#METABOLOMICS WORKBENCH hjyoo2_20230330_221455 DATATRACK_ID:3829 STUDY_ID:ST002550 ANALYSIS_ID:AN004199 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 sphingolipid CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Agilent 1290 CH:COLUMN_NAME Agilent Pursuit 5 C18 (150 x 2.1mm,5um) CH:SOLVENT_A 5 mM ammonium formate/MeOH/tetrahydrofuran(500/200/300) CH:SOLVENT_B 5 mM ammonium formate/MeOH/tetrahydrofuran(100/200/700) CH:FLOW_GRADIENT 50% A for 0 min, 50% A for 5 min, 50 to 30% A for 3 min, 30% A for 7 min, 30 to CH:FLOW_GRADIENT 10% A for 7 min, 10% A for 3 min, 10 to 50% A for 0.1 min, and 50% A for 4.9 min CH:FLOW_RATE 200 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 ceramides and sphingomyelins, the calibration range was MS:MS_COMMENTS generally 0.1 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 C14_Ceramide 7.49635119 8.415059524 7.951845238 7.365107143 9.573095238 8.629920379 11.83404347 4.354034861 11.27583387 11.16419195 16.04071565 11.26454751 9.101754386 11.17443113 12.07559493 10.73853287 11.42579897 12.71442292 10.30899155 9.364000662 13.0424581 12.73330354 8.714294227 12.19228305 10.16345624 5.944583333 5.374689394 5.079916667 5.8365 7.939212121 14.43684524 5.265202381 6.461839286 7.519511905 7.797440476 9.500727351 19.76061975 5.436961481 10.50550463 9.1546374 16.40118117 11.80524579 8.461928088 12.88664235 12.25582769 7.130385825 10.82444113 10.9103494 7.044477563 12.88623944 17.19672253 15.36111732 9.197348231 9.409891993 13.11974674 7.487227273 7.231757576 9.226386364 5.51225 8.499280303 9.495892857 10.65392857 6.145309524 3.968202381 6.28427381 10.41619109 12.05732731 3.405078545 7.502336992 12.16896923 10.18315095 6.163960396 8.173555671 9.462219906 9.462219906 9.192184136 9.965358503 10.39489982 7.053068389 11.25398245 10.72379888 17.66045438 6.666145251 10.26006704 5.642070764 5.404166667 8.39119697 6.897681818 5.040613636 4.677060606 C16_Ceramide 207.9768293 173.3140244 163.6854675 182.9425813 204.1254065 255.2354822 192.6680294 118.1829665 192.6680294 211.5375786 326.87025 206.070375 168.9619167 198.1749583 205.2808333 188.0616834 213.4539782 174.5720268 224.5631072 223.769598 251.4621966 279.5862581 203.4858565 264.6970491 191.9053606 172.4844872 225.9303846 131.1853846 212.5689103 293.9524359 1193.941057 184.8682927 405.3622459 346.6280488 248.4167683 295.9539832 504.5121593 254.242348 450.882914 480.6769392 526.6242917 370.2950417 424.7734167 562.9432083 363.1891667 318.1971943 369.7752931 434.8430486 369.7752931 618.9371859 694.8297538 627.001135 532.7028112 375.5389384 367.2671556 428.781859 730.0223718 392.3414744 323.1047436 258.7267308 221.4568089 540.1620427 163.6854675 210.8653963 275.3767276 321.7754717 490.6082809 95.14225367 268.1462264 429.0339623 947.45 251.07425 450.03875 177.646875 300.0258333 245.1943467 285.6633166 452.3002513 616.5566583 588.7838358 464.8741924 400.3542867 258.0796228 572.4073686 266.3514056 258.7267308 437.2846154 225.9303846 242.9358974 438.4992949 C18_Ceramide 71.81634111 67.33670796 52.33349214 95.99213911 111.6353025 63.5625 55.6875 49.78125 110.625 84.65625 228.1311787 76.27072243 105.66673 102.3752852 75.36273764 122.3502907 113.6729651 149.25 205.6526163 156.1918605 109.2648837 148.555814 93.02093023 133.7002326 103.8502326 93.37824957 73.4610052 78.1169844 148.732669 151.3193241 647.7691758 91.72582182 195.5395426 135.1000476 36.47701286 30.75 190.3125 93.09375 132.1875 199.6875 276.9353612 250.8307985 179.3269962 152.0874525 161.1673004 149.25 209.9912791 154.4563953 156.1918605 266.3938953 173.5465116 132.4506977 281.8395349 169.3813953 194.372093 84.84228769 144.8526863 