#METABOLOMICS WORKBENCH hjyoo2_20230330_221455 DATATRACK_ID:3829 STUDY_ID:ST002550 ANALYSIS_ID:AN004198 PROJECT_ID:PR001642 VERSION 1 CREATED_ON April 7, 2023, 3:26 pm #PROJECT PR:PROJECT_TITLE Targeted metabolomics for ARDS PR:PROJECT_SUMMARY Acute respiratory distress syndrome (ARDS) is a heterogeneous disease in its PR:PROJECT_SUMMARY etiology and clinical aspects, and it has been an important interest in how to PR:PROJECT_SUMMARY diagnose it and classify its subtypes, and apply them to treatment. Metabolomics PR:PROJECT_SUMMARY is becoming important for identifying ARDS biology and distinguishing subtypes. PR:PROJECT_SUMMARY The aim of this study is to identify metabolites distinguishing sepsis-induced PR:PROJECT_SUMMARY ARDS patients from healthy controls using a targeted metabolomics approach, and PR:PROJECT_SUMMARY to find out whether direct and indirect ARDS are metabolically distinct groups PR:PROJECT_SUMMARY and confirm their metabolites and associated pathways. Targeted metabolomics was PR:PROJECT_SUMMARY performed to explore metabolome changes between pARDS (pediatric ARDS) and PR:PROJECT_SUMMARY eARDS. PR:INSTITUTE Asan Medical Center PR:LAST_NAME Yoo PR:FIRST_NAME Hyun Ju PR:ADDRESS 88, Olympic-ro 43-gil, Songpa-gu PR:EMAIL yoohyunju@amc.seoul.kr PR:PHONE 0230104029 #STUDY ST:STUDY_TITLE Targeted metabolomics for ARDS ST:STUDY_SUMMARY Acute respiratory distress syndrome (ARDS) is a heterogeneous disease in its ST:STUDY_SUMMARY etiology and clinical aspects, and it has been an important interest in how to ST:STUDY_SUMMARY diagnose it and classify its subtypes, and apply them to treatment. Metabolomics ST:STUDY_SUMMARY is becoming important for identifying ARDS biology and distinguishing subtypes. ST:STUDY_SUMMARY The aim of this study is to identify metabolites distinguishing sepsis-induced ST:STUDY_SUMMARY ARDS patients from healthy controls using a targeted metabolomics approach, and ST:STUDY_SUMMARY to find out whether direct and indirect ARDS are metabolically distinct groups ST:STUDY_SUMMARY and confirm their metabolites and associated pathways. Targeted metabolomics was ST:STUDY_SUMMARY performed to explore metabolome changes between pARDS (pediatric ARDS) and ST:STUDY_SUMMARY eARDS. ST:INSTITUTE Asan Medical Center ST:LAST_NAME Yoo ST:FIRST_NAME Hyun Ju ST:ADDRESS 88, Olympic-ro 43-gil, Songpa-gu ST:EMAIL yoohyunju@amc.seoul.kr ST:PHONE 0230104029 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 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 D_Serum_1 D_Serum_1 Factor:Control Batch=1; RAW_FILE_NAME=20190802_PC,PE profiling_Human serum_set1_HJW-D_Normal serum_1_1_100.mzML 20190802_PLS_Human serum_Set1_HJW-D_Normal serum_1.mzML 20190801_Cer_SM_Human serum_set1_HJW-D_Normal serum_1_1_5.mzML SUBJECT_SAMPLE_FACTORS D_Serum_2 D_Serum_2 Factor:Control Batch=1; RAW_FILE_NAME=20190802_PC,PE profiling_Human serum_set1_HJW-D_Normal serum_2_1_100.mzML 20190802_PLS_Human serum_Set1_HJW-D_Normal serum_2.mzML 20190801_Cer_SM_Human serum_set1_HJW-D_Normal serum_2_1_5.mzML SUBJECT_SAMPLE_FACTORS D_Serum_3 D_Serum_3 Factor:Control Batch=1; RAW_FILE_NAME=20190802_PC,PE profiling_Human serum_set1_HJW-D_Normal serum_3_1_100.mzML 20190802_PLS_Human serum_Set1_HJW-D_Normal serum_3.mzML 20190801_Cer_SM_Human serum_set1_HJW-D_Normal serum_3_1_5.mzML SUBJECT_SAMPLE_FACTORS D_Serum_4 D_Serum_4 Factor:Control Batch=1; RAW_FILE_NAME=20190802_PC,PE profiling_Human serum_set1_HJW-D_Normal serum_4_1_100.mzML 20190802_PLS_Human serum_Set1_HJW-D_Normal serum_4.mzML 20190801_Cer_SM_Human serum_set1_HJW-D_Normal serum_4_1_5.mzML SUBJECT_SAMPLE_FACTORS D_Serum_5 D_Serum_5 Factor:Control Batch=1; RAW_FILE_NAME=20190802_PC,PE profiling_Human serum_set1_HJW-D_Normal serum_5_1_100.mzML 20190802_PLS_Human serum_Set1_HJW-D_Normal serum_5.mzML 20190801_Cer_SM_Human serum_set1_HJW-D_Normal serum_5_1_5.mzML SUBJECT_SAMPLE_FACTORS C_Serum_61 C_Serum_61 Factor:eARDS Batch=1; RAW_FILE_NAME=20190802_PC,PE profiling_Human serum_set1_HJW-C_Serum_61_1_100.mzML 20190802_PLS_Human serum_Set1_HJW-C_Serum_61.mzML 20190801_Cer_SM_Human serum_set1_HJW-C_Serum_61_1_5.mzML SUBJECT_SAMPLE_FACTORS C_Serum_62 C_Serum_62 Factor:eARDS Batch=1; RAW_FILE_NAME=20190802_PC,PE profiling_Human serum_set1_HJW-C_Serum_62_1_100.mzML 20190802_PLS_Human serum_Set1_HJW-C_Serum_62.mzML 20190801_Cer_SM_Human serum_set1_HJW-C_Serum_62_1_5.mzML SUBJECT_SAMPLE_FACTORS C_Serum_63 C_Serum_63 Factor:eARDS Batch=1; RAW_FILE_NAME=20190802_PC,PE profiling_Human serum_set1_HJW-C_Serum_63_1_100.mzML 20190802_PLS_Human serum_Set1_HJW-C_Serum_63.mzML 20190801_Cer_SM_Human serum_set1_HJW-C_Serum_63_1_5.mzML SUBJECT_SAMPLE_FACTORS C_Serum_64 C_Serum_64 Factor:eARDS Batch=1; RAW_FILE_NAME=20190802_PC,PE profiling_Human