#METABOLOMICS WORKBENCH bmarie_20230126_062708 DATATRACK_ID:3705 STUDY_ID:ST002460 ANALYSIS_ID:AN004014 PROJECT_ID:PR001587
VERSION 1
CREATED_ON February 1, 2023, 8:58 am
#PROJECT
PR:PROJECT_TITLE Palaemon metabolomics
PR:PROJECT_TYPE Metabolomics
PR:PROJECT_SUMMARY The prawn Palaemon serratus exhibits a large distribution (occurring along the
PR:PROJECT_SUMMARY Northeastern Atlantic coast to the Mediterranean), and has thus been found
PR:PROJECT_SUMMARY suitable as model organism valuable for various ecotoxicological studies.
PR:PROJECT_SUMMARY However, little is still known about the potential input of its metabolome and
PR:PROJECT_SUMMARY particularly concerning a potential molecular sexual dimorphism observable in
PR:PROJECT_SUMMARY the different tissues of this organism. In an ecotoxicological point of view,
PR:PROJECT_SUMMARY inter-sex and inter-organ differences of the metabolomes may introduce
PR:PROJECT_SUMMARY analytical bias and impact the robustness of the analysis and its
PR:PROJECT_SUMMARY interpretation. To explore such possibilities, we obtained qualitative
PR:PROJECT_SUMMARY metabolomic data from the analysis of different organs of mature male and female
PR:PROJECT_SUMMARY Palaemon serratus. We used ultra-high-performance liquid
PR:PROJECT_SUMMARY chromatography-electrospray ionization-high resolution tandem mass spectrometry
PR:PROJECT_SUMMARY (UHPLC-ESI-HRMS on positive mode) to characterize the 75%-extracted metabolome
PR:PROJECT_SUMMARY of both gills, hepatopancreas, nervous gland, muscle and gonads.
PR:INSTITUTE National Museum of Natural History
PR:DEPARTMENT Aviv
PR:LABORATORY UMR 7245 MCAM
PR:LAST_NAME Marie
PR:FIRST_NAME Benjamin
PR:ADDRESS 12 rue Buffon 75005 Paris - France
PR:EMAIL bmarie@mnhn.fr
PR:PHONE 331 40 79 32 12
#STUDY
ST:STUDY_TITLE Paleamon metabolomics
ST:STUDY_TYPE metabolomics
ST:STUDY_SUMMARY The prawn Palaemon serratus exhibits a large distribution (occurring along the
ST:STUDY_SUMMARY Northeastern Atlantic coast to the Mediterranean), and has thus been found
ST:STUDY_SUMMARY suitable as model organism valuable for various ecotoxicological studies.
ST:STUDY_SUMMARY However, little is still known about the potential input of its metabolome and
ST:STUDY_SUMMARY particularly concerning a potential molecular sexual dimorphism observable in
ST:STUDY_SUMMARY the different tissues of this organism. In an ecotoxicological point of view,
ST:STUDY_SUMMARY inter-sex and inter-organ differences of the metabolomes may introduce
ST:STUDY_SUMMARY analytical bias and impact the robustness of the analysis and its
ST:STUDY_SUMMARY interpretation. To explore such possibilities, we obtained qualitative
ST:STUDY_SUMMARY metabolomic data from the analysis of different organs of mature male and female
ST:STUDY_SUMMARY Palaemon serratus. We used ultra-high-performance liquid
ST:STUDY_SUMMARY chromatography-electrospray ionization-high resolution tandem mass spectrometry
ST:STUDY_SUMMARY (UHPLC-ESI-HRMS on positive mode) to characterize the 75%-extracted metabolome
ST:STUDY_SUMMARY of both gills, hepatopancreas, nervous gland, muscle and gonads.
ST:INSTITUTE National Museum of Natural History
ST:DEPARTMENT Aviv
ST:LABORATORY UMR 7245 MCAM
ST:LAST_NAME Marie
ST:FIRST_NAME Benjamin
ST:ADDRESS 12 rue Buffon 75005 Paris - France
ST:EMAIL bmarie@mnhn.fr
ST:PHONE 331 40 79 32 12
ST:NUM_GROUPS 10
ST:TOTAL_SUBJECTS 100
ST:NUM_MALES 50
ST:NUM_FEMALES 50
#SUBJECT
SU:SUBJECT_TYPE Other organism
SU:SUBJECT_SPECIES Palaemon serratus
SU:TAXONOMY_ID 645159
SU:AGE_OR_AGE_RANGE Adults
SU:WEIGHT_OR_WEIGHT_RANGE 10g
SU:HEIGHT_OR_HEIGHT_RANGE 5cm
SU:GENDER Male and female
#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 - 20210712_Palaemon_Branchie_F1_61_01_10964 Organ:Gills | sex:Female RAW_FILE_NAME=20210712_Palaemon_Branchie_F1_61_01_10964.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_Branchie_F2_62_01_10965 Organ:Gills | sex:Female RAW_FILE_NAME=20210712_Palaemon_Branchie_F2_62_01_10965.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_Branchie_F3_63_01_10966 Organ:Gills | sex:Female RAW_FILE_NAME=20210712_Palaemon_Branchie_F3_63_01_10966.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_Branchie_F4_64_01_10967 Organ:Gills | sex:Female RAW_FILE_NAME=20210712_Palaemon_Branchie_F4_64_01_10967.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_Branchie_F5_65_01_10968 Organ:Gills | sex:Female RAW_FILE_NAME=20210712_Palaemon_Branchie_F5_65_01_10968.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_Branchie_F6_66_01_10969 Organ:Gills | sex:Female RAW_FILE_NAME=20210712_Palaemon_Branchie_F6_66_01_10969.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_Branchie_F7_67_01_10970 Organ:Gills | sex:Female RAW_FILE_NAME=20210712_Palaemon_Branchie_F7_67_01_10970.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_Branchie_F8_68_01_10971 Organ:Gills | sex:Female RAW_FILE_NAME=20210712_Palaemon_Branchie_F8_68_01_10971.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_Branchie_F9_69_01_10972 Organ:Gills | sex:Female RAW_FILE_NAME=20210712_Palaemon_Branchie_F9_69_01_10972.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_Branchie_F10_70_01_10973 Organ:Gills | sex:Female RAW_FILE_NAME=20210712_Palaemon_Branchie_F10_70_01_10973.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_Branchie_M1_71_01_10979 Organ:Gills | sex:Male RAW_FILE_NAME=20210712_Palaemon_Branchie_M1_71_01_10979.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_Branchie_M2_72_01_10980 Organ:Gills | sex:Male RAW_FILE_NAME=20210712_Palaemon_Branchie_M2_72_01_10980.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_Branchie_M3_73_01_10981 Organ:Gills | sex:Male RAW_FILE_NAME=20210712_Palaemon_Branchie_M3_73_01_10981.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_Branchie_M4_74_01_10982 Organ:Gills | sex:Male RAW_FILE_NAME=20210712_Palaemon_Branchie_M4_74_01_10982.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_Branchie_M5_75_01_10983 Organ:Gills | sex:Male RAW_FILE_NAME=20210712_Palaemon_Branchie_M5_75_01_10983.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_Branchie_M6_76_01_10984 Organ:Gills | sex:Male RAW_FILE_NAME=20210712_Palaemon_Branchie_M6_76_01_10984.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_Branchie_M7_77_01_10985 Organ:Gills | sex:Male RAW_FILE_NAME=20210712_Palaemon_Branchie_M7_77_01_10985.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_Branchie_M8_78_01_10986 Organ:Gills | sex:Male RAW_FILE_NAME=20210712_Palaemon_Branchie_M8_78_01_10986.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_Branchie_M9_79_01_10987 Organ:Gills | sex:Male RAW_FILE_NAME=20210712_Palaemon_Branchie_M9_79_01_10987.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_Branchie_M10_80_01_10988 Organ:Gills | sex:Male RAW_FILE_NAME=20210712_Palaemon_Branchie_M10_80_01_10988.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_GlandeNerveuse_F1_21_01_11039 Organ:Nervous gland | sex:Female RAW_FILE_NAME=20210712_Palaemon_GlandeNerveuse_F1_21_01_11039.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_GlandeNerveuse_F2_22_01_11040 Organ:Nervous gland | sex:Female RAW_FILE_NAME=20210712_Palaemon_GlandeNerveuse_F2_22_01_11040.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_GlandeNerveuse_F3_23_01_11041 Organ:Nervous gland | sex:Female RAW_FILE_NAME=20210712_Palaemon_GlandeNerveuse_F3_23_01_11041.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_GlandeNerveuse_F4_24_01_11042 Organ:Nervous gland | sex:Female RAW_FILE_NAME=20210712_Palaemon_GlandeNerveuse_F4_24_01_11042.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_GlandeNerveuse_F5_25_01_11043 Organ:Nervous gland | sex:Female RAW_FILE_NAME=20210712_Palaemon_GlandeNerveuse_F5_25_01_11043.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_GlandeNerveuse_F6_26_01_11044 Organ:Nervous gland | sex:Female RAW_FILE_NAME=20210712_Palaemon_GlandeNerveuse_F6_26_01_11044.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_GlandeNerveuse_F7_27_01_11045 Organ:Nervous gland | sex:Female RAW_FILE_NAME=20210712_Palaemon_GlandeNerveuse_F7_27_01_11045.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_GlandeNerveuse_F8_28_01_11046 Organ:Nervous gland | sex:Female RAW_FILE_NAME=20210712_Palaemon_GlandeNerveuse_F8_28_01_11046.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_GlandeNerveuse_F9_29_01_11047 Organ:Nervous gland | sex:Female RAW_FILE_NAME=20210712_Palaemon_GlandeNerveuse_F9_29_01_11047.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_GlandeNerveuse_F10_30_01_11048 Organ:Nervous gland | sex:Female RAW_FILE_NAME=20210712_Palaemon_GlandeNerveuse_F10_30_01_11048.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_GlandeNerveuse_M1_31_01_11059 Organ:Nervous gland | sex:Male RAW_FILE_NAME=20210712_Palaemon_GlandeNerveuse_M1_31_01_11059.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_GlandeNerveuse_M2_32_01_11060 Organ:Nervous gland | sex:Male RAW_FILE_NAME=20210712_Palaemon_GlandeNerveuse_M2_32_01_11060.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_GlandeNerveuse_M3_33_01_11061 Organ:Nervous gland | sex:Male RAW_FILE_NAME=20210712_Palaemon_GlandeNerveuse_M3_33_01_11061.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_GlandeNerveuse_M4_34_01_11062 Organ:Nervous gland | sex:Male RAW_FILE_NAME=20210712_Palaemon_GlandeNerveuse_M4_34_01_11062.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_GlandeNerveuse_M5_35_01_11063 Organ:Nervous gland | sex:Male RAW_FILE_NAME=20210712_Palaemon_GlandeNerveuse_M5_35_01_11063.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_GlandeNerveuse_M6_36_01_11064 Organ:Nervous gland | sex:Male RAW_FILE_NAME=20210712_Palaemon_GlandeNerveuse_M6_36_01_11064.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_GlandeNerveuse_M7_37_01_11065 Organ:Nervous gland | sex:Male RAW_FILE_NAME=20210712_Palaemon_GlandeNerveuse_M7_37_01_11065.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_GlandeNerveuse_M8_38_01_11066 Organ:Nervous gland | sex:Male RAW_FILE_NAME=20210712_Palaemon_GlandeNerveuse_M8_38_01_11066.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_GlandeNerveuse_M9_39_01_11067 Organ:Nervous gland | sex:Male RAW_FILE_NAME=20210712_Palaemon_GlandeNerveuse_M9_39_01_11067.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_GlandeNerveuse_M10_40_01_11068 Organ:Nervous gland | sex:Male RAW_FILE_NAME=20210712_Palaemon_GlandeNerveuse_M10_40_01_11068.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_Gonad_F1_41_01_10924 Organ:Gonads | sex:Female RAW_FILE_NAME=20210712_Palaemon_Gonad_F1_41_01_10924.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_Gonad_F2_42_01_10925 Organ:Gonads | sex:Female RAW_FILE_NAME=20210712_Palaemon_Gonad_F2_42_01_10925.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_Gonad_F3_43_01_10926 Organ:Gonads | sex:Female RAW_FILE_NAME=20210712_Palaemon_Gonad_F3_43_01_10926.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_Gonad_F4_44_01_10927 Organ:Gonads | sex:Female RAW_FILE_NAME=20210712_Palaemon_Gonad_F4_44_01_10927.