665 2033.987696 2415.085502 2293.918682 1655.806307 2073.273667 1887.790577 2534.497891 2670.246582 S-Methyl-methionine 29.42542025 44.83194895 29.41275697 76.2566753 153.3951424 168.0557086 41.63065093 16.29761095 57.06010294 1223.625513 176.6864231 440.9028307 81.04007375 32.94512287 25.2712704 25.69081851 42.71212776 31.22133407 21.5493302 9.470758133 15.51922601 9.113555053 14.88584408 134.225979 12.14697654 8.313172245 15.93603823 11.76423455 8.719964691 7.517768184 21.29104121 13.69841375 10.17369965 30.01075274 10.08861568 17.24629949 16.08732979 40.52951411 15.42719303 14.69029905 10.05473488 15.34740842 11.25335481 7.005324323 13.93960574 10.34915134 16.04351195 5.794399402 154.1951704 12.95680472 14.52088784 15.73813271 8.891266244 12.83519494 9.525817745 9.870105819 11.71853303 15.79925818 15.66419294 20.92886009 123.5796418 14.77534556 40.99118322 11.68680216 5.10727159 13.58764508 16.85687784 19.24157079 40.28563098 26.8444784 23.75719003 23.1971215 7.878568431 141.7311172 72.89145026 61.19469013 117.1606839 32.95911617 22.82040546 16.02050289 15.25805724 16.26706937 19.82933394 22.85967216 SN-GLYCERO-3-PHOSPHOCHOLINE 12332.83313 10772.58245 11936.91172 9379.504259 15825.83072 9581.208242 6709.858038 11545.75429 7768.075078 11818.96399 14547.86536 5818.131663 9698.577559 8114.499192 8636.768508 8295.423115 12334.89418 12440.88991 7156.484293 9048.735295 6670.361849 21777.60867 16905.75716 9426.435869 11542.81654 16255.79801 9552.230235 6477.068928 15728.04294 15213.93445 11563.54575 15775.99997 6560.928923 10540.5485 17632.1633 8708.49286 10751.39392 6603.613569 15770.74734 15919.72514 20307.84928 16002.30121 11063.47938 26041.05848 11262.39984 12068.35577 8834.154869 8119.105402 11630.68684 14026.24449 8159.138923 14629.52985 10234.23067 13718.63593 10866.15334 17204.07429 7232.689782 8796.77623 19372.70931 14367.35479 10950.65268 9673.64694 10293.56323 868.243014 13932.82083 6220.521279 7888.634036 10480.3423 10691.91833 11209.68723 9281.739543 14032.10692 23144.00883 11287.23377 9461.286313 13561.47452 4508.896347 14657.87632 11106.39998 6915.930375 9063.259917 8513.295365 12859.38243 15345.40345 Sorbitol 4821.370897 24614.82951 35842.46645 29548.24699 37320.48897 16995.98594 18816.45079 24352.67765 10990.61173 22416.29068 33638.6062 24337.25632 20568.99371 20864.46908 9055.104919 31964.99693 28619.93202 23208.73621 19105.22711 22089.70672 21025.05947 30615.1098 41189.29455 20262.90553 24700.80749 16639.9286 20218.01607 10688.37751 5308.846876 16535.43621 30086.54919 11890.63587 14807.47096 24565.41333 39585.64877 19220.20522 11559.33946 13802.58928 35458.03141 29027.49004 32637.3617 34746.84045 36586.46179 28714.84417 16667.04366 23662.05355 22357.80748 17289.66921 9363.679592 15787.83509 19194.16974 20662.21363 7003.546362 40661.12639 33920.31897 24694.09715 9726.449694 17676.71043 11018.49161 40068.45423 20352.47401 31431.47219 23100.55364 7699.98858 27769.31063 8412.310804 23732.06209 22825.72146 10791.25438 16023.1179 12609.21759 17761.36942 7015.458689 19370.81936 9826.754344 