serum_set1_HJW-C_Serum_64_1_100.mzML 20190802_PLS_Human serum_Set1_HJW-C_Serum_64.mzML 20190801_Cer_SM_Human serum_set1_HJW-C_Serum_64_1_5.mzML SUBJECT_SAMPLE_FACTORS C_Serum_65 C_Serum_65 Factor:eARDS Batch=1; RAW_FILE_NAME=20190802_PC,PE profiling_Human serum_set1_HJW-C_Serum_65_1_100.mzML 20190802_PLS_Human serum_Set1_HJW-C_Serum_65.mzML 20190801_Cer_SM_Human serum_set1_HJW-C_Serum_65_1_5.mzML SUBJECT_SAMPLE_FACTORS B_Serum_31 B_Serum_31 Factor:pARDS Batch=1; RAW_FILE_NAME=20190802_PC,PE profiling_Human serum_set1_HJW-B_Serum_31_1_100.mzML 20190802_PLS_Human serum_Set1_HJW-B_Serum_31.mzML 20190801_Cer_SM_Human serum_set1_HJW-B_Serum_31_1_5.mzML SUBJECT_SAMPLE_FACTORS B_Serum_32 B_Serum_32 Factor:pARDS Batch=1; RAW_FILE_NAME=20190802_PC,PE profiling_Human serum_set1_HJW-B_Serum_32_1_100.mzML 20190802_PLS_Human serum_Set1_HJW-B_Serum_32.mzML 20190801_Cer_SM_Human serum_set1_HJW-B_Serum_32_1_5.mzML SUBJECT_SAMPLE_FACTORS B_Serum_33 B_Serum_33 Factor:pARDS Batch=1; RAW_FILE_NAME=20190802_PC,PE profiling_Human serum_set1_HJW-B_Serum_33_1_100.mzML 20190802_PLS_Human serum_Set1_HJW-B_Serum_33.mzML 20190801_Cer_SM_Human serum_set1_HJW-B_Serum_33_1_5.mzML SUBJECT_SAMPLE_FACTORS B_Serum_34 B_Serum_34 Factor:pARDS Batch=1; RAW_FILE_NAME=20190802_PC,PE profiling_Human serum_set1_HJW-B_Serum_34_1_100.mzML 20190802_PLS_Human serum_Set1_HJW-B_Serum_34.mzML 20190801_Cer_SM_Human serum_set1_HJW-B_Serum_34_1_5.mzML SUBJECT_SAMPLE_FACTORS B_Serum_35 B_Serum_35 Factor:pARDS Batch=1; RAW_FILE_NAME=20190802_PC,PE profiling_Human serum_set1_HJW-B_Serum_35_1_100.mzML 20190802_PLS_Human serum_Set1_HJW-B_Serum_35.mzML 20190801_Cer_SM_Human serum_set1_HJW-B_Serum_35_1_5.mzML SUBJECT_SAMPLE_FACTORS D_Serum_6 D_Serum_6 Factor:Control Batch=2; RAW_FILE_NAME=20190808_PC,PE profiling_Human serum_set2_HJW-D_Normal serum_6_1_100.mzML 20190808_PLS_Human serum_Set2_HJW-D_Normal serum_6.mzML 20190806_Cer_SM_Human serum_set2_HJW-D_Normal serum_6_1_5.mzML SUBJECT_SAMPLE_FACTORS D_Serum_7 D_Serum_7 Factor:Control Batch=2; RAW_FILE_NAME=20190808_PC,PE profiling_Human serum_set2_HJW-D_Normal serum_7_1_100.mzML 20190808_PLS_Human serum_Set2_HJW-D_Normal serum_7.mzML 20190806_Cer_SM_Human serum_set2_HJW-D_Normal serum_7_1_5.mzML SUBJECT_SAMPLE_FACTORS D_Serum_8 D_Serum_8 Factor:Control Batch=2; RAW_FILE_NAME=20190808_PC,PE profiling_Human serum_set2_HJW-D_Normal serum_8_1_100.mzML 20190808_PLS_Human serum_Set2_HJW-D_Normal serum_8.mzML 20190806_Cer_SM_Human serum_set2_HJW-D_Normal serum_8_1_5.mzML SUBJECT_SAMPLE_FACTORS D_Serum_9 D_Serum_9 Factor:Control Batch=2; RAW_FILE_NAME=20190808_PC,PE profiling_Human serum_set2_HJW-D_Normal serum_9_1_100.mzML 20190808_PLS_Human serum_Set2_HJW-D_Normal serum_9.mzML 20190806_Cer_SM_Human serum_set2_HJW-D_Normal serum_9_1_5.mzML SUBJECT_SAMPLE_FACTORS D_Serum_10 D_Serum_10 Factor:Control Batch=2; RAW_FILE_NAME=20190808_PC,PE profiling_Human serum_set2_HJW-D_Normal serum_10_1_100.mzML 20190808_PLS_Human serum_Set2_HJW-D_Normal serum_10.mzML 20190806_Cer_SM_Human serum_set2_HJW-D_Normal serum_10_1_5.mzML SUBJECT_SAMPLE_FACTORS C_Serum_66 C_Serum_66 Factor:eARDS Batch=2; RAW_FILE_NAME=20190808_PC,PE profiling_Human serum_set2_HJW-C_Serum_66_1_100.mzML 20190808_PLS_Human serum_Set2_HJW-C_Serum_66.mzML 20190806_Cer_SM_Human serum_set2_HJW-C_Serum_66_1_5.mzML SUBJECT_SAMPLE_FACTORS C_Serum_67 C_Serum_67 Factor:eARDS Batch=2; RAW_FILE_NAME=20190808_PC,PE profiling_Human serum_set2_HJW-C_Serum_67_1_100.mzML 20190808_PLS_Human serum_Set2_HJW-C_Serum_67.mzML 20190806_Cer_SM_Human serum_set2_HJW-C_Serum_67_1_5.mzML SUBJECT_SAMPLE_FACTORS C_Serum_68 C_Serum_68 Factor:eARDS Batch=2; RAW_FILE_NAME=20190808_PC,PE profiling_Human serum_set2_HJW-C_Serum_68_1_100.mzML 20190808_PLS_Human serum_Set2_HJW-C_Serum_68.mzML 20190806_Cer_SM_Human serum_set2_HJW-C_Serum_68_1_5.mzML SUBJECT_SAMPLE_FACTORS C_Serum_69 C_Serum_69 Factor:eARDS Batch=2; RAW_FILE_NAME=20190808_PC,PE profiling_Human serum_set2_HJW-C_Serum_69_1_100.mzML 20190808_PLS_Human serum_Set2_HJW-C_Serum_69.mzML 20190806_Cer_SM_Human serum_set2_HJW-C_Serum_69_1_5.mzML SUBJECT_SAMPLE_FACTORS C_Serum_70 C_Serum_70 Factor:eARDS Batch=2; RAW_FILE_NAME=20190808_PC,PE profiling_Human serum_set2_HJW-C_Serum_70_1_100.mzML 20190808_PLS_Human serum_Set2_HJW-C_Serum_70.mzML 20190806_Cer_SM_Human serum_set2_HJW-C_Serum_70_1_5.mzML SUBJECT_SAMPLE_FACTORS B_Serum_36 B_Serum_36 Factor:pARDS Batch=2; RAW_FILE_NAME=20190808_PC,PE profiling_Human serum_set2_HJW-B_Serum_36_1_100.mzML 20190808_PLS_Human serum_Set2_HJW-B_Serum_36.mzML 20190806_Cer_SM_Human serum_set2_HJW-B_Serum_36_1_5.mzML SUBJECT_SAMPLE_FACTORS B_Serum_37 B_Serum_37 Factor:pARDS Batch=2; RAW_FILE_NAME=20190808_PC,PE profiling_Human serum_set2_HJW-B_Serum_37_1_100.mzML 20190808_PLS_Human serum_Set2_HJW-B_Serum_37.mzML 