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_Gonad_F5_45_01_10928 Organ:Gonads | sex:Female RAW_FILE_NAME=20210712_Palaemon_Gonad_F5_45_01_10928.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_Gonad_F6_46_01_10929 Organ:Gonads | sex:Female RAW_FILE_NAME=20210712_Palaemon_Gonad_F6_46_01_10929.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_Gonad_F7_47_01_10930 Organ:Gonads | sex:Female RAW_FILE_NAME=20210712_Palaemon_Gonad_F7_47_01_10930.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_Gonad_F8_48_01_10931 Organ:Gonads | sex:Female RAW_FILE_NAME=20210712_Palaemon_Gonad_F8_48_01_10931.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_Gonad_F9_49_01_10932 Organ:Gonads | sex:Female RAW_FILE_NAME=20210712_Palaemon_Gonad_F9_49_01_10932.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_Gonad_F10_50_01_10933 Organ:Gonads | sex:Female RAW_FILE_NAME=20210712_Palaemon_Gonad_F10_50_01_10933.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_Gonad_M1_51_01_10944 Organ:Gonads | sex:Male RAW_FILE_NAME=20210712_Palaemon_Gonad_M1_51_01_10944.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_Gonad_M2_52_01_10945 Organ:Gonads | sex:Male RAW_FILE_NAME=20210712_Palaemon_Gonad_M2_52_01_10945.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_Gonad_M3_53_01_10946 Organ:Gonads | sex:Male RAW_FILE_NAME=20210712_Palaemon_Gonad_M3_53_01_10946.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_Gonad_M4_54_01_10947 Organ:Gonads | sex:Male RAW_FILE_NAME=20210712_Palaemon_Gonad_M4_54_01_10947.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_Gonad_M5_55_01_10948 Organ:Gonads | sex:Male RAW_FILE_NAME=20210712_Palaemon_Gonad_M5_55_01_10948.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_Gonad_M6_56_01_10949 Organ:Gonads | sex:Male RAW_FILE_NAME=20210712_Palaemon_Gonad_M6_56_01_10949.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_Gonad_M7_57_01_10950 Organ:Gonads | sex:Male RAW_FILE_NAME=20210712_Palaemon_Gonad_M7_57_01_10950.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_Gonad_M8_58_01_10951 Organ:Gonads | sex:Male RAW_FILE_NAME=20210712_Palaemon_Gonad_M8_58_01_10951.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_Gonad_M9_59_01_10952 Organ:Gonads | sex:Male RAW_FILE_NAME=20210712_Palaemon_Gonad_M9_59_01_10952.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_Gonad_M10_60_01_10953 Organ:Gonads | sex:Male RAW_FILE_NAME=20210712_Palaemon_Gonad_M10_60_01_10953.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_HP_F1_1_01_11079 Organ:Hepatopancreas | sex:Female RAW_FILE_NAME=20210712_Palaemon_HP_F1_1_01_11079.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_HP_F2_2_01_11080 Organ:Hepatopancreas | sex:Female RAW_FILE_NAME=20210712_Palaemon_HP_F2_2_01_11080.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_HP_F3_3_01_11081 Organ:Hepatopancreas | sex:Female RAW_FILE_NAME=20210712_Palaemon_HP_F3_3_01_11081.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_HP_F4_4_01_11082 Organ:Hepatopancreas | sex:Female RAW_FILE_NAME=20210712_Palaemon_HP_F4_4_01_11082.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_HP_F5_5_01_11083 Organ:Hepatopancreas | sex:Female RAW_FILE_NAME=20210712_Palaemon_HP_F5_5_01_11083.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_HP_F6_6_01_11084 Organ:Hepatopancreas | sex:Female RAW_FILE_NAME=20210712_Palaemon_HP_F6_6_01_11084.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_HP_F7_7_01_11085 Organ:Hepatopancreas | sex:Female RAW_FILE_NAME=20210712_Palaemon_HP_F7_7_01_11085.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_HP_F8_8_01_11086 Organ:Hepatopancreas | sex:Female RAW_FILE_NAME=20210712_Palaemon_HP_F8_8_01_11086.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_HP_F9_9_01_11087 Organ:Hepatopancreas | sex:Female RAW_FILE_NAME=20210712_Palaemon_HP_F9_9_01_11087.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_HP_F10_10_01_11088 Organ:Hepatopancreas | sex:Female RAW_FILE_NAME=20210712_Palaemon_HP_F10_10_01_11088.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_HP_M1_11_01_11096 Organ:Hepatopancreas | sex:Male RAW_FILE_NAME=20210712_Palaemon_HP_M1_11_01_11096.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_HP_M2_12_01_11097 Organ:Hepatopancreas | sex:Male RAW_FILE_NAME=20210712_Palaemon_HP_M2_12_01_11097.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_HP_M3_13_01_11098 Organ:Hepatopancreas | sex:Male RAW_FILE_NAME=20210712_Palaemon_HP_M3_13_01_11098.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_HP_M4_14_01_11099 Organ:Hepatopancreas | sex:Male RAW_FILE_NAME=20210712_Palaemon_HP_M4_14_01_11099.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_HP_M5_15_01_11100 Organ:Hepatopancreas | sex:Male RAW_FILE_NAME=20210712_Palaemon_HP_M5_15_01_11100.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_HP_M6_16_01_11101 Organ:Hepatopancreas | sex:Male RAW_FILE_NAME=20210712_Palaemon_HP_M6_16_01_11101.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_HP_M7_17_01_11102 Organ:Hepatopancreas | sex:Male RAW_FILE_NAME=20210712_Palaemon_HP_M7_17_01_11102.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_HP_M8_18_01_11103 Organ:Hepatopancreas | sex:Male RAW_FILE_NAME=20210712_Palaemon_HP_M8_18_01_11103.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_HP_M9_19_01_11104 Organ:Hepatopancreas | sex:Male RAW_FILE_NAME=20210712_Palaemon_HP_M9_19_01_11104.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_HP_M10_20_01_11105 Organ:Hepatopancreas | sex:Male RAW_FILE_NAME=20210712_Palaemon_HP_M10_20_01_11105.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_muscle_F1_81_01_10999 Organ:Muscle | sex:Female RAW_FILE_NAME=20210712_Palaemon_muscle_F1_81_01_10999.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_muscle_F2_82_01_11000 Organ:Muscle | sex:Female RAW_FILE_NAME=20210712_Palaemon_muscle_F2_82_01_11000.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_muscle_F3_83_01_11001 Organ:Muscle | sex:Female RAW_FILE_NAME=20210712_Palaemon_muscle_F3_83_01_11001.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_muscle_F4_84_01_11002 Organ:Muscle | sex:Female RAW_FILE_NAME=20210712_Palaemon_muscle_F4_84_01_11002.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_muscle_F5_85_01_11003 Organ:Muscle | sex:Female RAW_FILE_NAME=20210712_Palaemon_muscle_F5_85_01_11003.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_muscle_F6_86_01_11004 Organ:Muscle | sex:Female RAW_FILE_NAME=20210712_Palaemon_muscle_F6_86_01_11004.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_muscle_F7_87_01_11005 Organ:Muscle | sex:Female RAW_FILE_NAME=20210712_Palaemon_muscle_F7_87_01_11005.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_muscle_F8_88_01_11006 Organ:Muscle | sex:Female RAW_FILE_NAME=20210712_Palaemon_muscle_F8_88_01_11006.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_muscle_F9_89_01_11007 Organ:Muscle | sex:Female RAW_FILE_NAME=20210712_Palaemon_muscle_F9_89_01_11007.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_muscle_F10_90_01_11008 Organ:Muscle | sex:Female RAW_FILE_NAME=20210712_Palaemon_muscle_F10_90_01_11008.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_muscle_M1_91_01_11019 Organ:Muscle | sex:Male RAW_FILE_NAME=20210712_Palaemon_muscle_M1_91_01_11019.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_muscle_M2_92_01_11020 Organ:Muscle | sex:Male RAW_FILE_NAME=20210712_Palaemon_muscle_M2_92_01_11020.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_muscle_M3_93_01_11021 Organ:Muscle | sex:Male RAW_FILE_NAME=20210712_Palaemon_muscle_M3_93_01_11021.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_muscle_M4_94_01_11022 Organ:Muscle | sex:Male RAW_FILE_NAME=20210712_Palaemon_muscle_M4_94_01_11022.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_muscle_M5_95_01_11023 Organ:Muscle | sex:Male RAW_FILE_NAME=20210712_Palaemon_muscle_M5_95_01_11023.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_muscle_M6_96_01_11024 Organ:Muscle | sex:Male RAW_FILE_NAME=20210712_Palaemon_muscle_M6_96_01_11024.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_muscle_M7_97_01_11025 Organ:Muscle | sex:Male RAW_FILE_NAME=20210712_Palaemon_muscle_M7_97_01_11025.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_muscle_M8_98_01_11026 Organ:Muscle | sex:Male RAW_FILE_NAME=20210712_Palaemon_muscle_M8_98_01_11026.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_muscle_M9_99_01_11027 Organ:Muscle | sex:Male RAW_FILE_NAME=20210712_Palaemon_muscle_M9_99_01_11027.mzXML
SUBJECT_SAMPLE_FACTORS - 20210712_Palaemon_muscle_M10_100_01_11028 Organ:Muscle | sex:Male RAW_FILE_NAME=20210712_Palaemon_muscle_M10_100_01_11028.mzXML
#COLLECTION
CO:COLLECTION_SUMMARY Specimens of Palaemon serratus were collected by a professional fisherman
CO:COLLECTION_SUMMARY (DYFLO) in February 2021, using special traps in the 2-nautical mile zone of the
CO:COLLECTION_SUMMARY Cap of La Hève (Le Havre, Normandy, France). The collected prawns were returned
CO:COLLECTION_SUMMARY to the laboratory within a maximum of 1 h, using 30 L-polypropylene tanks filled
CO:COLLECTION_SUMMARY with artificial sea water (ASW; salinity of 33‰ from dissolution of TETRA
CO:COLLECTION_SUMMARY SEA® salt, which is commonly used in maintenance of marine aquarium), in
CO:COLLECTION_SUMMARY oxygenated conditions (Rollin et al., 2021). The prawns were transferred and
CO:COLLECTION_SUMMARY kept into 80 L-aquariums that were connected to an ASW supply, and under
CO:COLLECTION_SUMMARY constant aeration and filtration. Then, 10 mature males and gravid females (i.e.
CO:COLLECTION_SUMMARY ovarian stage 4) of homogenous size (i.e. 8.5 ± 0.9 cm total length) and
CO:COLLECTION_SUMMARY homogenous moult stage (i.e. D1’-D1’’) were anesthetized on ice and
CO:COLLECTION_SUMMARY dissected. The gills, the nervous gland (i.e. eyestalks medulla and supra
CO:COLLECTION_SUMMARY oesophageal ganglia), the muscle, the hepatopancreas and the gonads were
CO:COLLECTION_SUMMARY weighted, individually frozen in liquid nitrogen and stored at -20°C.
CO:SAMPLE_TYPE Shrimp organs
CO:COLLECTION_METHOD Fishing net
CO:COLLECTION_LOCATION Le Havre, France
CO:STORAGE_CONDITIONS -20℃
CO:STORAGE_VIALS eppendorfs
#TREATMENT
TR:TREATMENT_SUMMARY no treatment was applied. Individuals were anaesthetized and organs were
TR:TREATMENT_SUMMARY collected, frozen and kept at -20°C prior to metabolite extraction.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY Metabolites were extracted from wet tissues with 75%-25% UHPLC methanol-water
SP:SAMPLEPREP_SUMMARY (with a ratio of 1 ml for 100 mg of fresh tissues), grinded mechanically (GLH850
SP:SAMPLEPREP_SUMMARY OMNI) and sonicated with an ultrasonic probe (SONICS VibraCell, 130 Watt, 20
SP:SAMPLEPREP_SUMMARY Khz, 60% amplitude) for 30 sec, twice. Samples were then centrifuged at 15,000 g
SP:SAMPLEPREP_SUMMARY for 10 min at 4°C and the supernatant collected and store at -20°C until mass
SP:SAMPLEPREP_SUMMARY spectrometry analysis.