35575.31723 13986.15002 23275.66349 4783.25902 8778.903294 10753.45349 21141.51458 17863.00057 18140.50073 Soyasaponin I 113.9611302 110.3770675 84.49286864 80.55819332 115.7185255 134.3837833 108.6212361 156.0597519 94.31556825 81.37940982 138.4282758 100.8440498 81.39153266 108.8799939 191.6002169 132.023177 195.5175265 105.2539763 151.5258619 181.5745418 89.13385893 148.3898542 120.1064701 143.8289268 81.85545102 145.5936808 56.49485497 118.7956841 147.541112 147.7006267 101.2814863 250.5182068 96.62152078 198.8110891 144.957235 98.99245864 132.11666 140.0904983 155.9528907 112.3471108 131.7521645 128.2262973 74.99201097 135.7797545 129.3137552 123.9420042 86.89328253 151.4918105 2424.74826 3192.797369 89.06352306 150.7502225 383.4946806 139.9063069 111.2113296 71.54395033 72.34998326 102.1194453 171.1007 126.1431687 1188.654626 131.9818035 326.889828 74.20938027 149.5382736 102.9682028 86.81779757 105.3262513 567.5821556 151.7705702 82.69230084 222.6628422 129.5622288 199.8214779 339.9875966 131.27386 149.0275314 651.6777556 354.0518859 603.7895094 71.44041347 78.35260653 154.2853841 161.1381873 Spermidine 1902.625745 2879.095413 1400.602054 2422.190424 1881.880629 3314.558538 4290.552034 4571.250388 3157.191025 3590.798311 2732.686395 4120.970285 1534.785332 4351.649771 4285.351622 2343.126959 3743.307862 3632.877043 2551.486537 2742.900463 2234.469488 2935.764986 1925.041705 2292.974529 2703.480008 3566.699813 2220.891612 3195.32014 3589.287583 2524.440036 1907.058976 1865.278128 3231.30301 2628.745071 2285.530341 3526.060269 2550.56465 3367.311763 2619.257877 2516.893537 2394.033843 1826.45205 2277.63565 3217.225335 3280.490769 5014.003064 2287.073513 609.7474549 4370.492319 3856.909278 2318.20204 2319.314253 2140.547098 2633.580361 1316.396621 1338.008417 2702.50457 1619.257999 3019.513671 1996.509997 2498.620854 406.9995677 2249.310608 575.0644058 2190.818704 1431.840124 3790.294179 1992.245481 3418.250265 3144.663623 2633.035367 2097.007208 3417.065335 2981.18301 2892.229216 1890.555546 3051.621381 3946.479253 4825.852219 4674.712801 3065.432561 3129.819887 2676.689315 3610.094087 Spermine 43.082261 57.9491594 29.03436651 31.24937841 38.45594006 78.11126693 24.95665886 104.4936359 116.2756427 50.22743166 71.27596931 110.6887701 116.205616 107.1184152 93.0886278 59.35832518 92.09402202 108.59697 77.69964532 110.6172051 95.89809437 265.7162325 84.19305121 270.6973928 45.68189557 147.428569 80.2184797 409.2441845 744.9614079 148.3065205 192.7576765 170.7003264 122.5899756 148.6423241 54.68985151 96.69789385 179.0750006 185.712331 114.4871944 56.22968468 98.66125218 47.77674218 85.41698244 89.98218528 339.3723612 88.48944266 29.4112911 55.10065451 573.50493 223.3286239 78.45064118 20.16727615 262.6675766 44.43030993 20.41039301 23.33833212 403.8081583 25.73582468 358.7254123 62.10525191 222.0294706 78.94183426 63.91383473 35.77085484 82.76074742 196.7587444 93.34975655 122.608832 453.4824119 318.4659774 91.30462274 160.8504256 862.0201196 405.8293265 112.9962393 112.8960063 47.63582874 