20190806_Cer_SM_Human serum_set2_HJW-B_Serum_37_1_5.mzML SUBJECT_SAMPLE_FACTORS B_Serum_38 B_Serum_38 Factor:pARDS Batch=2; RAW_FILE_NAME=20190808_PC,PE profiling_Human serum_set2_HJW-B_Serum_38_1_100.mzML 20190808_PLS_Human serum_Set2_HJW-B_Serum_38.mzML 20190806_Cer_SM_Human serum_set2_HJW-B_Serum_38_1_5.mzML SUBJECT_SAMPLE_FACTORS B_Serum_39 B_Serum_39 Factor:pARDS Batch=2; RAW_FILE_NAME=20190808_PC,PE profiling_Human serum_set2_HJW-B_Serum_39_1_100.mzML 20190808_PLS_Human serum_Set2_HJW-B_Serum_39.mzML 20190806_Cer_SM_Human serum_set2_HJW-B_Serum_39_1_5.mzML SUBJECT_SAMPLE_FACTORS B_Serum_40 B_Serum_40 Factor:pARDS Batch=2; RAW_FILE_NAME=20190808_PC,PE profiling_Human serum_set2_HJW-B_Serum_40_1_100.mzML 20190808_PLS_Human serum_Set2_HJW-B_Serum_40.mzML 20190806_Cer_SM_Human serum_set2_HJW-B_Serum_40_1_5.mzML SUBJECT_SAMPLE_FACTORS D_Serum_11 D_Serum_11 Factor:Control Batch=3; RAW_FILE_NAME=20190813_PC,PE profiling_Human serum_set3_HJW-D_Normal serum_11_1_100.mzML 20191015_PLS_Human serum_Set3_HJW_real-D_Normal serum_11.mzML 20190812_Cer_SM_Human serum_set3_HJW-D_Normal serum_11_1_5.mzML SUBJECT_SAMPLE_FACTORS D_Serum_12 D_Serum_12 Factor:Control Batch=3; RAW_FILE_NAME=20190813_PC,PE profiling_Human serum_set3_HJW-D_Normal serum_12_1_100.mzML 20191015_PLS_Human serum_Set3_HJW_real-D_Normal serum_12.mzML 20190812_Cer_SM_Human serum_set3_HJW-D_Normal serum_12_1_5.mzML SUBJECT_SAMPLE_FACTORS D_Serum_13 D_Serum_13 Factor:Control Batch=3; RAW_FILE_NAME=20190813_PC,PE profiling_Human serum_set3_HJW-D_Normal serum_13_1_100.mzML 20191015_PLS_Human serum_Set3_HJW_real-D_Normal serum_13.mzML 20190812_Cer_SM_Human serum_set3_HJW-D_Normal serum_13_1_5.mzML SUBJECT_SAMPLE_FACTORS D_Serum_14 D_Serum_14 Factor:Control Batch=3; RAW_FILE_NAME=20190813_PC,PE profiling_Human serum_set3_HJW-D_Normal serum_14_1_100.mzML 20191015_PLS_Human serum_Set3_HJW_real-D_Normal serum_14.mzML 20190812_Cer_SM_Human serum_set3_HJW-D_Normal serum_14_1_5.mzML SUBJECT_SAMPLE_FACTORS D_Serum_15 D_Serum_15 Factor:Control Batch=3; RAW_FILE_NAME=20190813_PC,PE profiling_Human serum_set3_HJW-D_Normal serum_15_1_100.mzML 20191015_PLS_Human serum_Set3_HJW_real-D_Normal serum_15.mzML 20190812_Cer_SM_Human serum_set3_HJW-D_Normal serum_15_1_5.mzML SUBJECT_SAMPLE_FACTORS C_Serum_71 C_Serum_71 Factor:eARDS Batch=3; RAW_FILE_NAME=20190813_PC,PE profiling_Human serum_set3_HJW-C_Serum_71_1_100.mzML 20191015_PLS_Human serum_Set3_HJW_real-C_Serum_71.mzML 20190812_Cer_SM_Human serum_set3_HJW-C_Serum_71_1_5.mzML SUBJECT_SAMPLE_FACTORS C_Serum_72 C_Serum_72 Factor:eARDS Batch=3; RAW_FILE_NAME=20190813_PC,PE profiling_Human serum_set3_HJW-C_Serum_72_1_100.mzML 20191015_PLS_Human serum_Set3_HJW_real-C_Serum_72.mzML 20190812_Cer_SM_Human serum_set3_HJW-C_Serum_72_1_5.mzML SUBJECT_SAMPLE_FACTORS C_Serum_73 C_Serum_73 Factor:eARDS Batch=3; RAW_FILE_NAME=20190813_PC,PE profiling_Human serum_set3_HJW-C_Serum_73_1_100.mzML 20191015_PLS_Human serum_Set3_HJW_real-C_Serum_73.mzML 20190812_Cer_SM_Human serum_set3_HJW-C_Serum_73_1_5.mzML SUBJECT_SAMPLE_FACTORS C_Serum_74 C_Serum_74 Factor:eARDS Batch=3; RAW_FILE_NAME=20190813_PC,PE profiling_Human serum_set3_HJW-C_Serum_74_1_100.mzML 20191015_PLS_Human serum_Set3_HJW_real-C_Serum_74.mzML 20190812_Cer_SM_Human serum_set3_HJW-C_Serum_74_1_5.mzML SUBJECT_SAMPLE_FACTORS C_Serum_75 C_Serum_75 Factor:eARDS Batch=3; RAW_FILE_NAME=20190813_PC,PE profiling_Human serum_set3_HJW-C_Serum_75_1_100.mzML 20191015_PLS_Human serum_Set3_HJW_real-C_Serum_75.mzML 20190812_Cer_SM_Human serum_set3_HJW-C_Serum_75_1_5.mzML SUBJECT_SAMPLE_FACTORS B_Serum_41 B_Serum_41 Factor:pARDS Batch=3; RAW_FILE_NAME=20190813_PC,PE profiling_Human serum_set3_HJW-B_Serum_41_1_100.mzML 20191015_PLS_Human serum_Set3_HJW_real-B_Serum_41.mzML 20190812_Cer_SM_Human serum_set3_HJW-B_Serum_41_1_5.mzML SUBJECT_SAMPLE_FACTORS B_Serum_42 B_Serum_42 Factor:pARDS Batch=3; RAW_FILE_NAME=20190813_PC,PE profiling_Human serum_set3_HJW-B_Serum_42_1_100.mzML 20191015_PLS_Human serum_Set3_HJW_real-B_Serum_42.mzML 20190812_Cer_SM_Human serum_set3_HJW-B_Serum_42_1_5.mzML SUBJECT_SAMPLE_FACTORS B_Serum_43 B_Serum_43 Factor:pARDS Batch=3; RAW_FILE_NAME=20190813_PC,PE profiling_Human serum_set3_HJW-B_Serum_43_1_100.mzML 20191015_PLS_Human serum_Set3_HJW_real-B_Serum_43.mzML 20190812_Cer_SM_Human serum_set3_HJW-B_Serum_43_1_5.mzML SUBJECT_SAMPLE_FACTORS B_Serum_44 B_Serum_44 Factor:pARDS Batch=3; RAW_FILE_NAME=20190813_PC,PE profiling_Human serum_set3_HJW-B_Serum_44_1_100.mzML 20191015_PLS_Human serum_Set3_HJW_real-B_Serum_44.mzML 20190812_Cer_SM_Human serum_set3_HJW-B_Serum_44_1_5.mzML SUBJECT_SAMPLE_FACTORS B_Serum_45 B_Serum_45 Factor:pARDS Batch=3; RAW_FILE_NAME=20190813_PC,PE profiling_Human serum_set3_HJW-B_Serum_45_1_100.mzML 20191015_PLS_Human