SP:PROCESSING_STORAGE_CONDITIONS -20℃
SP:EXTRACT_STORAGE -20℃
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY The metabolites were analysed by injection of 2 µL of the supernatants on an
CH:CHROMATOGRAPHY_SUMMARY UHPLC (ELUTE, Bruker) using a Polar Advances II 2.5 pore C18 column (Thermo,
CH:CHROMATOGRAPHY_SUMMARY Waltham, MA, USA) at a 300 µL·min−1 flow rate with a linear gradient of
CH:CHROMATOGRAPHY_SUMMARY acetonitrile in 0.1% formic acid (5%–90% in 16 min).
CH:CHROMATOGRAPHY_TYPE Reversed phase
CH:INSTRUMENT_NAME Bruker ELUTE UHPLC
CH:COLUMN_NAME Thermo Acclaim Polar Advantage II (150 x 3mm,3um)
CH:SOLVENT_A 100% water
CH:SOLVENT_B 100% acetonitrile
CH:FLOW_GRADIENT 5-90%
CH:FLOW_RATE 0.3 mL/min
CH:COLUMN_TEMPERATURE 40
#ANALYSIS
AN:ANALYSIS_TYPE MS
#MS
MS:INSTRUMENT_NAME Bruker Compact
MS:INSTRUMENT_TYPE QTOF
MS:MS_TYPE ESI
MS:ION_MODE POSITIVE
MS:MS_COMMENTS Metabolites were subsequently ionised and analysed using an electrospray
MS:MS_COMMENTS ionization hybrid quadrupole time-of-flight high-resolution mass spectrometer
MS:MS_COMMENTS (ESI-Qq-TOF Compact, Bruker) at 2 Hz speed on the 50–1500 m/z range on
MS:MS_COMMENTS positive autoMS/MS mode between 2 and 8 Hz speed on the 50–1500 m/z range with
MS:MS_COMMENTS information-dependent acquisition (IDA).
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS counts
MS_METABOLITE_DATA_START
Samples 20210712_Palaemon_Branchie_F10_70_01_10973 20210712_Palaemon_Branchie_F1_61_01_10964 20210712_Palaemon_Branchie_F2_62_01_10965 20210712_Palaemon_Branchie_F3_63_01_10966 20210712_Palaemon_Branchie_F4_64_01_10967 20210712_Palaemon_Branchie_F5_65_01_10968 20210712_Palaemon_Branchie_F6_66_01_10969 20210712_Palaemon_Branchie_F7_67_01_10970 20210712_Palaemon_Branchie_F8_68_01_10971 20210712_Palaemon_Branchie_F9_69_01_10972 20210712_Palaemon_Branchie_M10_80_01_10988 20210712_Palaemon_Branchie_M1_71_01_10979 20210712_Palaemon_Branchie_M2_72_01_10980 20210712_Palaemon_Branchie_M3_73_01_10981 20210712_Palaemon_Branchie_M4_74_01_10982 20210712_Palaemon_Branchie_M5_75_01_10983 20210712_Palaemon_Branchie_M6_76_01_10984 20210712_Palaemon_Branchie_M7_77_01_10985 20210712_Palaemon_Branchie_M8_78_01_10986 20210712_Palaemon_Branchie_M9_79_01_10987 20210712_Palaemon_GlandeNerveuse_F10_30_01_11048 20210712_Palaemon_GlandeNerveuse_F1_21_01_11039 20210712_Palaemon_GlandeNerveuse_F2_22_01_11040 20210712_Palaemon_GlandeNerveuse_F3_23_01_11041 20210712_Palaemon_GlandeNerveuse_F4_24_01_11042 20210712_Palaemon_GlandeNerveuse_F5_25_01_11043 20210712_Palaemon_GlandeNerveuse_F6_26_01_11044 20210712_Palaemon_GlandeNerveuse_F7_27_01_11045 20210712_Palaemon_GlandeNerveuse_F8_28_01_11046 20210712_Palaemon_GlandeNerveuse_F9_29_01_11047 20210712_Palaemon_GlandeNerveuse_M10_40_01_11068 20210712_Palaemon_GlandeNerveuse_M1_31_01_11059 20210712_Palaemon_GlandeNerveuse_M2_32_01_11060 20210712_Palaemon_GlandeNerveuse_M3_33_01_11061 20210712_Palaemon_GlandeNerveuse_M4_34_01_11062 20210712_Palaemon_GlandeNerveuse_M5_35_01_11063 20210712_Palaemon_GlandeNerveuse_M6_36_01_11064 20210712_Palaemon_GlandeNerveuse_M7_37_01_11065 20210712_Palaemon_GlandeNerveuse_M8_38_01_11066 20210712_Palaemon_GlandeNerveuse_M9_39_01_11067 20210712_Palaemon_Gonad_F10_50_01_10933 20210712_Palaemon_Gonad_F1_41_01_10924 20210712_Palaemon_Gonad_F2_42_01_10925 20210712_Palaemon_Gonad_F3_43_01_10926 20210712_Palaemon_Gonad_F4_44_01_10927 20210712_Palaemon_Gonad_F5_45_01_10928 20210712_Palaemon_Gonad_F6_46_01_10929 20210712_Palaemon_Gonad_F7_47_01_10930 20210712_Palaemon_Gonad_F8_48_01_10931 20210712_Palaemon_Gonad_F9_49_01_10932 20210712_Palaemon_Gonad_M10_60_01_10953 20210712_Palaemon_Gonad_M1_51_01_10944 20210712_Palaemon_Gonad_M2_52_01_10945 20210712_Palaemon_Gonad_M3_53_01_10946 20210712_Palaemon_Gonad_M4_54_01_10947 20210712_Palaemon_Gonad_M5_55_01_10948 20210712_Palaemon_Gonad_M6_56_01_10949 20210712_Palaemon_Gonad_M7_57_01_10950 20210712_Palaemon_Gonad_M8_58_01_10951 20210712_Palaemon_Gonad_M9_59_01_10952 20210712_Palaemon_HP_F10_10_01_11088 20210712_Palaemon_HP_F1_1_01_11079 20210712_Palaemon_HP_F2_2_01_11080 20210712_Palaemon_HP_F3_3_01_11081 20210712_Palaemon_HP_F4_4_01_11082 20210712_Palaemon_HP_F5_5_01_11083 20210712_Palaemon_HP_F6_6_01_11084 20210712_Palaemon_HP_F7_7_01_11085 20210712_Palaemon_HP_F8_8_01_11086 20210712_Palaemon_HP_F9_9_01_11087 20210712_Palaemon_HP_M10_20_01_11105 20210712_Palaemon_HP_M1_11_01_11096 20210712_Palaemon_HP_M2_12_01_11097 20210712_Palaemon_HP_M3_13_01_11098 20210712_Palaemon_HP_M4_14_01_11099 20210712_Palaemon_HP_M5_15_01_11100 20210712_Palaemon_HP_M6_16_01_11101 20210712_Palaemon_HP_M7_17_01_11102 20210712_Palaemon_HP_M8_18_01_11103 20210712_Palaemon_HP_M9_19_01_11104 20210712_Palaemon_muscle_F10_90_01_11008 20210712_Palaemon_muscle_F1_81_01_10999 20210712_Palaemon_muscle_F2_82_01_11000 20210712_Palaemon_muscle_F3_83_01_11001 20210712_Palaemon_muscle_F4_84_01_11002 20210712_Palaemon_muscle_F5_85_01_11003 20210712_Palaemon_muscle_F6_86_01_11004 20210712_Palaemon_muscle_F7_87_01_11005 20210712_Palaemon_muscle_F8_88_01_11006 20210712_Palaemon_muscle_F9_89_01_11007 20210712_Palaemon_muscle_M10_100_01_11028 20210712_Palaemon_muscle_M1_91_01_11019 20210712_Palaemon_muscle_M2_92_01_11020 20210712_Palaemon_muscle_M3_93_01_11021 20210712_Palaemon_muscle_M4_94_01_11022 20210712_Palaemon_muscle_M5_95_01_11023 20210712_Palaemon_muscle_M6_96_01_11024 20210712_Palaemon_muscle_M7_97_01_11025 20210712_Palaemon_muscle_M8_98_01_11026 20210712_Palaemon_muscle_M9_99_01_11027
Factors Organ:Gills | sex:Female Organ:Gills | sex:Female Organ:Gills | sex:Female Organ:Gills | sex:Female Organ:Gills | sex:Female Organ:Gills | sex:Female Organ:Gills | sex:Female Organ:Gills | sex:Female Organ:Gills | sex:Female Organ:Gills | sex:Female Organ:Gills | sex:Male Organ:Gills | sex:Male Organ:Gills | sex:Male Organ:Gills | sex:Male Organ:Gills | sex:Male Organ:Gills | sex:Male Organ:Gills | sex:Male Organ:Gills | sex:Male Organ:Gills | sex:Male Organ:Gills | sex:Male Organ:Nervous gland | sex:Female Organ:Nervous gland | sex:Female Organ:Nervous gland | sex:Female Organ:Nervous gland | sex:Female Organ:Nervous gland | sex:Female Organ:Nervous gland | sex:Female Organ:Nervous gland | sex:Female Organ:Nervous gland | sex:Female Organ:Nervous gland | sex:Female Organ:Nervous gland | sex:Female Organ:Nervous gland | sex:Male Organ:Nervous gland | sex:Male Organ:Nervous gland | sex:Male Organ:Nervous gland | sex:Male Organ:Nervous gland | sex:Male Organ:Nervous gland | sex:Male Organ:Nervous gland | sex:Male Organ:Nervous gland | sex:Male Organ:Nervous gland | sex:Male Organ:Nervous gland | sex:Male Organ:Gonads | sex:Female Organ:Gonads | sex:Female Organ:Gonads | sex:Female Organ:Gonads | sex:Female Organ:Gonads | sex:Female Organ:Gonads | sex:Female Organ:Gonads | sex:Female Organ:Gonads | sex:Female Organ:Gonads | sex:Female Organ:Gonads | sex:Female Organ:Gonads | sex:Male Organ:Gonads | sex:Male Organ:Gonads | sex:Male Organ:Gonads | sex:Male Organ:Gonads | sex:Male Organ:Gonads | sex:Male Organ:Gonads | sex:Male Organ:Gonads | sex:Male Organ:Gonads | sex:Male Organ:Gonads | sex:Male Organ:Hepatopancreas | sex:Female Organ:Hepatopancreas | sex:Female Organ:Hepatopancreas | sex:Female Organ:Hepatopancreas | sex:Female Organ:Hepatopancreas | sex:Female Organ:Hepatopancreas | sex:Female Organ:Hepatopancreas | sex:Female Organ:Hepatopancreas | sex:Female Organ:Hepatopancreas | sex:Female Organ:Hepatopancreas | sex:Female Organ:Hepatopancreas | sex:Male Organ:Hepatopancreas | sex:Male Organ:Hepatopancreas | sex:Male Organ:Hepatopancreas | sex:Male Organ:Hepatopancreas | sex:Male Organ:Hepatopancreas | sex:Male Organ:Hepatopancreas | sex:Male Organ:Hepatopancreas | sex:Male Organ:Hepatopancreas | sex:Male Organ:Hepatopancreas | sex:Male Organ:Muscle | sex:Female Organ:Muscle | sex:Female Organ:Muscle | sex:Female Organ:Muscle | sex:Female Organ:Muscle | sex:Female Organ:Muscle | sex:Female Organ:Muscle | sex:Female Organ:Muscle | sex:Female Organ:Muscle | sex:Female Organ:Muscle | sex:Female Organ:Muscle | sex:Male Organ:Muscle | sex:Male Organ:Muscle | sex:Male Organ:Muscle | sex:Male Organ:Muscle | sex:Male Organ:Muscle | sex:Male Organ:Muscle | sex:Male Organ:Muscle | sex:Male Organ:Muscle | sex:Male Organ:Muscle | sex:Male
kynurenine 5054 5388 4060 1904 5442 2430 3980 3584 1658 2308 1626 2316 4266 1966 3000 2222 3806 4416 3950 2386 80396 11372 22666 87646 28830 34094 42108 57186 31242 86120 44616 42320 32426 67038 40120 41840 64398 39500 123960 43624 32274 12400 57012 16294 99854 49436 40398 56052 124356 47890 2080 2906 3038 1168 3542 2116 3820 4546 4104 2042 672 1252 884 736 818 614 714 632 0 552 0 686 530 476 876 966 812 480 884 0 5988 3834 1348 1166 3080 1374 4530 1686 854 674 2144 662 2104 638 1348 2352 3262 4162 3406 6916