139.6793761 116.7874783 31.03986135 79.63792282 396.7675083 30.14864221 115.1905669 154.2984755 135 143.4375 18.75 169.6875 195.9375 365.4638783 81.94562738 149.8174905 98.28935361 135.0627376 131.8953488 170.943314 200.4462209 688.9796512 510.2267442 265.1790698 176.3232558 170.7697674 304.0534884 105.7939535 123.7714471 223.7456672 140.9727036 204.3457539 262.5454939 C18_1_Ceramide 16.14596226 15.59864151 10.94641509 17.51426415 19.61232704 18.40263158 12.26842105 11.92763158 21.12894737 24.08245614 29.49822844 18.84843823 16.48181818 23.32811189 13.43902098 16.13806331 17.01586592 17.28595903 27.2794041 17.28595903 18.0743865 26.32372188 11.62322086 25.95296524 18.22268916 11.01338042 12.15984527 8.988772284 19.02643794 22.68536831 33.56900629 8.556447799 24.53821384 17.42304403 5.135693082 6.793070175 38.73640351 7.667763158 16.35789474 16.58508772 27.21613054 16.56634033 12.17118881 13.43902098 9.297435897 9.520782123 14.44998138 10.1960149 8.440409683 12.896946 23.17229039 13.97752556 30.77280164 16.05376278 20.20623722 11.44025563 12.68429196 14.87965018 7.122717793 4.04921628 10.58153459 28.36945912 3.338656604 6.677313208 17.97036478 14.1995614 30.10307018 3.055745614 17.49385965 16.92587719 32.54102564 9.297435897 14.79137529 10.98787879 13.69258741 11.34391061 13.23456238 16.27310987 26.6716946 40.71653631 22.98691207 23.54304703 19.2793456 19.65010225 10.02896728 10.06205853 12.31839892 11.48904137 10.54991591 16.22125799 C20_Ceramide 128.2232704 78.39937107 87.1918239 139.2138365 161.927673 111.974213 85.31368609 49.90850636 143.9668453 101.5232864 303.0824063 87.579007 118.0840544 104.3075814 74.78656778 150.7429505 160.5546218 186.4217554 203.3691877 173.0422035 110.9648531 174.6801559 89.05824341 139.8873052 113.2557404 92.60561224 87.49953839 83.55393586 149.7008017 163.6264577 361.2232704 64.69779874 188.3050314 144.3427673 30.0408805 33.80554811 163.1624246 63.55869614 82.00778075 138.6347399 115.131953 148.5891018 76.55782859 105.2916152 79.80514009 99.00868347 191.7735761 126.6597572 109.7123249 122.1999066 72.44931055 88.19916067 177.543765 132.7282824 114.687545 55.81867104 101.7733358 97.13145044 67.19129009 23.90570943 94.51886792 262.3081761 35.09654088 97.44968553 141.4119497 129.0369502 94.48490735 26.23395847 133.3026345 120.5055816 293.2420684 48.21765554 113.1638855 69.76799547 85.61093943 99.90065359 173.9341737 145.3911298 319.3253035 369.2756303 168.9529376 102.5172062 91.92185252 167.5211331 61.71077638 72.06526968 138.0960884 99.33634597 102.00543 156.6636297 C24_Ceramide 3071.986532 1963.299663 2548.439955 2771.717172 2502.244669 3515.323383 2138.772803 1036.394693 3822.487562 2081.890547 5926.756931 2158.401032 2600.696325 2547.62089 2149.555126 3083.614275 4406.651481 2052.270311 5323.40167 2979.438117 2202.494888 3577.300613 2090.265849 2216.523517 1921.92229 1491.731044 2178.712446 1678.197425 3336.76681 2581.087268 1547.542088 469.6520763 2201.975309 2340.561167 448.8641975 728.092869 1717.844113 596.1260365 1097.827529 1695.091211 1716.105738 719.172147 624.5209542 2061.096067 1273.810445 927.1678056 1791.829916 1156.355353 1343.872437 930.2930904 707.0429448 531.6850716 1697.464213 1795.664622 613.0511247 621.2274678 1050.100143 877.3733906 468.1287554 453.4077253 597.4590348 1924.803591 556.6531987 823.8159371 2047.991021 1581.3267 1051.18408 340.1558872 1058.00995 845.2703151 3405.673759 675.8272083 2370.702772 1052.662798 1300.348162 1760.577069 2812.756264 2177.281701 2771.085801 4156.628702 1697.464213 705.6400818 1262.576687 918.8752556 662.1513292 981.4020029 1413.218884 1334.706724 978.4577969 869.5221745 C24_1_Ceramide 