serum_Set3_HJW_real-B_Serum_45.mzML 20190812_Cer_SM_Human serum_set3_HJW-B_Serum_45_1_5.mzML SUBJECT_SAMPLE_FACTORS D_Serum_16 D_Serum_16 Factor:Control Batch=4; RAW_FILE_NAME=20191017_PC,PE profiling_Human serum_set4_HJW-D_Normal serum_16_1_100.mzML 20191018_PLS_Human serum_Set4_HJW-D_Normal serum_16.mzML 20191017_Cer_SM_Human serum_set4_HJW-D_Normal serum_16_1_5.mzML SUBJECT_SAMPLE_FACTORS D_Serum_17 D_Serum_17 Factor:Control Batch=4; RAW_FILE_NAME=20191017_PC,PE profiling_Human serum_set4_HJW-D_Normal serum_17_1_100.mzML 20191018_PLS_Human serum_Set4_HJW-D_Normal serum_17.mzML 20191017_Cer_SM_Human serum_set4_HJW-D_Normal serum_17_1_5.mzML SUBJECT_SAMPLE_FACTORS D_Serum_18 D_Serum_18 Factor:Control Batch=4; RAW_FILE_NAME=20191017_PC,PE profiling_Human serum_set4_HJW-D_Normal serum_18_1_100.mzML 20191018_PLS_Human serum_Set4_HJW-D_Normal serum_18.mzML 20191017_Cer_SM_Human serum_set4_HJW-D_Normal serum_18_1_5.mzML SUBJECT_SAMPLE_FACTORS D_Serum_19 D_Serum_19 Factor:Control Batch=4; RAW_FILE_NAME=20191017_PC,PE profiling_Human serum_set4_HJW-D_Normal serum_19_1_100.mzML 20191018_PLS_Human serum_Set4_HJW-D_Normal serum_19.mzML 20191017_Cer_SM_Human serum_set4_HJW-D_Normal serum_19_1_5.mzML SUBJECT_SAMPLE_FACTORS D_Serum_20 D_Serum_20 Factor:Control Batch=4; RAW_FILE_NAME=20191017_PC,PE profiling_Human serum_set4_HJW-D_Normal serum_20_1_100.mzML 20191018_PLS_Human serum_Set4_HJW-D_Normal serum_20.mzML 20191017_Cer_SM_Human serum_set4_HJW-D_Normal serum_20_1_5.mzML SUBJECT_SAMPLE_FACTORS C_Serum_76 C_Serum_76 Factor:eARDS Batch=4; RAW_FILE_NAME=20191017_PC,PE profiling_Human serum_set4_HJW-C_Serum_76_1_100.mzML 20191018_PLS_Human serum_Set4_HJW-C_Serum_76.mzML 20191017_Cer_SM_Human serum_set4_HJW-C_Serum_76_1_5.mzML SUBJECT_SAMPLE_FACTORS C_Serum_77 C_Serum_77 Factor:eARDS Batch=4; RAW_FILE_NAME=20191017_PC,PE profiling_Human serum_set4_HJW-C_Serum_77_1_100.mzML 20191018_PLS_Human serum_Set4_HJW-C_Serum_77.mzML 20191017_Cer_SM_Human serum_set4_HJW-C_Serum_77_1_5.mzML SUBJECT_SAMPLE_FACTORS C_Serum_78 C_Serum_78 Factor:eARDS Batch=4; RAW_FILE_NAME=20191017_PC,PE profiling_Human serum_set4_HJW-C_Serum_78_1_100.mzML 20191018_PLS_Human serum_Set4_HJW-C_Serum_78.mzML 20191017_Cer_SM_Human serum_set4_HJW-C_Serum_78_1_5.mzML SUBJECT_SAMPLE_FACTORS C_Serum_79 C_Serum_79 Factor:eARDS Batch=4; RAW_FILE_NAME=20191017_PC,PE profiling_Human serum_set4_HJW-C_Serum_79_1_100.mzML 20191018_PLS_Human serum_Set4_HJW-C_Serum_79.mzML 20191017_Cer_SM_Human serum_set4_HJW-C_Serum_79_1_5.mzML SUBJECT_SAMPLE_FACTORS C_Serum_80 C_Serum_80 Factor:eARDS Batch=4; RAW_FILE_NAME=20191017_PC,PE profiling_Human serum_set4_HJW-C_Serum_80_1_100.mzML 20191018_PLS_Human serum_Set4_HJW-C_Serum_80.mzML 20191017_Cer_SM_Human serum_set4_HJW-C_Serum_80_1_5.mzML SUBJECT_SAMPLE_FACTORS B_Serum_46 B_Serum_46 Factor:pARDS Batch=4; RAW_FILE_NAME=20191017_PC,PE profiling_Human serum_set4_HJW-B_Serum_46_1_100.mzML 20191018_PLS_Human serum_Set4_HJW-B_Serum_46.mzML 20191017_Cer_SM_Human serum_set4_HJW-B_Serum_46_1_5.mzML SUBJECT_SAMPLE_FACTORS B_Serum_47 B_Serum_47 Factor:pARDS Batch=4; RAW_FILE_NAME=20191017_PC,PE profiling_Human serum_set4_HJW-B_Serum_47_1_100.mzML 20191018_PLS_Human serum_Set4_HJW-B_Serum_47.mzML 20191017_Cer_SM_Human serum_set4_HJW-B_Serum_47_1_5.mzML SUBJECT_SAMPLE_FACTORS B_Serum_48 B_Serum_48 Factor:pARDS Batch=4; RAW_FILE_NAME=20191017_PC,PE profiling_Human serum_set4_HJW-B_Serum_48_1_100.mzML 20191018_PLS_Human serum_Set4_HJW-B_Serum_48.mzML 20191017_Cer_SM_Human serum_set4_HJW-B_Serum_48_1_5.mzML SUBJECT_SAMPLE_FACTORS B_Serum_49 B_Serum_49 Factor:pARDS Batch=4; RAW_FILE_NAME=20191017_PC,PE profiling_Human serum_set4_HJW-B_Serum_49_1_100.mzML 20191018_PLS_Human serum_Set4_HJW-B_Serum_49.mzML 20191017_Cer_SM_Human serum_set4_HJW-B_Serum_49_1_5.mzML SUBJECT_SAMPLE_FACTORS B_Serum_50 B_Serum_50 Factor:pARDS Batch=4; RAW_FILE_NAME=20191017_PC,PE profiling_Human serum_set4_HJW-B_Serum_50_1_100.mzML 20191018_PLS_Human serum_Set4_HJW-B_Serum_50.mzML 20191017_Cer_SM_Human serum_set4_HJW-B_Serum_50_1_5.mzML SUBJECT_SAMPLE_FACTORS D_Serum_21 D_Serum_21 Factor:Control Batch=5; RAW_FILE_NAME=20191022_PC,PE profiling_Human serum_set5_HJW-D_Normal serum_21_1_100.mzML 20191023_PLS_Human serum_Set5_HJW-D_Normal serum_21.mzML 20191022_Cer_SM_Human serum_set5_HJW-D_Normal serum_21_1_5.mzML SUBJECT_SAMPLE_FACTORS D_Serum_22 D_Serum_22 Factor:Control Batch=5; RAW_FILE_NAME=20191022_PC,PE profiling_Human serum_set5_HJW-D_Normal serum_22_1_100.mzML 20191023_PLS_Human serum_Set5_HJW-D_Normal serum_22.mzML 20191022_Cer_SM_Human serum_set5_HJW-D_Normal serum_22_1_5.mzML SUBJECT_SAMPLE_FACTORS D_Serum_23 D_Serum_23 Factor:Control Batch=5; RAW_FILE_NAME=20191022_PC,PE profiling_Human serum_set5_HJW-D_Normal