1-(1Z-octadecenyl)-sn-glycero-3-phosphocholine 0 0 0 0 0 0 0 0 0 0 0 0 0 1896 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1096 0 5384 4438 5482 3022 0 4902 3468 4882 0 3850 24902 12562 14342 6600 86306 59806 68150 14692 23210 18134 14954 5552 4790 3920 3526 6746 6176 8508 5448 5016 13816 11752 11562 13750 12690 10052 4432 7260 9306 12754 1542 0 0 0 0 3962 2298 0 0 0 2172 3152 1856 0 3130 0 0 1942 3272 2466
1-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine 12542 10684 12796 10756 16812 14146 19590 10170 14806 15032 13014 12886 9480 7472 12536 13330 10720 8628 11634 8752 20706 22612 25434 17754 19702 17204 20356 12488 18270 19890 15710 22662 19978 17052 18388 16100 12640 19074 18714 17542 0 0 0 0 0 22886 0 0 0 0 174094 206300 112950 124480 216914 206512 209438 243644 143928 127380 89878 14394 26654 18432 24048 26596 0 30224 42930 22688 36726 66272 18488 23898 0 0 25014 27706 0 41404 5418 6076 4072 5102 3336 14642 5958 6264 7584 7940 6874 8724 3592 4412 6646 6640 3636 3970 9416 6452
1-Stearoyl-2-hydro-sn-glycero-3- phosphoethanolamine 18:0 8304 17004 18750 22874 11278 14728 15842 10084 11756 20986 11072 11770 6912 16122 10764 10258 10020 10506 14332 7426 13148 17128 16446 18516 13074 12012 17674 8504 13430 13710 14630 14254 18272 17120 19970 14594 12886 12112 13756 15342 24922 26856 0 26448 0 24540 18038 23476 32290 22192 165494 41146 37756 51082 556744 452484 337258 46332 132162 93662 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 7246 7022 10110 4438 0 0 0 0 7098 8022 0 10820 7654 14256 9766 8304 7184 13404 7540
2'-Deoxyadenosine 5'-monophosphate (dAMP) 38666 26852 28706 27020 48618 44228 25728 84690 55512 23852 31010 9242 12494 42042 15642 18464 14162 30908 35556 22032 394 770 0 622 752 10158 732 870 1712 1108 0 868 1480 332 2246 1322 702 3192 1594 892 49550 29672 58020 43704 59418 75710 82326 54612 44298 38954 7656 5514 7836 9962 16884 17426 9050 6674 8372 8354 7566 0 5406 5686 2122 4512 4328 9788 5632 7590 4904 4470 3444 9518 2786 15066 5924 8996 11320 11354 722 820 902 574 698 206 570 492 750 618 888 2534 618 190 1804 1848 2646 2392 1096 1900
2'-Deoxyguanosine 5'-phosphate 99730 60074 74370 57034 83266 67676 71126 102770 87154 67202 81998 48792 39034 60094 76330 91848 55480 55230 30476 40292 7600 8456 4526 7190 6566 15628 7232 7160 8794 9544 9824 8038 7500 7582 10530 8704 7908 9326 7708 7730 0 0 0 0 0 0 0 0 0 0 42184 35464 26082 31938 15708 17996 14642 22530 26034 27540 237994 147140 168310 237472 167436 165158 171792 212438 208290 223728 294576 204218 105980 164058 293982 305856 160082 189594 220894 320730 0 0 0 0 0 0 0 0 29060 0 0 0 0 25834 0 0 19510 0 0 0
3-(1,10-Phenanthrol-2-Yl)-L-Alanine 26968 52322 36050 22472 23532 26990 26102 31406 36580 38196 19852 28940 39618 44352 28580 30182 22098 18758 23328 51466 62534 15950 9948 111208 20068 155154 82160 16454 71482 68752 34888 44196 41706 54012 30560 76964 42460 56240 34906 33958 255654 438380 168420 499972 267714 144748 308338 144882 190394 52762 33256 198772 50314 52696 40196 52088 31784 52178 21080 22306 36586 37616 39182 53636 30102 42468 38824 62708 19956 41020 32146 42830 30548 17514 33310 39052 25448 0 13270 23156 24018 52316 54402 33116 35040 27114 45524 34680 22550 25742 53754 132082 20214 29802 58804 50636 25592 62880 19662 117618
4-(hydroxymethyl)-6-(octylamino)cyclohex-4-ene-1,2,3-triol 440 1046 1178 1006 776 806 756 2018 2188 1734 752 990 1000 886 1090 790 890 950 624 538 1848 2100 1256 2650 1498 1290 1578 2098 2966 3574 1124 976 964 940 1628 1484 1412 1162 1118 1156 2912 2804 1674 2692 1932 2852 2142 3722 7426 4878 18888 37958 44260 22198 72200 36884 75568 52304 17960 29634 2526 4886 4266 19292 2970 2388 3706 4292 16422 15296 5470 1538 892 898 8878 2576 3456 1862 1138 1330 990 638 416 1692 124 0 0 798 1076 870 1292 674 1076 872 478 444 378 530 1146 3094
4-[5-(hydroxymethyl)-8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol' 18448 40944 22698 29650 31242 16318 19524 34146 36814 18918 34220 27192 24722 22144 36426 31610 18550 27084 23684 24408 7520 5158 6054 4190 6560 5262 4472 5342 9668 11080 5166 18488 14306 7116 6264 7136 9368 15804 8896 10812 0 44924 8912 19240 68736 69258 5006 62530 135352 84366 10750 81516 43808 17990 7308 31034 27038 23918 17804 12362 109812 57656 58992 75878 152724 62728 20798 108164 107446 148308 110862 0 88258 116952 103558 45948 0 147820 100544 100182 1546 878 0 858 0 1188 696 976 676 0 1612 0 360 966 0 166 1066 840 948 760
4-{[(cyclohexylamino)carbonyl]amino}butanoic acid 66802 101344 76790 97668 110904 74160 79692 93756 119274 37306 95518 103880 79998 111590 117164 104690 84802 99946 104734 106324 16788 15794 17204 15558 16314 19112 12258 26542 41126 28074 10056 21110 25654 10754 17490 14204 16110 26344 27552 19696 26608 17348 0 23260 35126 26974 26284 22478 88532 43748 56750 212700 123620 61416 71278 131628 134744 117118 70352 66128 579184 204302 291718 328584 609784 283026 283092 409890 355370 479028 615044 456214 396736 454498 333106 332952 330200 530194 634992 598260 1912 1838 1198 2586 2942 2726 1716 2404 2476 2652 2296 1880 1478 3040 1698 1846 3326 1400 3388 2878
5'-Guanylic acid 21832 17762 16680 13960 19136 13634 19392 25270 22482 20334 22710 12428 10488 13502 18446 19492 12072 11976 8460 12240 1758 1280 862 1274 1436 1950 1450 1180 1620 1660 1952 1802 1484 1478 1702 1622 1440 1932 1922 1788 6716 3864 3680 4286 4444 4058 4260 4082 5654 6004 7202 4618 3246 4072 1926 2646 1868 3418 4444 2744 82262 31052 44152 61466 54016 49004 45194 95826 67462 69896 92870 57944 45624 57354 66728 75036 35614 46986 62528 97012 0 1130 0 718 302 546 0 770 1378 546 0 722 464 972 552 1062 984 578 0 492
6-Hydroxymelatonin 5292 20868 7488 9648 14280 6326 7948 15798 15330 1110 24680 12074 6486 6512 18618 16064 6450 17112 8046 7964 1422 1504 0 0 3382 0 0 2822 2774 0 2028 3808 0 0 2102 3490 3426 5654 3840 2298 0 29282 56456 0 0 0 49264 0 164642 0 190 20862 10274 2544 0 3374 2998 7242 0 0 130494 118320 97328 81958 164456 84312 15998 160998 147102 148110 122976 269914 157340 183338 157308 56180 159872 224822 172366 105172 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
Alanyltyrosine 2930 16192 4648 7558 6534 3020 4734 6370 8648 708 12048 0 3182 3394 8410 0 3928 12194 3642 2866 1246 1438 1156 0 1136 1096 660 766 3266 4190 638 1368 1282 612 1066 1480 1584 5902 2608 2286 315362 230518 279102 274496 308186 276246 238952 251702 562948 460638 3598 28320 11434 2916 1508 2566 3234 9992 2738 2816 153800 130816 108372 101310 244172 84434 27580 147006 202710 188442 137778 192540 111604 181112 144120 46640 145340 209034 129708 100878 460 1054 184 408 546 684 558 534 508 442 432 670 0 0 318 0 0 296 378 290
Cyclic guanosine monophosphate 18270 34690 25988 18708 14054 18364 12168 18584 24922 15436 14800 16730 21638 21484 20338 16566 10998 9922 18010 15288 5618 4452 3592 3662 3872 12344 2602 3072 13204 14120 3388 6368 9748 4690 6930 2926 2746 4418 5448 3890 0 276 0 0 0 0 0 0 242 0 2358 9524 1584 2296 2230 2778 892 1706 4170 1690 53144 25956 35008 61310 51406 32414 15212 68830 30612 38456 36398 63980 29036 37058 37614 43094 22446 20890 42452 20938 2348 7550 5964 4906 3586 1578 2658 2930 3596 3178 4830 3456 7092 2794 2362 4416 7994 4890 2194 6748
D-Fructose 1-phosphate 0 0 10006 0 8710 0 0 10498 0 0 8218 0 0 0 0 0 0 7788 0 0 0 0 0 12660 0 1478 1172 0 11296 13264 1818 1178 0 0 0 0 0 0 0 0 1622 4406 0 0 0 0 0 0 0 3518 23460 26082 32556 34142 17380 14786 12842 22724 25226 26502 4590 3990 4344 0 6956 7914 2652 5812 5138 5134 6452 4474 2526 2772 7672 9612 10240 3598 2890 0 14564 92490 39880 20156 32708 20376 8994 29254 26776 7664 13868 34862 6666 16978 32256 13542 0 42528 20088 8874
D-Mannose 1-phosphate 15552 16366 23704 22418 16370 20226 23224 23592 17088 28462 24470 18922 15898 14000 19214 20778 14956 20180 16562 11610 16604 32172 27906 15406 22928 11834 19084 15670 13792 13630 12786 15288 6600 10500 16268 13472 20144 21964 11094 17530 1928 1228 9902 7496 7074 5974 5246 6108 9132 2808 42692 47826 39260 43540 50596 37506 52152 51820 33290 35508 11950 10830 14406 7844 12820 19272 6676 12896 8296 10368 8654 8972 5900 7692 13558 9572 11690 5316 6402 7752 53568 115428 138834 74974 121536 135756 26322 87458 87968 24462 39642 95654 11270 64082 86306 38822 101878 132232 94882 22012
D-Phenylalanine 688 862 576 792 684 0 574 750 896 142 1406 522 254 668 878 794 348 986 812 668 106 152 72 100 106 80 138 174 100 180 76 176 152 122 176 48 206 168 0 132 4184 4126 2992 4088 3748 4394 3042 3756 6472 3862 88 882 498 132 84 0 382 0 390 218 5598 4360 7326 4526 8246 5948 3356 6046 8458 7194 7494 9464 5742 9622 7020 2572 7940 0 5136 5318 154 0 122 0 92 0 0 106 124 118 38 152 110 190 180 132 176 100 0 0