1349.791022 1108.161765 707.3904799 841.5363777 1124.825851 1132.726333 953.5048966 729.7709467 1125.698041 700.4863983 2676.836266 1046.025249 897.7697016 789.0489671 812.1109411 1147.231571 1052.347756 1017.844551 1500.889423 1630.276442 749.1959554 1123.043236 624.5801953 795.7391911 463.9309623 665.0917008 650.7530738 502.954918 1411.803279 1191.209016 2807.898607 719.8885449 1683.072755 1758.061146 644.0669505 698.1436344 1757.072905 838.7094668 1153.811208 1815.642002 1474.319051 1235.462892 1004.843152 1400.191278 1153.098699 814.275641 1768.289263 2061.566506 1440.508814 1216.237981 1034.460948 882.8200837 1906.771269 1071.995816 687.6387727 644.1352459 1202.23873 1158.119877 815.0957992 340.8181352 714.0561146 3349.481424 452.4299536 941.5208978 1074.833591 1569.651795 1593.079434 372.4994559 1300.23395 928.905876 4315.883703 873.0604438 1153.098699 848.3511859 971.8974751 940.2123397 1811.418269 1940.805288 2277.211538 3234.675481 1216.129707 1177.093445 539.0006974 1214.628312 668.1206416 751.1234631 1466.951844 905.5394467 712.5194672 1367.684426 18_0_SM 17175.33776 16644.14175 12748.70432 14342.29236 13102.83499 12272.25877 11465.79605 12389.13743 11115.16009 11465.79605 13081.90909 13081.90909 11810.05682 10295.94697 9750.867424 13783.62069 13416.05747 12956.60345 24351.06322 16448.45402 16419.48773 17600.47177 9828.834882 11219.34834 11371.73338 7195.05 13457.40833 8047.796667 13017.71083 16921.69167 9118.864895 7684.635659 11774.84496 9472.99557 2965.844408 6720.522661 7433.482456 3962.186404 7702.303363 7445.170322 8781.837121 5953.479924 3791.331061 6722.647727 3688.371591 4511.838506 11762.02299 11578.24138 8426.386782 4824.267241 6476.36407 5314.428163 14628.96355 9124.054086 6228.738385 5849.309167 5982.550833 3917.305 3957.2775 3371.014167 7976.793466 14342.29236 6516.00443 8056.472868 13191.36766 9911.309942 8017.875731 2711.584795 5645.239035 5493.296784 12657.95833 6480.390152 8721.272727 7328.291667 6298.69697 12221.47701 23432.15517 18102.48851 24167.28161 16172.78161 18933.84084 3600.096497 8000.214439 8990.717179 3904.866571 6715.38 10219.63583 10046.42167 12578.01333 8247.659167 18_1_SM 8177.067869 9100.450689 5858.351007 6802.253446 5591.59597 6961.280488 5698.810976 7020.27439 5474.634146 6737.103659 6412.644788 6661.679537 5534.797297 5802.509653 4681.853282 6822.573937 8324.792052 7072.943623 14128.0037 8002.88817 5516.738014 6958.047945 3180.821918 4622.131849 4241.09589 2754.19708 5202.372263 2730.656934 5296.532847 7509.306569 3365.217391 2144.300106 6104.586426 4165.482503 980.8377519 2241.768293 3268.262195 1510.243902 3787.408537 3079.481707 4077.944015 1799.276062 1214.044402 2384.507722 989.9131274 1225.023105 6089.348429 4140.04159 2575.231054 1394.916821 2451.883562 1938.313356 5549.871575 2816.35274 2103.981164 1989.142336 2471.715328 1447.718978 1200.547445 919.2427007 3016.383881 4965.747614 2072.481442 2513.653234 5304.321315 3657.621951 4247.560976 849.5121951 2642.926829 2076.585366 4949.565637 2266.216216 3156.515444 2565.057915 3312.162162 4891.150647 8432.093346 8074.422366 6232.416821 8941.774492 5798.373288 1176.241438 3263.655822 2087.414384 1555.620719 2377.554745 2577.645985 3001.368613 3672.262774 2742.427007 16_0_SM 88702.44957 73674.75184 65965.73807 57280.89978 49669.46846 73647.91667 62335.22727 49637.31061 46982.29167 58064.10985 65529.14508 62568.49093 48817.89724 47699.42789 52107.51295 48512.27773 54447.29043 48426.26305 68123.62405 58662.0096 73218.00465 77827.37056 47689.20884 49639.32519 43966.25945 34556.88737 62967.75114 35716.51446 52878.99543 71548.99163 58354.30676 33763.52866 49767.05091 44595.18092 