serum_23_1_100.mzML 20191023_PLS_Human serum_Set5_HJW-D_Normal serum_23.mzML 20191022_Cer_SM_Human serum_set5_HJW-D_Normal serum_23_1_5.mzML SUBJECT_SAMPLE_FACTORS D_Serum_24 D_Serum_24 Factor:Control Batch=5; RAW_FILE_NAME=20191022_PC,PE profiling_Human serum_set5_HJW-D_Normal serum_24_1_100.mzML 20191023_PLS_Human serum_Set5_HJW-D_Normal serum_24.mzML 20191022_Cer_SM_Human serum_set5_HJW-D_Normal serum_24_1_5.mzML SUBJECT_SAMPLE_FACTORS D_Serum_25 D_Serum_25 Factor:Control Batch=5; RAW_FILE_NAME=20191022_PC,PE profiling_Human serum_set5_HJW-D_Normal serum_25_1_100.mzML 20191023_PLS_Human serum_Set5_HJW-D_Normal serum_25.mzML 20191022_Cer_SM_Human serum_set5_HJW-D_Normal serum_25_1_5.mzML SUBJECT_SAMPLE_FACTORS C_Serum_81 C_Serum_81 Factor:eARDS Batch=5; RAW_FILE_NAME=20191022_PC,PE profiling_Human serum_set5_HJW-C_Serum_81_1_100.mzML 20191023_PLS_Human serum_Set5_HJW-C_Serum_81.mzML 20191022_Cer_SM_Human serum_set5_HJW-C_Serum_81_1_5.mzML SUBJECT_SAMPLE_FACTORS C_Serum_82 C_Serum_82 Factor:eARDS Batch=5; RAW_FILE_NAME=20191022_PC,PE profiling_Human serum_set5_HJW-C_Serum_82_1_100.mzML 20191023_PLS_Human serum_Set5_HJW-C_Serum_82.mzML 20191022_Cer_SM_Human serum_set5_HJW-C_Serum_82_1_5.mzML SUBJECT_SAMPLE_FACTORS C_Serum_83 C_Serum_83 Factor:eARDS Batch=5; RAW_FILE_NAME=20191022_PC,PE profiling_Human serum_set5_HJW-C_Serum_83_1_100.mzML 20191023_PLS_Human serum_Set5_HJW-C_Serum_83.mzML 20191022_Cer_SM_Human serum_set5_HJW-C_Serum_83_1_5.mzML SUBJECT_SAMPLE_FACTORS C_Serum_84 C_Serum_84 Factor:eARDS Batch=5; RAW_FILE_NAME=20191022_PC,PE profiling_Human serum_set5_HJW-C_Serum_84_1_100.mzML 20191023_PLS_Human serum_Set5_HJW-C_Serum_84.mzML 20191022_Cer_SM_Human serum_set5_HJW-C_Serum_84_1_5.mzML SUBJECT_SAMPLE_FACTORS C_Serum_85 C_Serum_85 Factor:eARDS Batch=5; RAW_FILE_NAME=20191022_PC,PE profiling_Human serum_set5_HJW-C_Serum_85_1_100.mzML 20191023_PLS_Human serum_Set5_HJW-C_Serum_85.mzML 20191022_Cer_SM_Human serum_set5_HJW-C_Serum_85_1_5.mzML SUBJECT_SAMPLE_FACTORS B_Serum_51 B_Serum_51 Factor:pARDS Batch=5; RAW_FILE_NAME=20191022_PC,PE profiling_Human serum_set5_HJW-B_Serum_51_1_100.mzML 20191023_PLS_Human serum_Set5_HJW-B_Serum_51.mzML 20191022_Cer_SM_Human serum_set5_HJW-B_Serum_51_1_5.mzML SUBJECT_SAMPLE_FACTORS B_Serum_52 B_Serum_52 Factor:pARDS Batch=5; RAW_FILE_NAME=20191022_PC,PE profiling_Human serum_set5_HJW-B_Serum_52_1_100.mzML 20191023_PLS_Human serum_Set5_HJW-B_Serum_52.mzML 20191022_Cer_SM_Human serum_set5_HJW-B_Serum_52_1_5.mzML SUBJECT_SAMPLE_FACTORS B_Serum_53 B_Serum_53 Factor:pARDS Batch=5; RAW_FILE_NAME=20191022_PC,PE profiling_Human serum_set5_HJW-B_Serum_53_1_100.mzML 20191023_PLS_Human serum_Set5_HJW-B_Serum_53.mzML 20191022_Cer_SM_Human serum_set5_HJW-B_Serum_53_1_5.mzML SUBJECT_SAMPLE_FACTORS B_Serum_54 B_Serum_54 Factor:pARDS Batch=5; RAW_FILE_NAME=20191022_PC,PE profiling_Human serum_set5_HJW-B_Serum_54_1_100.mzML 20191023_PLS_Human serum_Set5_HJW-B_Serum_54.mzML 20191022_Cer_SM_Human serum_set5_HJW-B_Serum_54_1_5.mzML SUBJECT_SAMPLE_FACTORS B_Serum_55 B_Serum_55 Factor:pARDS Batch=5; RAW_FILE_NAME=20191022_PC,PE profiling_Human serum_set5_HJW-B_Serum_55_1_100.mzML 20191023_PLS_Human serum_Set5_HJW-B_Serum_55.mzML 20191022_Cer_SM_Human serum_set5_HJW-B_Serum_55_1_5.mzML SUBJECT_SAMPLE_FACTORS D_Serum_26 D_Serum_26 Factor:Control Batch=6; RAW_FILE_NAME=20191025_PC,PE profiling_Human serum_set6_HJW_cell media-D_Normal serum_26_1_100.mzML 20191028_PLS_Human serum_Set6_HJW-D_Normal serum_26.mzML 20191025_Cer_SM_Human serum_set6_HJW-D_Normal serum_26_1_5.mzML SUBJECT_SAMPLE_FACTORS D_Serum_27 D_Serum_27 Factor:Control Batch=6; RAW_FILE_NAME=20191025_PC,PE profiling_Human serum_set6_HJW_cell media-D_Normal serum_27_1_100.mzML 20191028_PLS_Human serum_Set6_HJW-D_Normal serum_27.mzML 20191025_Cer_SM_Human serum_set6_HJW-D_Normal serum_27_1_5.mzML SUBJECT_SAMPLE_FACTORS D_Serum_28 D_Serum_28 Factor:Control Batch=6; RAW_FILE_NAME=20191025_PC,PE profiling_Human serum_set6_HJW_cell media-D_Normal serum_28_1_100.mzML 20191028_PLS_Human serum_Set6_HJW-D_Normal serum_28.mzML 20191025_Cer_SM_Human serum_set6_HJW-D_Normal serum_28_1_5.mzML SUBJECT_SAMPLE_FACTORS D_Serum_29 D_Serum_29 Factor:Control Batch=6; RAW_FILE_NAME=20191025_PC,PE profiling_Human serum_set6_HJW_cell media-D_Normal serum_29_1_100.mzML 20191028_PLS_Human serum_Set6_HJW-D_Normal serum_29.mzML 20191025_Cer_SM_Human serum_set6_HJW-D_Normal serum_29_1_5.mzML SUBJECT_SAMPLE_FACTORS D_Serum_30 D_Serum_30 Factor:Control Batch=6; RAW_FILE_NAME=20191025_PC,PE profiling_Human serum_set6_HJW_cell media-D_Normal serum_30_1_100.mzML 20191028_PLS_Human serum_Set6_HJW-D_Normal serum_30.mzML 20191025_Cer_SM_Human serum_set6_HJW-D_Normal serum_30_1_5.mzML SUBJECT_SAMPLE_FACTORS C_Serum_86 C_Serum_86 Factor:eARDS