Decanedioic acid, 1-methyl 10-(1,2,2,6,6-pentamethyl-4-piperidinyl) ester 0 2584 418 1414 976 696 1076 1118 3890 2056 1024 772 1104 1004 1348 868 932 1224 314 684 2482 3366 3044 3524 2976 1966 2202 2132 4256 4630 1996 2176 1964 1752 2708 2422 2700 2052 2498 1770 4010 5458 3806 4816 2420 4888 3962 8678 17756 9816 24930 67174 38406 42254 169328 63306 129772 71322 25962 32386 656 11416 2590 5160 3044 0 0 2642 6360 5728 0 2840 0 2422 2602 2528 1962 0 672 992 1206 874 356 1594 196 458 128 1344 1634 1492 1714 850 696 582 742 818 470 444 1422 2052
Decanoylcarnitine 738 1434 878 1936 884 1142 1344 1598 3052 2042 1198 896 1534 502 1154 830 816 864 840 946 2780 5568 4276 3770 3594 2720 2512 2770 5364 5526 2120 1976 1540 2212 3560 2244 2744 2258 2812 2428 4488 4258 4090 5932 2504 4208 3452 6168 15018 7516 19180 66268 57230 34258 62402 36120 89512 74442 22764 27970 1000 5096 3522 9628 1634 2326 3232 2908 9292 9102 3380 1926 874 1772 4864 3572 2386 926 792 816 0 322 158 1138 0 0 246 0 1276 974 998 0 0 268 0 340 0 490 736 776
Glu-Phe 9598 20884 13586 6430 15442 12924 18424 11306 9394 7776 9592 7888 5802 12172 10572 7828 9906 8744 6458 5990 2424 5184 2302 1412 8670 2238 4144 2650 1774 1938 2554 2204 792 568 1322 1812 4570 3532 1390 550 0 1814 1460 764 2214 1680 1168 884 0 0 5830 4386 1532 1778 4206 4240 7976 15412 3148 1228 33172 10210 19588 12064 27222 37506 33190 27560 22290 57172 34190 33108 27594 31314 43162 32914 17510 23386 35420 28508 0 692 0 0 428 328 0 0 0 0 0 0 0 0 0 0 236 262 0 0
Glu-Val-Phe 648 1472 948 736 1830 664 810 714 1558 510 812 966 358 800 910 1092 528 1032 382 788 302 430 748 286 444 156 220 530 794 490 226 1010 470 466 712 972 616 618 252 274 0 0 5528 7062 0 0 6074 0 0 0 308 802 560 0 322 352 1056 1066 0 0 45402 21666 32162 22388 52748 40958 21388 37100 35170 45878 37970 44218 32662 46614 33198 16748 32692 37646 35742 35614 314 504 0 0 152 182 76 0 180 222 200 450 370 200 140 122 0 66 0 340
Glutamyl-leucine 24544 41120 29066 16922 37404 46648 50216 35434 33866 24780 38736 24142 19498 30950 33444 21280 28372 31568 30880 21868 0 9106 0 0 17492 7290 11894 7572 6792 5638 15684 5678 0 0 5780 6352 15660 9410 6616 0 0 0 0 0 0 0 0 0 0 0 37796 16642 6416 7808 20910 11998 22708 52770 17994 10582 0 0 0 0 0 0 0 0 0 0 0 0 0 0 138464 130176 0 0 0 96468 0 0 0 0 0 0 0 0 0 0 0 560 0 0 0 0 0 0 0 0
Gly-Phe 10012 14448 10816 10410 9384 5732 12112 15384 13052 4724 11772 5354 5242 5366 8706 9778 6978 11734 7720 8686 1372 2052 1542 168 1790 1008 1492 0 1848 2124 1860 2660 1750 1604 1752 2318 2416 3394 2716 2402 30758 24980 42178 39304 44058 39918 32020 34546 112420 64926 5310 18112 10542 4180 3138 6468 10440 10050 4966 5114 120446 70688 83520 81004 142502 76414 36476 116780 137850 124032 94902 95998 68040 82290 81548 50850 87890 109714 88596 83744 1574 1238 522 846 1212 1072 822 924 1076 852 1008 480 300 776 278 512 262 690 198 726
Glycerophospho-N-palmitoyl ethanolamine 4136 4236 3314 5580 7194 4984 5386 5808 5022 2542 5198 4564 3110 3262 5168 5544 3262 3106 3768 2758 176 0 0 0 0 422 384 0 0 0 228 0 210 0 448 330 384 492 322 410 0 302 488 622 412 344 756 406 690 734 8618 32010 26608 17680 19632 12864 35362 27624 10080 13508 4362 1216 1148 1160 2430 2152 1454 2920 972 0 1412 1472 930 830 1496 1278 832 2134 832 1596 0 0 0 0 240 0 0 0 0 0 174 0 286 256 0 176 202 314 0 0
Glycyl-L-leucine 21652 19572 39792 26658 26890 20860 23574 23762 22556 13322 25750 15854 16008 14782 17410 21694 19180 23174 18750 14688 1534 0 1966 0 2488 2030 1852 1418 4318 4398 2070 3938 3028 1558 2358 3524 3160 3550 5030 2440 4204 4768 4764 2584 4646 4518 5546 5312 0 5134 9694 16214 9290 6426 6876 11210 11784 11668 7700 7724 60800 30728 35618 40974 63724 27062 26778 64082 63884 49354 40670 52348 42952 0 43020 28444 39008 52518 58522 52378 1570 1156 824 1746 1342 1886 1096 1190 1148 1070 1166 0 0 1216 938 998 698 968 1472 1050
Guanosine 216180 300582 252974 282860 308134 282134 296448 325646 273948 309762 264632 271190 271108 242482 292340 252560 258274 256658 283008 270908 68848 32656 38898 62300 65926 93398 56852 52230 87820 81166 74446 70234 78872 75260 71956 82826 55790 64526 122046 63486 39508 48552 56610 64048 87070 44196 46320 48478 102670 49376 75790 153970 145592 121376 145946 96028 180154 137770 55342 71722 147198 112730 96718 123614 122932 43826 106538 70960 78710 183130 121416 173712 107950 54854 56278 40762 78600 64680 42128 21128 1360 2684 886 1718 1218 848 742 1604 916 1692 1004 514 1610 1188 970 1554 608 962 672 1060
Hexanoylcarnitine 630 1034 1140 2052 1196 1188 1624 2604 4782 3540 1316 1180 2216 980 1546 972 1544 1574 1066 928 2250 3944 3034 3706 2728 2536 3296 3904 5352 6252 2048 1994 2002 1790 2712 2696 2196 2712 1876 1744 2078 2274 1976 1946 2334 916 2968 2738 6476 2870 34672 59570 59520 54394 96508 42152 94284 112926 34918 73108 5398 8460 7046 26558 9516 5448 10404 7944 22224 31060 8934 4546 2330 2140 14420 6534 5628 3378 2976 3464 1304 2670 738 6542 636 664 662 2668 7636 1260 1778 1196 1460 1776 1516 1084 620 1264 2492 4150
Hydroxykynurenine 12020 6670 6576 5444 6510 4192 4784 2888 2250 3950 0 2690 2322 1252 2616 0 3034 0 1910 896 116650 119592 82070 209770 106448 84250 73686 87994 78844 111798 38464 61550 66394 67318 67090 85700 101872 65912 92124 62104 742828 394164 789090 225582 630942 603622 748350 683446 402514 252236 3324 20114 8490 5230 8190 9224 9998 12254 6168 6774 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 11090 7320 2642 0 0 0 3508 0 0 478 0 0 1548 0 0 3080 3298 3972 2646 4952
Ile-Leu 5810 18150 8564 7422 13050 4344 7758 9434 13108 864 19952 6890 4124 8008 11794 15948 5540 10782 6742 7034 1700 1242 1008 654 2454 546 1004 1318 1980 1794 1858 4624 886 1502 1188 3708 5130 5416 5268 3184 62392 59604 70534 62878 92216 77264 53362 61230 266214 100318 1598 51952 17604 1904 978 4020 2856 10684 1306 1560 155284 105860 103126 82782 133650 114778 33432 181964 214002 174420 172958 371296 166728 243530 224816 70628 255436 306032 177236 123218 416 688 570 518 240 434 440 478 438 430 896 394 0 0 402 394 226 0 186 278
Indole-3-acrylic acid 38136 47578 42208 36464 37222 29178 39090 38652 53542 28178 36810 23170 18706 23096 32636 31320 29022 26684 30034 20022 103746 96698 60528 64616 107960 56416 110844 103562 90202 72640 125078 72418 19258 21754 57188 65180 138212 78092 47704 23588 1903352 1432130 812530 1498402 1830288 1446966 2152764 1284568 1640220 1746266 80904 80368 34480 31280 70554 75538 81384 94924 53412 30196 327412 104420 136106 147006 328406 178944 115218 199764 193626 251032 293538 264782 192868 280818 183454 155916 174632 186582 291562 249304 20706 28052 9812 14160 12078 12454 9756 11970 10244 9304 9906 9556 7222 8346 6628 9202 8970 8800 12996 9450
Insosine 5 MP 218 0 958 0 0 0 0 0 0 0 0 330 288 358 0 0 0 180 0 124 16330 5860 9046 10902 7260 8702 8296 10762 12290 13972 15778 9128 13120 15028 17542 11606 13190 20504 13470 15882 53856 50302 56956 62518 60596 61740 62470 46466 54236 49798 100256 41182 37698 72718 94488 46044 46120 56850 58842 72162 123566 17134 10408 33276 160186 17168 8774 14226 3608 31414 5318 20000 57626 4722 16106 13968 3962 13866 7798 4466 518020 555782 404420 461976 349400 385528 428280 455052 400924 485082 388900 521108 332710 345478 472254 437256 379916 425380 310250 347830
L-D-(a-Aminoadipoyl)-L-Cysteinyl-D-Valine 0 0 0 0 0 0 0 0 0 0 246 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 10308 2004 3398 3586 9190 4210 1526 6798 6202 6438 7714 7980 5080 8310 4208 2698 4758 5384 6048 5694 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
L-Glutathione (reduced) 9178 3754 13484 21502 2394 968 998 0 2090 0 11912 1614 534 0 4068 4096 3898 3306 1818 928 0 1010 3586 3846 0 5778 4526 69836 2792 1364 590 710 0 95978 1606 652 648 1760 1538 468 137444 115934 153414 120536 127620 131370 106528 80956 158408 76068 0 14994 0 1392 0 0 0 0 0 33422 0 4342 0 0 0 0 0 0 0 0 0 0 0 0 0 15422 5052 3814 0 0 82402 145790 121350 115718 112870 118632 68862 138576 105054 96782 50386 95806 106612 74746 114206 149770 138746 109298 104866 90116
Lauroyl-Carnitine 1216 2068 1320 2300 1490 1984 1420 2512 4400 2282 1614 2908 2810 2438 2094 2226 3292 2440 1502 1898 10474 16100 14772 8708 11570 10848 7126 8156 9966 10868 8484 9816 7340 7642 10550 6486 8696 9264 8068 10564 4550 3506 2836 4710 2110 4440 3368 8690 21560 9856 34938 141786 103032 96228 197578 129086 223556 124744 47890 57960 1562 7170 5028 9774 4140 4014 5506 4516 9464 10868 5326 3410 2248 5852 5840 7848 3604 1812 1648 1234 1986 1330 546 1944 470 362 386 2150 2348 2406 2542 1226 1328 1474 1156 1148 626 740 1986 4012
Leu-Gly-Leu 1254 1846 1840 1052 1484 630 1386 1236 2532 252 2470 582 538 1464 2974 1596 526 1668 2158 1210 0 0 162 0 0 126 0 0 292 146 164 294 190 0 82 168 0 418 250 206 1224 1888 0 1402 0 1182 0 1230 0 1890 432 1340 354 426 326 220 416 876 384 330 57034 29888 61058 30824 33140 61754 29402 54970 57526 52680 74116 104998 81476 90632 68130 33214 78118 74044 63684 52098 0 128 0 0 260 0 0 154 0 0 108 0 58 0 0 0 48 0 0 0