234.0823619 489.2245696 143.8053115 111.9454516 109.981962 134.4701863 240.7827209 Stachyose 6380.891707 1491.844681 964.7332825 1242.359116 1372.239022 3809.729973 920.8173461 1734.110909 4079.484823 1296.616869 1526.850988 778.1890485 2876.811174 1197.128037 4324.887166 1289.154897 4211.928678 1432.793352 3308.015302 3445.798732 3987.5138 5349.245845 3227.706459 9474.596888 1885.176555 16796.62712 14453.50646 6569.688598 16013.37891 2993.737746 2458.640957 8953.005035 1744.611934 9297.718494 1741.7961 5188.447361 12327.83821 7106.034923 2197.393574 2113.549629 7005.450473 10148.78191 4710.110051 36033.0043 12650.61358 5111.957552 2678.284106 1735.430419 8993.421648 2633.921453 6990.00269 19949.108 15557.27057 1485.8274 3491.882593 8120.948295 14852.93047 2864.087358 15028.37638 1263.818025 5357.755537 3243.47711 3782.226895 714.1085158 2587.646142 7364.788974 1713.04424 6607.882534 5089.934686 3920.165937 16316.03269 8908.564123 11016.77181 9282.831812 11158.67661 1143.863764 2297.455167 2825.251212 19494.66156 14302.74314 3748.822476 4194.435147 17463.8283 6337.263976 Sucrose 20296.71753 6715.296088 4237.265928 10109.08606 7024.706936 6647.675786 4759.773004 6268.762498 8905.222152 6345.862422 5605.8603 4231.899993 3814.768107 4288.966463 51727.76882 7773.449483 7166.042604 8838.93982 15007.39909 9109.332661 4241.596327 5210.406968 6230.829541 9592.951104 3153.853674 4605.382687 13400.8465 8277.304245 19457.99852 8862.662024 6521.106322 27858.49629 4769.258665 8804.601053 3923.997194 3363.638898 11336.91129 6452.777996 12532.04443 4953.363957 10611.89227 5900.71426 7148.549797 9271.124356 8057.397181 17706.49493 7852.427984 9643.176359 5630.021198 6822.048495 6319.080751 12642.82737 8871.90048 5704.083437 5074.676103 16254.0235 13548.13618 8014.130331 38952.96663 9309.147979 20955.27394 10731.53835 20075.93955 7511.054636 7532.229042 10052.74008 5257.999522 5201.397261 6060.930042 14486.43801 4612.589713 18352.13702 10097.59004 22579.95553 24165.1268 6976.410614 8832.029024 11458.65823 5228.323691 3735.738138 6058.019087 6483.197499 34933.67971 9194.616529 TETRAHYDROURIDINE 491.5713029 486.4132978 311.0164909 489.9289142 474.5101852 760.8849995 402.4021512 517.893364 765.9571675 782.5057195 573.82556 606.6781048 512.214569 731.16231 772.034649 479.1964681 653.8876351 634.4669317 533.9113269 774.8159127 745.4557467 614.5906513 561.8323879 1090.547756 507.6341945 847.2144738 559.3134882 834.1954105 1346.948197 735.777342 476.0125991 494.1432152 514.0259509 793.6011643 717.1656488 606.0131431 587.2478804 616.444371 463.1846863 658.879075 776.1001563 521.4061193 499.3150115 576.3566517 1124.934858 443.2330261 415.4368492 452.9771425 852.1586066 529.6870803 464.4057226 546.7037682 1021.26226 515.6095474 299.145655 494.0336441 724.2429538 444.6430455 678.6178459 744.7795999 514.7443868 701.5635498 576.1827687 145.0121391 730.9682798 709.2443531 525.4363637 504.8402548 852.2785349 703.9481103 573.7698553 879.6981583 630.0873948 610.7758197 580.276147 522.2931769 441.7772492 558.3546391 1015.053236 