Batch=6; RAW_FILE_NAME=20191025_PC,PE profiling_Human serum_set6_HJW_cell media-C_Serum_86_1_100.mzML 20191028_PLS_Human serum_Set6_HJW-C_Serum_86.mzML 20191025_Cer_SM_Human serum_set6_HJW-C_Serum_86_1_5.mzML SUBJECT_SAMPLE_FACTORS C_Serum_87 C_Serum_87 Factor:eARDS Batch=6; RAW_FILE_NAME=20191025_PC,PE profiling_Human serum_set6_HJW_cell media-C_Serum_87_1_100.mzML 20191028_PLS_Human serum_Set6_HJW-C_Serum_87.mzML 20191025_Cer_SM_Human serum_set6_HJW-C_Serum_87_1_5.mzML SUBJECT_SAMPLE_FACTORS C_Serum_88 C_Serum_88 Factor:eARDS Batch=6; RAW_FILE_NAME=20191025_PC,PE profiling_Human serum_set6_HJW_cell media-C_Serum_88_1_100.mzML 20191028_PLS_Human serum_Set6_HJW-C_Serum_88.mzML 20191025_Cer_SM_Human serum_set6_HJW-C_Serum_88_1_5.mzML SUBJECT_SAMPLE_FACTORS C_Serum_89 C_Serum_89 Factor:eARDS Batch=6; RAW_FILE_NAME=20191025_PC,PE profiling_Human serum_set6_HJW_cell media-C_Serum_89_1_100.mzML 20191028_PLS_Human serum_Set6_HJW-C_Serum_89.mzML 20191025_Cer_SM_Human serum_set6_HJW-C_Serum_89_1_5.mzML SUBJECT_SAMPLE_FACTORS C_Serum_90 C_Serum_90 Factor:eARDS Batch=6; RAW_FILE_NAME=20191025_PC,PE profiling_Human serum_set6_HJW_cell media-C_Serum_90_1_100.mzML 20191028_PLS_Human serum_Set6_HJW-C_Serum_90.mzML 20191025_Cer_SM_Human serum_set6_HJW-C_Serum_90_1_5.mzML SUBJECT_SAMPLE_FACTORS B_Serum_56 B_Serum_56 Factor:pARDS Batch=6; RAW_FILE_NAME=20191025_PC,PE profiling_Human serum_set6_HJW_cell media-B_Serum_56_1_100.mzML 20191028_PLS_Human serum_Set6_HJW-B_Serum_56.mzML 20191025_Cer_SM_Human serum_set6_HJW-B_Serum_56_1_5.mzML SUBJECT_SAMPLE_FACTORS B_Serum_57 B_Serum_57 Factor:pARDS Batch=6; RAW_FILE_NAME=20191025_PC,PE profiling_Human serum_set6_HJW_cell media-B_Serum_57_1_100.mzML 20191028_PLS_Human serum_Set6_HJW-B_Serum_57.mzML 20191025_Cer_SM_Human serum_set6_HJW-B_Serum_57_1_5.mzML SUBJECT_SAMPLE_FACTORS B_Serum_58 B_Serum_58 Factor:pARDS Batch=6; RAW_FILE_NAME=20191025_PC,PE profiling_Human serum_set6_HJW_cell media-B_Serum_58_1_100.mzML 20191028_PLS_Human serum_Set6_HJW-B_Serum_58.mzML 20191025_Cer_SM_Human serum_set6_HJW-B_Serum_58_1_5.mzML SUBJECT_SAMPLE_FACTORS B_Serum_59 B_Serum_59 Factor:pARDS Batch=6; RAW_FILE_NAME=20191025_PC,PE profiling_Human serum_set6_HJW_cell media-B_Serum_59_1_100.mzML 20191028_PLS_Human serum_Set6_HJW-B_Serum_59.mzML 20191025_Cer_SM_Human serum_set6_HJW-B_Serum_59_1_5.mzML SUBJECT_SAMPLE_FACTORS B_Serum_60 B_Serum_60 Factor:pARDS Batch=6; RAW_FILE_NAME=20191025_PC,PE profiling_Human serum_set6_HJW_cell media-B_Serum_60_1_100.mzML 20191028_PLS_Human serum_Set6_HJW-B_Serum_60.mzML 20191025_Cer_SM_Human serum_set6_HJW-B_Serum_60_1_5.mzML #COLLECTION CO:COLLECTION_SUMMARY This study was approved by the Asan Institutional Review Board (IRB No. CO:COLLECTION_SUMMARY 2019-1017). The inclusion criteria for the cohort were as follows: adult CO:COLLECTION_SUMMARY patients aged > 18 years, patients admitted to the medical intensive care unit CO:COLLECTION_SUMMARY (ICU) and clinically diagnosed as sepsis according to the Sepsis-2 definition16, CO:COLLECTION_SUMMARY and those enrolled within 48 hours of ICU admission. The patients' serum was CO:COLLECTION_SUMMARY collected at the time of sepsis cohort enrollment. The healthy control registry CO:COLLECTION_SUMMARY included healthy people who visited the Health Screening and Promotion Center at CO:COLLECTION_SUMMARY Asan Medical Center. The diagnosis of direct ARDS and indirect ARDS was made CO:COLLECTION_SUMMARY through a blind review by the two intensivists reaching the same judgment.Since CO:COLLECTION_SUMMARY the eligible ARDS patients belonged to the sepsis cohort, the direct ARDS group CO:COLLECTION_SUMMARY included pulmonary ARDS patients with pneumonia-induced sepsis, and the indirect CO:COLLECTION_SUMMARY ARDS included extrapulmonary ARDS patients with non-pneumonia induced sepsis. CO:SAMPLE_TYPE Blood (serum) CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY not available #SAMPLEPREP SP:SAMPLEPREP_SUMMARY 50 μL human serum was mixed well, and 50 μL of internal standard solutions (50 SP:SAMPLEPREP_SUMMARY nM C17 ceramide for sphingolipid; 200 nM 18:0 D70 PC and 1 μM 16:0 D31-18:1 PE SP:SAMPLEPREP_SUMMARY for plasmalogen and PC/PE profiling) were added. Metabolites were extracted from SP:SAMPLEPREP_SUMMARY aqueous and organic phases by liquid-liquid extraction after the addition of SP:SAMPLEPREP_SUMMARY chloroform and H2O. Nonpolar metabolites containing lipids were collected from SP:SAMPLEPREP_SUMMARY the lower organic phase. The organic phases were dried under vacuum and stored SP:SAMPLEPREP_SUMMARY at -20℃oC until further analysis. The dried matter was reconstituted with 50 SP:SAMPLEPREP_SUMMARY μL of MeOH prior to LC-MS/MS analysis. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY LC-MS/MS (MRM) for phospholipid CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Agilent 1290 CH:COLUMN_NAME Agilent ZORBAX Eclipse Plus C18 (50 x 2.1mm,1.8um) CH:SOLVENT_A 10 mM ammonium acetate in MeOH/isopropanol/H2O(900/50/50) CH:SOLVENT_B 10 mM ammonium acetate in MeOH/isopropanol/H2O(940/50/10) CH:FLOW_GRADIENT isocratic condition of 60% B CH:FLOW_RATE 400 µL/min CH:COLUMN_TEMPERATURE 30 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME ABI Sciex 5500 QTrap MS:INSTRUMENT_TYPE QTRAP MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS Data analysis was performed using Analyst 1.5.2 software. Extracted ion MS:MS_COMMENTS chromatograms (EIC) corresponding to each metabolite were used for quantitation MS:MS_COMMENTS (MRM). The area under the curve of each EIC was normalized to that of the MS:MS_COMMENTS internal standard. For metabolites related to PC/PE profiling, the peak area MS:MS_COMMENTS ratio of each metabolite to that of the internal standard was used for a MS:MS_COMMENTS relative comparison. For plasmalogens, the calibration range was generally 0.1 MS:MS_COMMENTS nM to 10 μM with R2>0.99 #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS nM MS_METABOLITE_DATA_START Samples D_Serum_1 D_Serum_2 D_Serum_3 D_Serum_4 D_Serum_5 D_Serum_6 D_Serum_7 D_Serum_8 D_Serum_9 D_Serum_10 D_Serum_11 D_Serum_12 D_Serum_13 D_Serum_14 D_Serum_15 D_Serum_16 D_Serum_17 D_Serum_18 D_Serum_19 D_Serum_20 D_Serum_21 D_Serum_22 D_Serum_23 D_Serum_24 D_Serum_25 D_Serum_26 D_Serum_27 D_Serum_28 D_Serum_29 D_Serum_30 C_Serum_61 C_Serum_62 C_Serum_63 C_Serum_64 C_Serum_65 C_Serum_66 C_Serum_67 C_Serum_68 C_Serum_69 C_Serum_70 C_Serum_71 C_Serum_72 C_Serum_73 C_Serum_74 C_Serum_75 C_Serum_76 C_Serum_77 C_Serum_78 C_Serum_79 C_Serum_80 C_Serum_81 C_Serum_82 C_Serum_83 C_Serum_84 C_Serum_85 C_Serum_86 C_Serum_87 C_Serum_88 C_Serum_89 C_Serum_90 B_Serum_31 B_Serum_32 B_Serum_33 B_Serum_34 B_Serum_35 B_Serum_36 B_Serum_37 B_Serum_38 B_Serum_39 B_Serum_40 B_Serum_41 B_Serum_42 B_Serum_43 B_Serum_44 B_Serum_45 B_Serum_46 B_Serum_47 B_Serum_48 B_Serum_49 B_Serum_50 B_Serum_51 B_Serum_52 B_Serum_53 B_Serum_54 B_Serum_55 B_Serum_56 B_Serum_57 B_Serum_58 B_Serum_59 B_Serum_60 Factors Factor:Control Factor:Control Factor:Control Factor:Control Factor:Control Factor:Control Factor:Control Factor:Control Factor:Control Factor:Control Factor:Control Factor:Control Factor:Control Factor:Control Factor:Control Factor:Control Factor:Control Factor:Control Factor:Control Factor:Control Factor:Control Factor:Control Factor:Control Factor:Control Factor:Control Factor:Control Factor:Control Factor:Control Factor:Control Factor:Control Factor:eARDS Factor:eARDS Factor:eARDS Factor:eARDS Factor:eARDS Factor:eARDS Factor:eARDS Factor:eARDS Factor:eARDS Factor:eARDS Factor:eARDS Factor:eARDS Factor:eARDS Factor:eARDS Factor:eARDS Factor:eARDS Factor:eARDS Factor:eARDS Factor:eARDS Factor:eARDS Factor:eARDS Factor:eARDS Factor:eARDS Factor:eARDS Factor:eARDS Factor:eARDS Factor:eARDS Factor:eARDS Factor:eARDS Factor:eARDS Factor:pARDS Factor:pARDS Factor:pARDS Factor:pARDS Factor:pARDS Factor:pARDS Factor:pARDS Factor:pARDS Factor:pARDS Factor:pARDS Factor:pARDS Factor:pARDS Factor:pARDS Factor:pARDS Factor:pARDS Factor:pARDS Factor:pARDS Factor:pARDS Factor:pARDS Factor:pARDS Factor:pARDS Factor:pARDS Factor:pARDS Factor:pARDS Factor:pARDS Factor:pARDS Factor:pARDS Factor:pARDS Factor:pARDS Factor:pARDS C18_Plasm_LPC 243 136 209 211 260 253 274 310 293 257 391 273 456 302 437 443 411 535 476 435 656 635 604 318 282 727 628 343 607 706 32.2 33.7 50.8 22.5 29 86.3 95.5 24 79.6 167 188 52.2 55.5 118 28 37.4 167 126 32.2 23.7 31.1 90.3 450 331 106 104 220 37.4 171 41.8 35.7 12.6 68.6 75.5 164 119 42.6 104 104 48.1 253 66 69.2 82.5 107 169 166 321 276 195 145 83.4 72.3 137 50.8 214 212 205 501 155 C18_Plasm_18_1_PC 276 212 260 204 164 281 176 236 140 306 373 338 458 248 252 192 211 213 328 226 481 500 221 183 124 178 401 164 286 480 302 118 397 88.1 130 216 271 81.6 183 143 315 193 195 199 111 93.7 284 185 105 84.1 98.5 242 386 132 133 208 284 215 133 141 232 187 140 74.8 200 106 131 124 124 89.7 291 161 295 311 183 174 379 352 183 221 119 74.4 207 214 41.1 132 181 189 141 326 C18_Plasm_22_6_PC 671 549 497 457 443 764 710 971 532 1100 885 915 1230 963 1350 687 1140 783 1020 788 1390 1450 889 843 497 726 998 581 808 1820 239 119 261 147 137 333 576 180 448 454 703 240 260 583 278 173 645 450 297 96.2 198 546 433 444 292 491 946 292 316 160 225 237 180 122 394 252 210 157 217 226 975 207 589 489 236 415 668 507 484 697 343 97.5 189 461 107 250 481 531 394 546 C18_Plasm_20_4_PC 942 635 574 779 777 869 753 757 572 1380 1560 891 1560 945 927 998 916 1200 1210 1020 1890 1820 1160 1060 691 1000 1710 1160 1550 2260 407 148 