Leu-Gly-Ile 1716 1780 1406 1286 1646 1378 1732 1506 3046 606 2534 1194 908 1326 2426 1786 880 2142 2274 1466 0 0 204 0 0 0 190 0 412 448 132 494 204 178 0 252 254 786 172 118 1930 0 0 0 3218 884 0 0 3448 0 0 1474 854 0 0 0 0 692 326 204 69354 27962 44594 39878 87432 51266 23980 63746 69010 72298 91826 103414 54580 84962 56360 33334 65526 76626 76076 62458 104 0 170 0 244 170 138 148 332 234 214 0 162 0 158 0 162 140 0 210
Leu-Leu 1540 2798 1734 1820 2148 1250 1614 2150 2468 614 1984 1168 874 1338 1704 1794 1138 1650 1272 1352 380 346 260 178 776 254 332 316 234 262 496 664 234 328 262 522 900 776 744 370 12934 11338 14352 21706 17712 14502 16168 19018 47000 27514 1682 8526 4292 1178 1018 1970 1868 3410 1522 1254 73478 25184 35664 37620 0 30276 6344 60662 80454 63004 67424 80154 39996 58740 51690 10566 72958 73826 40872 42614 112 182 0 0 254 0 0 0 0 174 0 166 0 0 0 0 0 0 0 272
Ile-Ile 8348 17876 9190 7600 12010 6406 9258 10158 15336 2084 17258 8382 5284 9404 12836 14294 7090 12060 9298 8930 2724 1420 1742 1168 2040 1910 1416 1748 3180 2662 2378 4378 3018 1560 2124 4758 3684 6882 6046 3204 168290 120804 0 131296 158314 160626 124956 0 355316 246916 2176 126634 69734 11226 1710 10220 3996 31116 5760 3558 252222 150066 148266 128698 364144 111362 37840 227038 298182 263194 298198 358294 172320 313408 244934 76598 296382 346066 263054 187256 1068 1516 876 328 1900 2114 390 0 988 238 0 608 70 236 78 228 168 252 284 150
Leu-Phe 6634 22754 9340 13274 11748 6144 11900 10704 13986 1766 23438 9930 4550 8328 17212 21990 9266 18708 8520 8810 2928 3286 2168 1588 3650 1028 1630 2120 3070 2770 2790 5670 1394 2358 2202 5526 7550 6626 5878 6582 64736 118546 152374 149266 84842 176838 129630 148706 240574 78904 23562 228002 110328 24826 6866 9614 43436 113140 22716 22716 390396 173934 202294 197528 271052 184770 69322 342276 410762 328690 324962 453898 233390 380780 291716 90192 429978 472036 283922 272350 1370 1458 872 724 1258 1486 1310 1602 1208 1250 978 1232 224 166 0 208 222 0 0 538
Ile-Phe 0 7674 3200 2494 5888 1288 3100 2248 4576 338 5680 2282 1280 3248 4364 5756 362 3972 2088 1586 0 934 246 148 954 434 0 162 0 0 400 1844 0 0 342 0 2652 0 1898 0 133382 0 0 0 190966 0 0 0 427394 175570 1948 29538 6400 0 0 0 4992 0 0 0 161038 102222 92566 0 123076 165014 43796 171572 0 217466 184018 291866 189350 277360 231758 64266 221692 246086 136120 123444 0 2222 486 232 1670 2724 1462 2652 1292 0 0 1716 556 0 126 398 330 0 0 0
Leu-Pro-Leu 1844 2296 1344 1832 1970 1016 1628 1720 2218 336 3544 1044 556 1522 2112 1484 916 1568 2092 1414 226 432 244 318 218 86 90 0 486 442 132 542 360 160 184 216 382 956 620 222 680 3172 0 0 1680 1290 1198 0 4656 0 1046 2156 1766 342 0 928 1088 744 304 478 164478 43300 68974 82408 205932 92438 44350 149982 118582 98024 155484 202158 106390 170800 88064 48034 81672 129146 152030 108030 328 272 46 294 250 0 112 246 290 156 336 274 264 0 258 0 116 150 302 370
Leu-Trp 5148 11006 5988 5994 9520 9480 4874 5694 10588 1524 9346 2876 2020 3982 0 5864 8328 7962 6270 3100 1922 924 1250 1090 1450 1238 1026 1390 1936 2336 1324 2170 2484 1176 1278 3010 1710 3848 3748 2128 24712 0 18288 25798 25054 25500 20588 26694 67604 35184 608 8936 3020 896 536 1510 798 1708 608 556 121656 76476 73988 61750 123054 64056 21098 131456 139042 150372 115174 178360 83914 118556 112590 38588 117406 186992 98070 85968 234 0 252 202 70 326 286 234 190 196 366 310 176 0 142 0 340 438 360 252
Leu-Val 18546 35546 12018 20084 32520 8198 15180 20796 32478 2700 46912 14284 7160 21826 28640 32138 8054 32580 12926 15856 2232 1810 1276 3118 5170 0 976 2570 2944 8092 2394 3244 1156 780 884 2340 5496 4234 3884 2304 85684 74946 99544 78142 99044 87052 93268 83378 186210 120832 2388 48026 12118 2284 1868 5206 4100 10012 3324 1816 382168 200904 178062 178504 312032 225256 68870 378432 483546 443838 413748 636980 379860 473426 374750 121464 488548 611110 390624 332572 536 578 306 244 432 114 290 414 476 324 848 794 104 262 524 488 310 310 286 0
Ile-Val 20288 47570 21172 20542 31414 15148 23450 32940 38918 4074 48166 19004 12376 21362 36828 33576 13260 0 23734 22246 6702 3276 3626 372 4726 3536 1856 4484 7346 0 4372 11098 7416 3722 3768 10638 6084 16332 14986 8026 320200 309614 0 0 0 393600 280702 0 0 445040 4114 157244 62144 10118 2980 12656 5188 33400 5784 5328 404112 324190 271806 203258 821152 208864 84768 401828 436214 462930 427536 802880 324466 538886 490526 172478 519352 636362 421484 280938 198 300 216 278 348 374 264 216 398 160 230 372 0 0 234 446 364 320 352 180
LPC 16:0 24370 34512 29154 33044 48918 24168 43432 26874 38862 20674 42002 37518 25360 18104 44078 38644 29824 21378 31346 25372 11018 16578 12636 14328 10080 11324 13666 9898 12590 11214 11712 15806 11802 12296 12446 15768 14466 13470 13554 13256 18600 13092 15722 18506 9410 13352 18008 24034 34060 31064 883910 1138486 604950 692026 465810 528980 900646 914902 772022 981666 116270 31114 46592 56196 30866 42444 32316 78226 85402 52596 145700 66236 34800 29436 87880 63776 12586 51606 24076 92980 6570 4984 4054 5504 4148 12188 7694 5562 6392 7948 9010 10110 3732 5426 6060 7104 3650 4368 8620 7880
LPC 16:1a 123164 142044 126104 174408 308686 127158 168576 290546 163116 68778 191074 177732 115670 73246 227292 150064 184474 115296 111284 75858 6340 5876 5194 7872 5812 4636 5082 4848 6342 4812 4174 5978 2832 4030 4800 13932 5820 5376 4632 3782 24998 22446 29166 48564 32922 25212 35120 50268 48162 59674 625378 677796 304162 572778 125972 158886 304286 885762 465304 391404 1235652 192408 343308 260450 540010 628388 287522 1000750 301920 174706 549340 575056 446912 765600 410492 310696 590748 422182 522244 651710 3184 7280 3626 4094 3500 6388 2818 12296 3524 2702 4318 4292 1620 3002 3712 3806 2800 2738 3846 2298
LPC 16:1b 0 0 0 0 0 0 0 0 0 20828 0 0 0 0 0 0 0 0 37702 25106 15814 11340 12230 16632 13004 12188 12608 10746 17806 13210 12414 15098 7788 10712 12786 0 13706 12898 12590 9864 36170 50768 39792 78822 0 33044 46700 50740 86672 62820 429550 322156 168650 364316 354910 279076 509872 509788 313434 259390 641588 146678 215678 259188 356972 0 245756 0 215562 129556 331382 335648 0 391210 239052 246950 0 0 295600 0 10770 20558 10054 13696 10716 24392 9836 0 12804 12750 12962 13444 5672 10696 11908 12604 8402 9106 13500 9398
LPC 17:0 1700 1906 2114 2712 2206 1496 2432 1830 1830 2312 3034 1650 854 4404 2086 1852 1554 1510 2098 1466 1712 1204 1516 1526 1022 0 1982 1304 1782 1678 1536 1558 1096 0 1632 1420 1516 1022 1466 1342 0 8166 7886 11134 4358 7690 9252 13466 14210 10094 36530 0 19648 35336 0 0 80950 0 36572 37558 19398 5654 9386 13922 6770 5940 7902 11742 14774 9530 17124 0 6392 10946 15140 9470 2390 4736 6144 7884 0 1128 1102 1406 892 2702 1794 1920 0 1222 2354 2114 0 1504 1934 0 1418 0 2710 2020
LPC 18:1 66222 70368 67998 70972 0 64030 0 71636 74278 68514 83418 98612 77470 48186 92004 88416 70500 0 88494 0 76268 70762 65162 66026 61972 55888 61406 41878 70316 60306 56122 83860 58048 47636 58554 75188 64052 67064 70102 54376 128470 170492 107040 148072 59668 115938 141950 143392 299232 204588 1573242 0 0 1051824 1708428 1736598 1977920 0 1333416 1229356 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 506096 0 0 0 0 19186 34658 15798 17392 13814 33670 21890 19378 25552 21050 23488 33556 13084 17842 19782 26792 17764 16530 30186 22656
LPC 18:2 14728 17944 12190 14832 21566 14060 17640 26056 16144 9594 38862 28944 21266 9392 20730 16732 18624 11394 17948 14686 1108 0 434 636 354 656 612 510 748 462 0 1094 0 600 0 1462 894 764 1150 634 6108 6724 7118 5604 2738 7180 5626 9436 6638 9510 199310 217202 109550 103068 49252 89654 173944 168546 122222 113302 222856 52048 63938 49858 65058 103474 53042 189410 71032 44786 326876 225154 160556 135434 102020 113550 176630 79062 148868 253164 706 1822 788 470 242 1260 1148 1344 714 418 1348 1364 960 628 1136 772 1160 242 1454 1144
LPC 18:3 6416 10012 6316 6538 11576 6622 7776 14078 6490 3970 19874 15272 9812 3222 11792 11772 16484 5692 8374 7192 478 688 378 520 278 0 528 572 0 0 470 294 0 0 730 400 438 570 0 406 2248 3128 2516 2242 2030 2674 2150 3424 2256 2756 56862 49234 22750 22844 10740 26352 49364 41560 33494 32324 79508 24448 28764 19454 25630 42180 20960 66312 23944 11328 114454 70824 57424 41136 41462 50350 79084 28500 55658 96414 1316 0 884 246 296 638 248 774 274 450 406 484 336 0 352 502 636 396 532 378
LPC 18:4 7082 11000 6880 7422 10618 7316 8286 11286 11090 2764 15192 7108 7472 3610 6170 11434 15130 4608 5712 4358 700 0 0 510 0 416 436 0 426 0 412 294 282 0 246 0 204 270 0 0 1302 1678 1846 2480 1024 1976 1830 1442 2134 2562 26434 25930 12846 12186 2568 9340 16796 25376 16412 11066 104352 20380 20892 17136 16256 40924 19494 61664 20614 6436 43064 25612 25190 27732 13866 35548 74496 12334 24502 34990 0 390 236 368 0 502 402 234 0 614 362 310 0 194 0 236 524 320 672 0