561.4791129 581.1626468 449.2357614 674.0996469 660.6831197 Tetramethylpiperidin-4-amine 3295.689326 3517.048302 3753.694504 2573.031213 2584.56282 2803.602425 3039.224743 3617.48835 3702.864382 2977.655292 2606.016397 2036.85201 3386.867267 2990.191045 3224.793101 3224.354162 3472.307978 2850.620834 2096.014618 1886.958681 2611.112869 2548.884436 3303.249107 2731.167559 2514.373787 1895.319196 1914.083638 1444.516945 3850.825921 2013.560453 1867.241662 2059.322728 2433.897564 5686.505345 2696.631701 3125.21792 3978.916735 3684.831266 5630.550762 3265.652387 4089.584504 3028.066052 2531.382118 3658.397562 1847.669885 3064.797308 3508.080445 2264.931729 2088.642961 2094.496879 2876.585839 3593.908354 3257.704023 4137.71166 3113.176901 2558.843424 2457.016888 2687.078575 2314.841998 1772.329281 2613.872249 2787.854613 2872.522943 4639.836312 2902.377894 1713.671297 1748.391412 2342.742645 2348.825043 1277.471348 2046.523187 1751.709686 2257.347422 2212.750769 2300.764455 1600.794376 1921.713975 2239.92675 1308.07823 1377.828136 1712.878751 1750.529062 1989.788523 1700.879087 Thioinosine 241.1766247 253.4241232 398.2468091 466.9133657 424.3662007 545.9318354 188.4740473 291.8961571 518.6045451 540.5019218 568.3981112 621.6068194 631.6923974 594.7004358 574.4152979 609.3024739 943.9310387 414.770722 249.4285992 770.5193506 423.9507703 530.2094994 390.111088 483.3707815 396.7220384 307.4975403 348.6110837 257.8252879 423.0230535 389.0234424 331.0731555 244.9913265 311.8485773 356.8154066 445.1912873 234.2153656 333.8800062 237.925696 312.9690062 365.2115681 310.0509191 503.6300735 326.935486 377.6762474 585.1322746 406.2180712 234.8856704 578.3854085 323.1078748 204.5051974 359.1220843 425.5434396 403.8438312 371.1083734 400.3506117 249.516914 450.7567996 309.6925983 375.3835339 396.0198437 252.8445414 320.3134889 266.7038337 201.9614142 333.8719065 260.8688452 379.9388315 275.7138511 326.4011213 249.7329399 304.2296574 189.025776 350.6935028 237.8877851 202.6869792 297.3372434 343.1160226 416.4594852 321.9832395 235.693961 399.2064945 347.2021265 456.2699787 300.6126895 Threonine 2113.581592 3667.256363 3971.69267 3129.99325 3367.412856 2630.677408 2069.640612 3025.288618 2319.151777 3125.79474 4074.972867 2098.294609 2221.572735 2342.837779 1291.87986 2632.602807 2441.13856 1671.909225 2056.49197 2776.755241 2984.13963 4507.676561 5189.626549 3095.739199 4215.405283 3243.815563 3793.171026 3181.944674 2650.633373 3259.843168 3020.092361 2010.382685 2192.766233 2841.164054 4795.006569 4431.01044 1906.373841 2522.46728 3428.537978 3382.199523 7009.039397 4969.294402 2932.645899 4068.192326 3048.124295 3737.176461 3163.227279 2649.113753 2684.149402 2179.878741 1880.851541 2110.747498 1872.610945 3202.506781 2570.177263 4733.87083 2399.335691 2313.896588 4460.90637 5615.384255 3414.630495 3121.439776 3926.075332 194.6029243 3500.2232 1777.413993 2818.567885 2577.538659 2269.823401 4280.465368 2447.699026 3712.409353 2614.995727 2070.123497 4328.651349 3269.388374 2224.624654 4020.689256 2766.933843 