552 211 327 686 917 323 545 651 773 541 711 1080 466 401 1410 692 502 190 419 833 782 508 452 855 722 529 633 456 302 300 421 244 635 394 580 258 359 340 1420 781 768 880 559 832 1040 874 1200 681 519 252 473 1160 191 362 484 941 619 935 C18_Plasm_22_6_PE 11300 8780 6430 7480 7520 11600 7760 6520 7030 12900 18800 11100 18500 9280 18100 7680 12400 14800 12600 9880 13200 19400 9700 7080 6200 7740 10300 7210 9940 25000 10000 653 3540 2470 801 4350 9340 2110 7310 4820 6450 3050 1890 6260 3960 833 6510 4910 2190 1770 2100 3560 1770 3720 1980 3340 7830 3890 2600 1720 1550 4420 1820 1210 3610 1540 1750 1030 1550 3370 10600 2020 5300 4460 2500 3120 5590 3950 5790 5480 2340 637 1560 1970 976 2010 3790 3720 2960 3260 C18_Plasm_18_1_PE 376 255 288 297 340 708 347 167 272 689 1040 356 700 312 471 456 344 682 576 499 562 890 383 197 219 317 314 283 421 704 608 49.8 235 111 68.9 317 511 112 215 164 334 321 101 214 135 46.9 358 241 63.4 127 97.9 142 155 108 105 151 206 215 63.3 109 58.4 320 160 35 211 84.3 154 93.5 85.6 80.5 371 126 290 339 136 154 349 277 315 285 59.6 30.4 113 99.7 30.4 117 127 145 106 108 C18_Plasm_LPE 118 81.7 76.6 101 103 145 137 116 175 137 291 140 233 148 238 189 125 246 175 142 200 278 202 62.4 92.2 130 114 79 139 188 117 10.9 25.4 12.4 10.2 28.3 72.2 13.6 35.2 38.8 82.9 23.3 18.1 40.2 15.2 18.6 41.5 27.5 12.6 24.3 18.4 31.3 39 54.2 36.8 43.8 33.6 44.4 23.4 9.43 17.2 16.4 22.3 9.1 30.9 19.9 38.8 14.3 43.2 27.9 82.4 16.2 29.7 59.5 22.8 53 65.1 43.8 54.6 54.6 15.9 26.2 28.5 26 19.4 31.2 20.8 18 75 35 C18_Plasm_20_4_PE 8890 4210 4780 5870 8570 8630 5940 2870 4490 10500 18300 6080 14800 5930 8110 7160 7460 12700 9380 9990 12700 18300 6980 4400 4690 7000 9730 6400 6950 18200 4430 222 2100 1070 289 2850 7610 1430 2930 2830 2630 1140 1290 2210 1270 304 2560 2270 744 900 1610 1900 1030 2010 1150 2430 2050 2590 1280 1960 670 1790 1500 420 1510 639 1630 285 1000 1450 6400 1740 1280 3400 1890 2560 2150 2750 2270 1730 1030 405 1580 1260 526 1390 1120 1730 2110 1610 LPC_16_0 78.5 39.5 72.5 102.2 93.1 62.8 48.6 48 130.4 25.2 53.4 32.6 78.1 31.7 61.6 154.3 68.6 81.1 92.9 69.3 62.3 37.6 138.5 46.7 65.2 78.7 55.8 141.3 61 31.8 22.7 31.9 34.1 24 5 7 17.7 3.6 18.7 63.8 26.8 18.7 12 17 4.4 23 43.2 7 8.8 10.9 3.8 4.7 49.5 61.4 28.8 11.8 9.9 5.3 5.7 15.8 17.5 8 12.5 75.3 112.5 51.2 39.8 18.2 35.4 36.6 28.6 24.7 20.5 17.2 23.9 35.4 41.6 45.4 65 53.6 25.7 14.9 63.9 41.1 25.3 40.5 33.1 32.2 30.7 16.9 LPC_17_6 12.2 7.1 12.3 15.9 14.2 9.6 7.7 7.4 20.4 3.6 8.3 5.1 11.7 5.2 9.4 21.5 9.4 11.4 12.3 10.6 12.6 7.3 24.5 7.9 11.3 10.9 8.3 21.6 8.6 4.2 3.8 5 3.9 4.3 0.6 1.3 3.1 0.5 2.8 9.7 4.3 3 2.1 2.8 0.7 3.9 5.7 1.4 1.2 1.6 0.4 0.9 7.8 10.9 4.9 1.8 1.3 0.7 0.5 2.3 3.8 1.5 2.1 11.6 18.3 9.9 6.3 3.1 5.8 6.1 4.7 3.9 3.5 2.6 4 6.2 6.7 6.4 9.1 7.3 4.6 3.2 11.1 8 5.4 6.4 5.7 4.7 4.1 3.5 LPC_18_2 23.7 5.9 17.3 18.8 13.3 14.4 11.2 9 19.6 5.4 10.4 8.3 13.1 5.9 7.4 23.6 10.5 14.3 17.8 17.6 16.7 8.3 23.4 8.5 23 29.7 12.3 29.8 8.6 7.2 4.9 8.3 3 1.8 0.8 1.4 3.1 2.2 2.5 3.3 2.6 22.3 2.8 1.2 4.2 2.6 7.2 1.5 1.7 2.3 0.9 0.6 3.6 9.8 13.7 8.2 8.4 1 1.6 27.5 4.4 4.5 1.4 5.2 33.6 4.6 6.9 5.1 4.5 12.3 6.9 4.3 14 3.2 2.4 5.5 13.7 15.8 5.6 7.5 2 1.8 9.2 10.8 4.5 3.9 2.9 5 3.1 4.7 LPC_18_1 20.2 7.9 18.6 20.4 18.8 13.3 13.1 11.6 23.6 6.4 12.9 6.8 17 6.8 8.6 29.9 10.9 16.5 19.1 14.5 14.4 8.7 27.3 8 15 32.1 12 27.3 19.4 6.8 5.3 8.9 5.9 4.1 1.7 3.9 4.3 2.3 5 8 5.1 19.6 3.8 3.5 3.6 4.3 11.1 1.9 1.8 3.2 1.1 1.7 9.1 9.5 14.4 8.5 9.4 1.9 2.6 22 6.4 5.1 3 13 27.9 8.1 9 9.2 7.8 11.6 7.2 5.6 11.6 4.3 4.7 7.7 12.2 16.5 10 8.5 3.3 3.8 12 11.5 5.5 6.9 5.2 7.4 4.9 6.2 LPC_18_0 35.4 15.5 36.5 41.1 36.5 28.3 26 20.5 47.2 9.9 17.9 13.5 27.8 15.6 25.2 59.9 29.8 30.6 46.2 31.3 31.2 19.3 49.3 16.9 26.6 44.4 22.6 53.8 24.2 16.8 8 10.5 12.4 9.6 2.2 3.4 8.1 1.7 10.2 16.2 10.7 8.6 4.1 5.6 2.3 10.1 12.4 5 4.6 5.3 2.1 2.1 14.8 19.8 13.2 6 4.8 2.8 2.3 9.7 8.9 4.5 4.9 39.2 40.4 18.4 16.1 7.8 10.4 17.1 11.1 7.9 8.4 4.5 7.6 14.4 13.3 14.5 21.8 16.4 11.2 9.2 22.8 15.5 11.5 12.7 15.5 12.5 14.3 7.4 LPC_19_6 7 2.7 5.6 7.2 6.9 4.9 4.6 3.3 9 1.7 3.1 2.5 4.6 2.7 4.8 10 6.1 5 7.7 5.2 6.1 3.6 8.8 3.3 5 6.4 3.4 9.5 3.5 2.7 2.2 1.4 2.1 1.7 0.4 0.6 1.4 0.4 1.6 3.1 2.1 0.8 0.6 1.1 0.5 2 2 0.9 0.7 1 0.3 0.4 3.3 3.2 2.2 0.6 0.6 0.5 0.6 0.8 1.6 0.6 0.7 7.7 8.8 3.1 2.4 1.6 1.8 2.7 1.9 1.3 1.4 0.7 1.3 2.3 1.8 2.6 3.9 2.3 2.4 1.2 4.5 3 3.1 1.9 2.3 2 2.6 1 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name HMDB_ID KEGG_ID C18_Plasm_LPC HMDB0013122 C18_Plasm_18_1_PC HMDB0289587 C18_Plasm_22_6_PC HMDB0289611 C18_Plasm_20_4_PC HMDB0289535 C18_Plasm_22_6_PE HMDB0011394 C18_Plasm_18_1_PE HMDB0011375 C18_Plasm_LPE HMDB0240598 C18_Plasm_20_4_PE HMDB0005779 LPC_16_0 C04230 LPC_17_6 C04231 LPC_18_2 C04232 LPC_18_1 C04233 LPC_18_0 C04234 LPC_19_6 C04235 METABOLITES_END #END