LPC 20:2 2080 2078 2264 2012 2822 1776 4410 1784 2454 1278 3614 3666 2110 1800 2220 2612 2074 1632 2292 1390 1292 706 434 650 338 644 836 606 752 0 744 566 0 482 474 616 366 786 632 556 0 644 0 694 0 1796 0 1878 1458 2510 67056 66868 37864 40552 19804 24894 41930 44208 42866 47870 45128 3656 9346 8374 5562 9718 9592 18334 16104 7350 39176 20836 15824 14900 9054 12834 0 11654 12032 30996 0 0 384 0 0 0 602 0 472 0 738 0 0 318 0 0 0 0 558 578
LPC 20:5 666640 594006 433562 544912 977188 406232 1084566 926612 741892 340464 1039324 739576 506172 244512 742086 741166 563262 408068 567106 427396 51882 38864 30920 41534 22734 28546 44034 29356 46432 32122 37828 51402 27050 33164 33060 48522 43822 42102 38942 30658 96850 180640 125112 182312 65692 120654 193318 115342 170542 165058 2597850 3580524 1935638 1796966 724106 1025066 1599694 3369710 2015740 1809746 3697056 912852 849290 854668 771908 1459614 1502492 2441470 1622392 647872 2412498 2621014 1559864 2544584 1793500 1549340 2625786 1563968 1743326 2123892 13570 24944 9668 10718 6092 20246 12200 10450 13026 11674 15580 15934 7224 10698 13590 15148 10934 9442 13662 11144
LPC 22:5a 10614 12834 15792 15206 22416 8824 28172 13980 16484 7210 15516 21140 11616 14422 20364 13182 10702 8648 14194 9722 698 796 416 1400 982 692 930 718 522 668 670 1104 372 314 534 0 1112 0 940 0 4996 4336 5870 6838 3580 4080 8656 6392 8876 8814 177902 239198 90846 127640 64422 76592 109534 162210 168794 120784 94510 20138 55240 34560 20928 43074 48642 76532 52386 20818 55622 71320 31788 64282 57322 33498 61602 39416 38820 49334 0 1194 772 616 560 582 460 576 578 0 516 1024 0 422 530 758 522 548 1038 826
LPC 22:5b 5494 4790 6300 6124 11206 4954 11052 8290 9730 3094 11764 10432 5274 8790 7668 6558 6990 4788 9382 6690 840 0 770 550 1046 596 1818 624 1584 0 822 1348 790 1136 606 1310 1056 1284 1178 904 2294 1994 2928 2792 1532 2340 2932 3522 4832 3880 118302 113042 43972 67210 32832 39694 77722 89850 101076 77252 85530 15604 31498 20740 16908 27270 0 64768 37666 21836 77616 51910 34368 41260 0 33444 69202 35680 39208 62892 0 0 348 540 246 0 574 0 452 0 788 848 272 522 272 504 594 0 846 962
LPC 22:6a 270650 242106 223300 225154 456544 199678 434594 309016 326930 146528 383308 396740 240266 273884 349414 303730 275388 216948 293486 194058 39706 44966 32318 57600 23860 23456 39328 23784 37526 25022 25300 46822 24616 46858 30364 41272 36028 39152 34732 26422 32258 34160 40816 45096 24410 30792 41968 39686 72946 58606 1809464 1665012 1098918 1184202 409742 736862 1237788 2052102 2020216 1455658 2527590 496058 709058 549382 495468 838658 916602 1623016 947506 497270 1597268 1789728 1043982 1438734 1044044 906552 2110628 1174790 1097564 1517410 7560 13130 6564 6620 5420 10708 8400 5896 8608 6234 9834 11280 2644 8072 9660 10476 6990 7058 11360 8778
LPC 22:6b 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 17466 15544 0 4356 12382 18136 0 0 0 1411350 839802 658210 802046 485686 653990 947350 1203664 1322724 1063254 0 0 0 0 0 0 773714 0 0 0 0 0 0 0 0 830392 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4880 0 0 0 0 0 0 0
LPC 467b 11944 11320 10068 0 15784 13500 15656 16138 16406 7094 18294 0 14502 9488 13162 15598 0 8850 12108 7392 4740 5224 4172 6886 3822 4688 5198 2954 5248 3764 3974 4844 3606 3670 3744 5150 4434 3992 4086 3392 11806 13070 7148 14846 6556 12348 10866 10808 20464 10444 150516 153964 121312 101414 139500 152328 208902 148232 93528 97208 90434 32280 29358 51094 52590 64828 23044 52740 44046 23460 62964 44098 19380 9928 29594 51272 0 33610 14416 32880 6876 6398 3586 5740 3678 13686 6272 4962 6466 4694 7506 9438 4892 4368 7284 6942 4764 5038 7028 4848
LPC 476a 53624 57848 44128 61066 85242 54224 76246 76290 76092 24650 81692 64202 52058 27040 60336 68998 51978 35716 42204 26740 2120 2302 1524 2790 1674 2000 2086 1554 2044 1774 1832 2072 1368 1384 1352 2026 1834 1630 1862 1722 8314 5428 5098 11178 4560 8024 9924 11492 18766 14854 366008 607874 319332 238278 102048 146426 302784 555954 230554 218780 210574 40568 40970 62426 57584 110516 46398 127294 79816 44886 113762 90350 45784 28816 50260 66474 17422 83902 23126 102626 1510 1782 962 1376 1190 2320 1312 1346 1344 1170 1504 1794 1200 894 1442 1412 1240 1060 1456 1240
LPC 507 19728 19834 17870 21188 34798 17346 23676 24274 19932 9700 23638 23236 15576 12966 31010 20478 16018 14460 17860 15752 3534 3442 4164 3396 3704 3300 3382 2832 3690 3586 3424 0 2716 2844 3238 2940 3656 3110 2876 3238 7722 7274 6740 8272 5992 0 7422 8112 9810 8892 118310 121362 55316 105722 32348 33720 49714 151732 89954 98008 156676 26358 41658 36272 45216 60424 44568 108428 41068 27362 73810 83874 56896 107716 66114 38830 63838 56992 63864 90222 3554 4362 3998 3672 3660 3958 0 3660 3518 3412 3460 0 3196 0 3182 3356 3124 2910 2998 2976
Methylamino-Phenylalanyl-Leucyl-Hydroxamic Acid 1250 1282 972 912 1342 362 1090 852 1532 210 1910 448 280 934 1838 1194 626 1242 1250 1140 0 132 162 142 180 0 0 124 378 0 0 222 0 0 0 284 152 344 240 206 1498 2902 1452 2056 2764 1604 1724 1538 3726 2430 0 728 0 254 0 0 576 526 0 0 24196 17904 37374 19808 6024 36442 16532 27704 36760 25172 33808 52566 39598 47580 38822 13452 44154 35136 21502 21876 0 448 164 0 150 0 0 0 0 134 228 0 98 0 0 302 238 180 0 0
N-Formyl-L-histidine 11738 10072 8808 9864 2384 6986 10342 5888 4324 3364 7226 7904 9924 7458 4640 9842 1344 8066 8458 6914 8694 19380 11976 9698 5810 15146 7470 9976 7266 5280 9754 10560 8076 12992 10518 11062 10830 14304 8278 15436 10996 19524 49636 11484 18956 28264 28942 20978 22306 10720 36372 23508 58640 40134 48648 56776 38594 30128 27926 41174 5464 5274 1948 4460 0 5298 2508 0 3364 2396 4336 4318 7016 5566 4006 5482 2478 4570 10076 5242 3286 3490 1686 3654 1522 2090 3196 2500 1992 1758 3092 2242 4986 3284 2320 3314 1334 3598 3400 4322
Nicotinamide adenine dinucleotide (NAD+) 1424 1728 0 1528 0 2484 1760 0 0 1826 0 1806 1454 0 1220 1338 2082 0 0 2186 2458 2324 1708 2586 1570 1854 2640 2104 2002 2842 3342 2190 3188 3076 3898 1932 2236 0 2334 1492 0 0 1796 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 28570 20084 23780 20112 22398 24278 24004 27052 14376 24296 18766 21792 27700 25758 22632 28072 26736 31146 31096 28050
Oxiglutatione 54046 130592 62182 138418 87804 48402 94834 81830 84270 113332 65966 101950 43390 72058 66234 79584 100816 67576 47322 88382 456316 610290 432936 319776 535114 510412 488828 438492 438182 363792 575680 636394 570296 632064 412166 566768 482330 435108 567624 556210 0 0 270 0 0 0 0 312 0 0 221452 93772 59516 220692 297490 265344 273164 153166 148220 227258 17572 22382 68130 20616 27288 38928 29482 31368 24618 13000 58990 45728 14074 16358 58598 87554 34408 17788 40638 17564 10462 26252 15496 11734 11470 12234 8258 15762 12562 20708 5118 7198 2088 15340 8286 12770 10328 0 15586 6982
Palmitoylcarnitine 2378 3660 2852 6718 3376 2548 4706 5724 17420 7552 4544 2968 3572 3524 4690 4968 3600 5200 3796 1734 27224 46174 43518 31478 29786 31620 25190 24226 42640 37260 22536 27254 23864 24708 26848 26536 23686 27936 19242 21236 42654 25662 28188 36142 13250 34872 25698 58574 107422 54804 92684 264442 182780 251584 585308 311152 442892 268328 129834 105340 2474 5366 4006 14972 2586 1422 3622 3004 11256 12402 5784 3352 3348 4388 5952 5670 1218 1226 2858 2016 15282 0 1620 11930 764 1448 1858 13000 15714 16138 25304 5578 9660 5282 6690 0 2214 2790 12522 32510
Phe-Ala 9884 19396 0 11100 14214 7178 12018 15592 18964 1534 0 6120 3924 9646 12976 11190 6518 14916 9736 10620 1264 1360 1262 0 522 668 1080 920 1588 1136 1272 1914 1260 1080 850 1706 2140 3808 2324 2070 115004 81552 105626 112652 124886 114634 109134 89240 210868 153114 1182 14532 5382 1730 1134 1954 1894 0 1434 1402 219652 194782 185700 159756 288914 143274 52386 261320 285768 273840 226958 342366 181338 273652 240922 71850 258162 308412 163082 167004 250 204 0 0 318 312 0 360 0 260 146 0 0 0 0 226 0 0 0 188
Phe-Glu 12540 33140 14438 15022 19464 14498 15276 23668 22124 7910 22352 16010 13826 14286 18378 16040 15418 20346 22560 18646 1804 2552 1904 1266 6224 1260 1212 0 1502 2094 1858 2470 2284 1398 1942 3064 3692 4030 3380 2890 28178 39514 60774 58996 94318 68420 43960 75368 266442 75760 10674 62194 30870 16578 3454 0 19400 30608 0 10702 196864 57212 72756 84852 187334 93696 33872 106064 154014 159738 128496 187640 106848 156224 80314 31222 104682 132622 171786 117136 1142 984 0 820 0 404 0 1162 628 828 0 0 530 944 0 1062 0 0 480 958
Phe-Pro 2894 9510 5952 8144 7730 5430 7690 6180 11786 1066 3956 6158 3734 8972 6574 6142 5718 6934 5870 5836 0 0 0 1200 0 458 0 800 1142 300 0 1148 740 816 570 636 772 0 848 522 1120 0 1332 1150 1874 818 1796 0 2582 1576 314 2014 0 0 786 0 0 1974 0 1082 123628 27516 30030 48962 147964 50004 29438 71962 71822 30538 65566 63466 36254 93892 17074 22900 30050 37288 73474 23566 320 0 328 1078 866 534 216 780 0 266 0 638 358 828 360 410 0 166 740 774