2439.141527 2777.857419 2557.326774 6052.619112 3931.790657 Thymine 453.502713 22.0087796 19.88342301 46.20668325 13.20922794 71.76580428 45.89066608 44.05962929 122.1438759 20.11957277 21.3377625 17.27137864 64.49348718 31.24301658 158.6101829 14.69070684 51.61158559 15.7324252 84.36597157 87.83260818 74.03454642 119.3169015 20.50944254 142.8498807 32.02683135 97.5994155 174.833271 124.3380848 293.3216608 80.86353347 37.34384325 167.1661235 65.79503781 180.8632257 20.87715053 86.68829483 331.5465064 164.2499852 34.2616474 19.12045457 23.44848357 12.00487378 33.39450625 13.96973975 87.71955072 12.13360805 19.08940137 39.86814793 384.3575074 93.98431241 70.94293171 37.51345437 184.4478867 16.94761376 16.56309274 21.35257613 207.9964819 82.54522521 149.8622833 20.34404022 49.32884367 52.9072668 40.34298166 21.5213339 44.13987282 94.46257543 46.93024985 125.6996834 145.7477479 99.94323147 108.6634172 252.3657338 238.0052425 186.1321038 244.4075794 30.89243152 103.9004284 110.8350953 168.1914491 294.3855976 106.5082769 94.67760711 59.65645586 72.99373961 Trigonelline 234.3051119 29.47990212 26.63736299 114.2463643 19.8582685 44.27795445 42.04263857 58.87721876 30.25090805 23.20322647 32.5547589 30.7467593 22.32951001 16.52797735 19.88462889 26.99344616 27.79632768 22.06794145 47.47696784 41.33511695 20.08850745 31.16085783 48.25602866 57.84074673 35.726777 33.15880891 245.7366336 90.93579135 108.7777671 134.0174557 33.5586157 950.5922261 61.24401134 587.3553076 55.7092381 51.95946413 37.19868757 97.65198021 141.5719328 50.69747838 98.6499683 85.01036354 80.48909462 73.16774807 147.2721922 65.77179168 106.2570833 155.2505332 1251.248066 383.4731244 463.343117 436.448233 184.3265163 111.6651909 55.19532211 142.9973406 193.7957578 326.5447875 263.4371284 127.5038674 685.3998099 171.4359638 356.2686609 25.32705806 88.6145118 56.66521396 58.50573027 119.0255361 631.3376373 645.3999405 148.2767297 2179.824325 25.28552249 882.1532809 1840.221904 417.2536513 240.794541 904.7461205 382.599683 270.4011242 66.43894139 147.8954644 180.4605666 294.4632509 URACIL 815.6737574 125.1674273 63.8303319 122.2533519 169.865931 254.088124 133.9284147 131.298498 398.9582225 113.4031872 104.3161091 113.3884272 277.9553002 130.0810709 270.7096874 57.99582304 252.4665404 100.3101118 211.5795386 255.1441111 358.4599843 323.4478184 50.96092699 921.4505092 58.95576272 733.8229451 712.6123677 478.6541465 912.2043346 245.1186968 232.7924148 689.3316121 301.7494295 429.5346147 66.30128033 239.5890089 808.2486421 377.5316254 141.0236231 82.74139419 108.4225982 135.8791756 97.04785212 62.07714894 801.8166068 100.6509375 181.6924297 325.3073482 1508.353538 421.1767619 431.0525801 274.542368 941.2883376 143.6824025 76.33487178 80.95101185 496.4489786 352.3934438 771.5570754 124.508047 444.4137323 282.8717609 249.1655511 50.18308149 238.5730351 682.5243594 211.2664366 562.2250257 654.345504 554.3555303 366.788667 1078.446237 622.7940882 571.6487598 771.3907204 171.8321925 633.2217545 613.018845 831.6457576 1052.406668 808.7597715 371.18235 636.3655914 597.4230616 Uridine 5'-diphosphate 5724.752922 4485.306968 5477.593778 4144.746307 5769.479768 5570.094464 4491.509828 4822.519917 3950.8889 4380.551459 5199.929917 4587.890889 4335.078593 4840.254296 4592.678509 4576.311412 4119.735201 4574.548789 5823.970198 4791.693928 4264.560713 5137.484194 5498.507047 4689.001933 5079.236929 4720.621048 5080.715823 4812.374353 4430.96916 4486.411213 4087.608224 6000.067753 3360.303589 3131.851425 5432.420926 4576.062193 2535.173908 3483.315092 5104.223546 5566.770652 6969.176744 4785.601048 4616.571767 4354.191585 4557.484037 7825.773693 4688.459008 5599.696633 3612.440583 5095.535851 5043.815981 4360.790974 4126.632313 5481.292953 4886.494113 7862.056465 5193.33213 5375.810929 9426.369605 5896.503325 8633.494504 4422.257556 7836.630321 1614.923099 4536.609741 3706.630206 5273.268316 5558.600042 4779.7577 6292.273986 3074.731443 5634.816595 2607.236984 4399.988899 9591.33797 4797.934018 6005.556158 6010.338438 4593.616312 3717.654564 5300.475542 4217.939553 10822.46103 5906.633704 UROCANATE 38.77180456 36.63819422 58.73891901 48.33487111 37.11028859 34.8948571 44.52717614 49.22586358 44.57445047 59.97836428 46.39608301 31.1205534 67.12857861 51.1920122 44.35801356 92.74452329 39.99220178 64.08861331 51.67403031 44.77306777 58.69017274 59.66626071 134.5719579 63.39842438 30.16753154 67.48670845 46.47132265 32.97698935 46.15012673 154.6553221 59.70735593 26.47431068 54.98308271 50.15339881 84.37819633 31.61402375 37.77066091 35.08886553 53.11961292 35.22811612 74.57057532 60.08670695 58.8777998 48.66072544 59.82667693 49.29345399 78.04797646 155.6892309 57.42716159 58.00989606 88.04053614 84.83022067 62.58931178 54.54798998 206.7421634 63.98710937 117.4565129 71.54489643 59.98716655 50.352557 97.7848498 114.4708285 78.75713204 44.47246843 98.78938794 65.48519483 133.1908813 145.1677607 74.13651008 154.2771749 36.09738401 66.63216968 101.6879294 57.44849175 86.98534112 63.03650461 70.62838324 97.23642097 108.4837596 101.6382982 56.6114406 40.87188996 122.5892153 399.3101688 Valylglutamic acid 1288.639267 652.0258599 571.0790621 562.9543264 556.8030435 938.8414921 646.6356462 721.8553211 966.6216945 813.7906279 851.8139526 633.0379762 608.441733 645.9376457 1085.514053 831.0318922 796.2558593 641.2025608 670.8300616 1032.389273 732.6545937 1072.599887 649.1675636 1062.780284 576.0010082 1307.242502 974.1673527 924.9658874 1587.624264 992.1148403 770.91808 506.5482816 591.7222789 870.4199586 789.7313449 831.8633706 1159.951792 861.8119976 513.4128299 744.203208 592.8024135 543.5731662 697.3886786 472.7530074 975.0252344 668.0968736 615.1875688 775.370766 1202.278421 881.9623947 671.7745968 631.7174338 1163.604083 627.2762121 430.588197 572.9589377 1210.31313 599.6966117 1081.19215 903.4425656 629.810464 878.5997969 634.1204872 273.7779054 932.3969799 880.5175189 880.0416898 838.449496 1079.787967 902.2125362 966.7338651 1124.296512 2105.380446 1030.594422 944.198172 563.2265839 624.3729791 842.1760875 1666.216503 1099.029818 936.7957095 