Phe-Trp 594 2060 1078 1352 942 556 884 910 762 316 1074 616 542 798 1188 1236 634 982 790 856 1238 798 1200 954 1248 874 960 770 1176 1664 938 2202 920 960 1138 1400 1944 1932 1996 1958 23126 9688 16768 18518 22394 20274 16530 21176 52498 39156 606 3824 2334 750 604 1134 1920 2756 654 934 24888 11340 25084 16292 24870 18418 7746 23968 29612 35394 25710 29610 18094 33858 20874 6952 26122 37778 15492 18410 592 684 422 234 396 368 392 572 486 458 174 304 0 0 302 0 214 238 210 350
Riboflavin Vitamin B2 13132 10652 8418 9146 11896 11518 11392 16746 11786 12908 14492 8700 13796 14270 11438 9888 9276 10376 13170 14836 6032 3982 3916 10428 8664 8562 8796 4494 10640 6500 6542 7252 4960 4914 4516 3890 3774 3442 3994 3380 135308 132644 116060 117612 105446 125522 161920 109246 119082 104654 2428 8942 4094 3120 1502 3374 1560 3158 2342 1766 55942 28978 23432 30124 38874 12188 35678 40872 14108 34818 49022 45734 37126 46114 34948 43600 35016 57802 36410 33512 2318 3596 1798 3344 3212 2872 3704 2948 2826 2376 636 294 580 806 470 634 524 384 662 834
S-Adenosylhomocysteine 2304 2798 2592 2488 2546 3186 1722 3528 2516 2514 3848 2994 3230 2516 3874 2762 2822 2380 3518 3356 1934 2542 2182 1344 1780 2906 1738 2152 2508 1954 2724 2874 2312 2202 2568 2490 1914 2582 3116 2038 1748 1260 2152 836 1970 1182 1264 962 1920 1772 3816 3200 4058 3200 3986 2666 2732 3442 2236 2870 14684 24106 23536 23786 13950 9978 24750 10748 18898 12122 13922 21294 22198 13732 21314 24772 29648 33156 20318 30484 874 3532 530 764 386 802 322 1262 582 416 1310 472 1206 842 2288 3560 1290 1416 538 828
Ser-Try 560 2212 1094 1512 1000 740 870 1012 1422 516 1720 978 704 654 1182 996 744 1554 1012 568 1170 904 924 1012 908 980 814 754 1206 1664 1068 1572 1666 1240 978 1556 1080 1384 1406 1426 44120 26768 40594 51982 48288 50766 49716 54648 120770 86366 530 4194 2900 788 700 1472 882 1658 942 888 17248 12656 10798 10744 30316 10406 2706 20694 20084 26110 16956 19570 11612 19350 14838 3978 15102 23890 12524 11128 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
Thr-Val-leu 534 618 442 180 368 266 582 426 762 0 806 206 230 410 608 182 258 708 650 426 0 0 0 0 0 52 0 0 0 0 0 0 0 0 56 0 0 178 56 0 1218 0 0 954 0 0 0 0 0 1256 0 0 0 0 0 0 0 0 0 0 24496 10844 18674 10888 27114 19318 10320 20590 16296 18196 26124 33846 23112 25744 22544 13826 21462 24234 27138 20924 78 0 0 0 170 138 0 0 96 0 252 120 0 200 138 0 240 194 0 210
Thr-Val-Ile 2312 1538 1424 918 1620 798 1622 986 1942 318 3594 1066 580 992 2440 1968 634 1600 1798 1102 152 274 286 0 448 0 160 0 0 252 0 272 218 0 198 230 228 1092 352 220 4046 7384 0 3602 2132 4302 4758 2334 3618 3850 0 718 458 0 0 0 336 734 428 166 48446 26790 47682 29836 68438 38288 27476 38414 34182 36002 49090 68350 55100 58338 55444 38384 50318 48084 50436 38744 390 430 276 246 248 334 312 332 64 328 0 0 294 276 256 488 320 412 368 270
Trp 51172 62548 58716 45280 51284 36370 55912 49898 64484 36318 48676 30814 24362 30320 41602 35638 37514 32734 37942 24502 134060 117300 73244 77994 127106 69302 127070 129460 103210 84174 145370 88928 22740 28678 64352 83892 151482 93790 60978 29226 2163794 1446412 817772 1477434 1790548 1451998 2235712 1340122 1681336 1874512 107440 101336 43046 42608 94294 104764 111004 121070 72458 38002 348420 127050 164658 170036 354462 198060 139552 236462 210620 279832 309616 287336 217674 296998 209470 183622 198962 212316 312194 282140 27558 38334 11950 16986 14308 15822 12456 16156 12152 12254 12828 12402 8062 10840 8444 12268 10844 11266 16924 11146
Trp-Met 0 1544 980 878 1420 0 760 1186 778 0 1276 682 346 0 956 1094 454 1476 970 620 258 172 0 0 230 0 260 408 304 550 316 414 308 0 0 808 592 740 574 364 20080 9436 9064 17422 18314 17038 13992 18032 51260 29232 202 2498 1524 608 268 584 536 0 362 326 10158 14514 16886 9608 12852 9806 5364 14810 16638 23372 10202 15382 11650 17396 15950 5174 13334 20962 7028 12422 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
Tyr-Leu 2404 5280 2762 3304 3314 1746 3260 3030 4578 1018 6220 2424 1188 2356 4468 3826 1918 3232 3100 2644 1260 912 888 372 198 488 742 764 1448 1308 1386 2224 958 830 1198 1760 1738 2788 1808 1930 0 0 0 0 784 0 670 582 0 0 2656 22188 13474 2242 1604 2536 0 13352 2172 2712 154980 54052 84168 72624 141416 81098 35050 106110 124986 137018 128016 145096 85546 137716 96038 37580 113728 148682 123740 112986 686 606 496 296 510 568 574 510 682 716 402 552 202 314 288 284 384 206 378 452
Tyr-Phe 0 1994 1140 2892 1028 634 748 582 852 0 1534 602 366 624 1010 1424 394 1090 342 586 0 400 518 210 400 84 138 0 0 0 172 448 0 256 0 138 462 640 422 0 12872 12688 16830 25376 25330 23970 0 23864 70768 41320 494 3012 806 456 426 0 1342 1590 0 0 22590 16778 13494 12528 39236 21744 6728 20262 15792 30952 24964 37956 22484 37274 28090 10448 21644 33672 31650 19902 296 486 182 0 262 376 246 170 416 268 388 252 0 0 0 0 0 48 0 0
Tyr-Pro 2714 6278 6030 6234 5964 4720 7132 4426 8154 0 3014 4632 3108 7012 3732 5048 4800 5622 4706 4544 630 884 536 0 0 3364 0 1066 808 0 0 738 364 1148 366 428 454 482 712 478 6350 3568 5494 4866 6350 4100 0 4338 3374 8836 494 1096 694 616 0 764 434 1804 428 0 58768 17186 0 24412 53922 23984 16114 35808 37426 13678 32352 30804 5048 46344 8494 10300 18354 20236 32182 0 0 0 0 342 334 150 0 442 352 0 0 330 300 380 0 184 442 212 258 330
Val-Trp 4890 13024 5354 7354 8268 3144 4548 6690 9348 1346 8962 3930 3848 4196 0 6864 3236 9674 6690 0 1358 676 694 934 840 888 518 852 1316 2432 948 1458 1680 700 872 1552 1040 2792 1786 1238 35728 18216 22294 34870 33566 36900 26402 41248 104468 48794 412 7784 3272 532 0 1042 606 1312 700 0 64590 49062 52344 37450 100224 39430 16366 81878 82330 97466 72886 121740 57862 85228 82040 23040 75576 126956 55190 46744 262 0 106 152 0 0 136 0 0 0 114 0 0 182 0 150 0 0 176 0
Val-Tyr 6428 16296 7218 8746 12706 4196 5174 8222 10494 1264 11424 4358 2402 7862 9678 9010 4796 14418 5654 5118 1170 878 1144 994 1590 802 858 1586 2514 1948 1332 1532 1592 678 1052 1454 1768 3556 1990 1774 45390 37630 40978 37510 48294 44000 38304 34618 0 30724 670 30134 9664 1568 844 2372 2560 7230 1020 872 80246 76432 72826 56486 113242 48878 19862 99472 129374 149504 95328 126114 79378 129430 108764 33500 102746 177528 78358 65374 198 136 0 132 94 0 0 318 0 154 0 0 0 0 128 118 0 0 0 0
Valeryl carnitine 5298 28944 11552 7030 13896 19022 9984 16172 8126 15724 7972 6276 13344 11912 12162 7890 13670 11612 8816 5678 9076 22066 13276 11202 9848 14774 11320 13400 10198 11366 9772 8234 10288 7808 10440 10364 11808 10820 8752 8160 21080 0 0 0 0 0 41162 0 0 19014 100316 95960 68900 88532 0 178172 0 188126 131258 0 16116 174762 46412 33514 115554 82960 55998 97292 27082 62678 27264 18918 31496 84368 31452 35540 35714 18744 24216 15878 1116 1886 1620 1770 1066 2120 1472 1188 1332 1056 2240 2628 986 974 1256 1112 1726 1354 2168 2174
Vitamin B5 8070 7158 3996 6924 6490 6182 6986 9564 5006 6156 6260 4430 10436 9962 4692 4472 6754 6934 4712 6786 13496 15096 11858 12008 16880 17542 14270 11244 11926 11276 15476 24460 21326 18958 9174 18916 20230 12764 24874 24290 150302 127114 60286 103318 89514 171120 120930 106384 53006 37828 59246 39134 70758 46842 36054 69952 62532 32878 70822 113930 57416 90724 74436 70530 79622 59076 111348 68800 49730 90532 74514 98780 102372 89286 70964 96072 71828 81196 58560 64974 3318 12666 2288 1492 1350 6698 3096 4892 698 1888 3598 9082 6320 4202 7226 5906 5704 3218 7088 3370
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name
kynurenine
1-(1Z-octadecenyl)-sn-glycero-3-phosphocholine
1-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine
1-Stearoyl-2-hydro-sn-glycero-3- phosphoethanolamine 18:0
2'-Deoxyadenosine 5'-monophosphate (dAMP)
2'-Deoxyguanosine 5'-phosphate
3-(1,10-Phenanthrol-2-Yl)-L-Alanine
4-(hydroxymethyl)-6-(octylamino)cyclohex-4-ene-1,2,3-triol
4-[5-(hydroxymethyl)-8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol'
4-{[(cyclohexylamino)carbonyl]amino}butanoic acid
5'-Guanylic acid
6-Hydroxymelatonin
Alanyltyrosine
Cyclic guanosine monophosphate
D-Fructose 1-phosphate
D-Mannose 1-phosphate
D-Phenylalanine
Decanedioic acid, 1-methyl 10-(1,2,2,6,6-pentamethyl-4-piperidinyl) ester
Decanoylcarnitine
Glu-Phe
Glu-Val-Phe
Glutamyl-leucine
Gly-Phe
Glycerophospho-N-palmitoyl ethanolamine
Glycyl-L-leucine
Guanosine
Hexanoylcarnitine
Hydroxykynurenine
Ile-Leu
Indole-3-acrylic acid
Insosine 5 MP
L-D-(a-Aminoadipoyl)-L-Cysteinyl-D-Valine
L-Glutathione (reduced)
Lauroyl-Carnitine
Leu-Gly-Leu
Leu-Gly-Ile
Leu-Leu
Ile-Ile
Leu-Phe
Ile-Phe
Leu-Pro-Leu
Leu-Trp
Leu-Val
Ile-Val
LPC 16:0
LPC 16:1a
LPC 16:1b
LPC 17:0
LPC 18:1
LPC 18:2
LPC 18:3
LPC 18:4
LPC 20:2
LPC 20:5
LPC 22:5a
LPC 22:5b
LPC 22:6a
LPC 22:6b
LPC 467b
LPC 476a
LPC 507
Methylamino-Phenylalanyl-Leucyl-Hydroxamic Acid
N-Formyl-L-histidine
Nicotinamide adenine dinucleotide (NAD+)
Oxiglutatione
Palmitoylcarnitine
Phe-Ala
Phe-Glu
Phe-Pro
Phe-Trp
Riboflavin Vitamin B2
S-Adenosylhomocysteine
Ser-Try
Thr-Val-leu
Thr-Val-Ile
Trp
Trp-Met
Tyr-Leu
Tyr-Phe
Tyr-Pro
Val-Trp
Val-Tyr
Valeryl carnitine
Vitamin B5
METABOLITES_END
#END