805.3334918 854.8944393 1106.263852 Valylhydroxyproline 598.652766 1593.873419 1769.427118 1251.669431 1672.966503 1335.088699 1064.798831 1486.028682 908.3165947 1435.558217 1616.13618 1440.683604 1133.857836 1562.097186 396.8659282 1609.444861 1253.913206 1370.400774 1026.412843 1256.201144 1369.876571 1261.29133 2074.507499 954.7747587 2101.71144 1003.897893 1075.392925 685.7126658 824.7463457 1075.652999 1451.54964 726.2341953 1138.259177 1203.118666 1635.226957 1059.422798 501.6935605 1353.941195 1451.338302 1622.585137 2642.836336 2755.62343 1486.109537 2041.617254 1780.723263 1105.806626 1227.495406 885.2237334 917.3674569 1084.603876 929.0597519 1139.435371 984.4249226 1712.230274 2297.864622 1898.254924 670.0784154 1213.799835 657.8211952 2163.876697 1007.078201 1562.481552 1770.005251 562.0844132 1655.858777 774.8595689 1096.95561 1322.453791 994.4109476 1020.460196 1097.793591 1156.426195 682.8672143 764.3298679 580.123428 1298.700329 858.2139472 1286.647937 750.1570101 696.0152654 878.442366 902.5191691 1131.173616 1053.707649 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name m/z Adducts Formula Retention time (min) 1-Rhamnono-1,4-lactone 163.0599364 M+H-H2O, M+H C6H10O5 1.5368 2-Amino-1-phenylethanol 120.0808197 M+H-H2O C8H11NO 3.256866667 2-Amino-9-[(2R,4S,5R)-5-(hydroperoxymethyl)-4-hydroxyoxolan-2-yl]-1H-purin-6-one 284.0991415 M+H C10H13N5O5 2.46825 2-Deoxy-2,3-dehydro-n-acetyl-neuraminic acid 314.0849285 M+Na C11H17NO8 2.364666667 3-Hydroxyproline 154.0475712 M+Na C5H9NO3 2.662466667 4-Hydroxybenzaldehyde 123.0442739 M+H C7H6O2 1.996783333 5-Aminopentanoic acid 118.0863022 M+H C5H11NO2 1.722033333 5'-N-Ethylcarboxamidoadenosine 309.1295313 M+H C12H16N6O4 1.5368 8-Oxo-dGMP 364.065659 M+H C10H14N5O8P 1.722033333 Adenosine-3-monophosphate 348.070623 M+H C10H14N5O7P 1.722033333 Aminocyclopropanecarboxylic acid 84.04445516 M+H-H2O, M+H C4H7NO2 1.481183333 Aminoisobutyric acid 104.0707199 M+H C4H9NO2 1.5508 Anserine 223.1177576 M+H-H2O C10H16N4O3 1.522466667 Arabitol 175.0580597 M+Na C5H12O5 1.563816667 Betaine 140.0684198 M+Na C5H11NO2 2.018983333 beta-Nicotinamide adenine dinucleotide 664.117239 M+H, M+Na C21H27N7O14P2 2.12225 Cinnamic acid 131.0488491 M+H-H2O C9H8O2 11.36058333 Citrulline 158.0922533 M+H-H2O C6H13N3O3 1.32355 Cysteineglutathione disulfide 427.0951016 M+H C13H22N4O8S2 1.507933333 Cytidine 5'-diphosphocholine 489.1151715 M+H, M+Na C14H26N4O11P2 1.694966667 Deoxyadenosine 234.0974496 M+H-H2O C10H13N5O3 1.522466667 Deoxyfructosyllysine 309.1659264 M+H C12H24N2O7 1.289366667 Deoxypyridoxine 136.0756978 M+H-H2O C8H11NO2 1.996783333 Fenoterol 304.1529858 M+H C17H21NO4 1.401783333 Galactose 181.0706055 M+H-H2O, M+H C6H12O6 8.41285 gamma-Glutamylglutamine 276.1181811 M+H C10H17N3O6 1.589366667 Glutamylarginine 304.1618512 M+H C11H21N5O5 1.277166667 Glutamylaspartic acid 263.0860766 M+H C9H14N2O7 1.5508 Glutamylphenylalanine 295.1288397 M+H C14H18N2O5 5.95825 Glycerophosphocholine 280.0925328 M+Na C8H20NO6P 1.694966667 Guanidinobutyric acid 146.092235 M+H C5H11N3O2 1.7293 Hexadecenoic acid (metab) 255.231763 M+H-H2O, M+H C16H30O2 12.05245 Hydrocortisone 385.1989137 M+Na C21H30O5 11.08943333 Hydroxycinnamic acid 165.0548694 M+H C9H8O3 1.996783333 Hypoxanthine 137.0458021 M+H C5H4N4O 2.567666667 Imidazolepropionic acid 123.055248 M+H-H2O C6H8N2O2 2.2743 Isoleucine 132.1019749 M+H C6H13NO2 2.159566667 ISORHAMNETINE-3-RUTINOSIDE 647.1585365 M+H, M+Na C28H32O16 10.74716667 Kaempferol 3-O-rhamnopyranosyl(1-2)-galactopyranoside-7-O-glucopyranoside 757.2188702 M+H, M+Na C33H40O20 10.61833333 Kaempferol-3-Glucoside-3''-Rhamnoside 595.1658487 M+H, M+Na C27H30O15 10.63205 Kestose 487.1664038 M+H-H2O, M+H C18H32O16 1.5508 Lactitol 345.139454 M+H C12H24O11 1.522466667 LPC 18:1 522.3547228 M+H, M+Na C26H52NO7P 12.27368333 Lysine 147.1128159 M+H-H2O, M+H C6H14N2O2 1.267933333 Lysylthreonine 248.1606547 M+H C10H21N3O4 1.241133333 Melibiose 325.113192 M+H-H2O, M+H C12H22O11 1.5368 Methionine 150.0583005 M+H, M+Na C5H11NO2S 1.945316667 Methylxanthine 189.0389804 M+Na C6H6N4O2 1.736033333 myo-Inositol 203.0527869 M+Na C6H12O6 1.5508 N-(1-Deoxy-1-fructosyl)proline 278.1235711 M+H C11H19NO7 1.945316667 N,N,N-Trimethyllysine 189.1596735 M+H C9H20N2O2 1.507933333 N,N-Dimethylarginine 203.150165 M+H C8H18N4O2 1.6592 N6-Methyl-lysine 161.128528 M+H C7H16N2O2 1.315466667 N6-Succinyladenosine 384.1158009 M+H C14H17N5O8 4.401066667 Ne,Ne dimethyllysine 175.1438545 M+H C8H18N2O2 1.41915 N-Fructosyl tyrosine 344.1343034 M+H C15H21NO8 2.129966667 Nicotinic acid 124.039422 M+H C6H5NO2 2.965833333 N-Oleoyl tyrosine 468.3073852 M+Na C27H43NO4 12.08235 Octylamine 130.1591077 M+H C8H19N 6.653216667 Peltatoside 597.1448064 M+H, M+Na C26H28O16 10.23641667 Phosphoarginine 255.0853425 M+H C6H15N4O5P 1.410566667 Phosphohexose 225.0159664 M+H-H2O C6H11O8P 1.522466667 PHOSPHORYLCHOLINE 184.0732381 M+H C5H14NO4P 1.6592 Pipecolic acid 130.08634 M+H C6H11NO2 1.267933333 Proline 116.0707199 M+H C5H9NO2 1.694966667 S-Adenosylmethionine 399.1447769 M+H C15H22N6O5S 1.522466667 Serine 106.049952 M+H C3H7NO3 1.49415 S-Methyl-methionine 164.0739916 M+H C6H13NO2S 1.3568 SN-GLYCERO-3-PHOSPHOCHOLINE 258.1101523 M+H C8H20NO6P 1.709233333 Sorbitol 205.0689959 M+Na C6H14O6 1.5508 Soyasaponin I 943.5279078 M+H, M+Na C48H78O18 11.94108333 Spermidine 146.1652215 M+H C7H19N3 1.049133333 Spermine 203.2231079 M+H C10H26N4 0.979083333 Stachyose 667.2297928 M+H-H2O, M+H, M+Na C24H42O21 1.5368 Sucrose 365.1058595 M+Na C12H22O11 1.576883333 TETRAHYDROURIDINE 231.0974394 M+H-H2O C9H16N2O6 2.219416667 Tetramethylpiperidin-4-amine 157.1699322 M+H C9H20N2 1.214483333 Thioinosine 285.0657438 M+H C10H12N4O4S 10.30443333 Threonine 120.0656279 M+H C4H9NO3 1.507933333 Thymine 127.0501981 M+H C5H6N2O2 4.331533333 Trigonelline 160.0368736 M+Na C7H7NO2 3.02545 URACIL 113.0346677 M+H C4H4N2O2 2.18925 Uridine 5'-diphosphate 405.0103765 M+H C9H14N2O12P2 1.64135 UROCANATE 121.0400146 M+H-H2O C6H6N2O2 2.7992 Valylglutamic acid 247.1290032 M+H C10H18N2O5 2.8379 Valylhydroxyproline 231.1338843 M+H, M+Na C10H18N2O4 1.694966667 METABOLITES_END #END