30152.97791 54947.34848 38555.49242 27589.10985 51830.58712 40979.64015 39672.76554 22764.14076 22632.55613 48817.89724 23224.68696 24944.25628 46791.98419 59694.18572 44899.6613 35266.0175 47334.64223 49284.75858 71267.88831 53184.99127 31556.42816 41514.64992 65982.78158 30266.26712 33629.18569 20989.25038 35129.683 49083.97374 46741.99488 34544.18828 51035.6228 48482.95455 45250.75758 25280.39773 26434.75379 29089.77273 74345.3152 31448.72625 50067.95121 28817.03368 36185.77288 44899.6613 55221.42252 56597.65735 49114.38047 44211.54389 72863.43805 21096.71321 31024.57824 40243.31006 20210.29668 36992.10426 47660.67352 39775.20928 40007.1347 37224.02968 24_0_SM 33700.19436 32639.69874 31107.87172 26865.88921 16850.09718 27429.92993 20875.87588 12865.36537 20390.39039 20997.24725 22130.1633 20383.04515 14966.97887 16714.09702 16189.96158 16946.19147 22368.97275 17115.65339 24487.24668 19742.31307 22575.07508 24941.81682 16949.51201 14673.7988 13144.51952 8980.220037 17710.67416 10024.69569 14872.42509 14758.89513 12843.78037 6186.22449 18735.42274 13197.27891 3912.050534 10377.25225 12258.50851 4527.152152 7452.202202 9224.224224 6522.574448 2841.978866 2294.548511 9958.573487 4018.371758 6592.068484 10252.44584 15759.95807 9744.060098 4278.913347 6590.465465 7336.899399 15110.73574 11232.92042 7009.196697 6686.914794 6584.737828 4507.139513 4268.726592 4529.845506 10051.14189 11017.37123 9308.794947 7258.503401 14257.77454 13472.22222 7209.459459 5194.694695 6262.762763 4794.169169 18111.79155 4228.025937 10715.65802 4950.168108 6930.235351 12624.91265 14743.18658 13556.95318 13980.60797 10337.1768 11688.06306 3404.466967 9303.115616 5825.825826 3641.141141 8106.039326 6527.972846 7901.685393 8435.276217 5710.557116 24_1_SM 69588.35759 87746.56965 47189.60499 40122.03742 35664.03326 36861.32723 36143.24943 43922.42563 27526.31579 39853.31808 40684.07367 47880.28169 30371.39762 27934.88624 36151.02925 32527.00491 36721.2766 34752.53682 48704.90998 45623.40426 40395.89552 42737.68657 26735.44776 27125.74627 18695.29851 21645.69378 33532.05742 18392.58373 36534.92823 37786.1244 44362.57796 28922.66112 42514.13721 33706.86071 21202.7027 36382.6087 25372.08238 16276.43021 24654.00458 24414.64531 25158.39653 13542.47021 12069.23077 24138.46154 13599.13326 12326.02291 28418.33061 53755.15548 30558.26514 12069.23077 23808.20896 26150 53275.74627 26735.44776 17992.76119 18142.3445 27025.83732 14388.75598 18392.58373 12111.57895 23051.14345 46537.21414 29248.85655 23159.87526 35337.83784 36741.6476 26329.51945 16994.50801 19747.13959 13882.83753 49636.8364 18018.85157 21531.961 18075.51463 21248.64572 26107.20131 43226.67758 46821.76759 38347.62684 28675.12275 33760.8209 15085.03731 12489.55224 22051.86567 10850.29851 20894.97608 23022.00957 24273.20574 23397.36842 24523.44498 SA 2.24 14.2 6.51 11.1 11 2.66 3.38 4.42 2.9 3.67 0.273 0.477 3.41 6 7.14 3.11 7.34 5.72 11.1 4.62 2.56 5.2 3.89 3.83 4 5.97 6.36 5.05 8.34 4 70.4 5.83 14.2 18.9 3.9 6.34 12.1 1.35 12.9 5.08 2.02 0.196 19.4 5.63 10.2 3.88 5.73 12.2 1.38 22.9 10.2 5.63 7.56 2.47 4.57 22.4 5.76 7.32 1.49 14.2 11.3 45.6 9.16 19.4 10.4 2.5 5.57 4.11 3.16 0.255 10.1 0.5 6.61 1.85 2.68 2.95 2.5 0.251 5.65 4.05 2.51 3.96 2.48 2.18 1.38 3.93 3.3 1.24 0.904 6.77 SO 12.81355932 15.27770535 17.68024772 17.37222947 29.32333768 7.617857143 11.8125 7.485267857 14.58482143 7.051339286 30.9244186 21.03488372 20.87790698 25.90116279 40.02906977 8.764411765 15.75 11.85882353 27.97941176 14.91617647 7.066468843 11.31476261 15.28264095 12.94117211 13.9787092 10.91761364 10.02272727 7.338068182 6.425284091 8.751988636 86.24511082 16.38657106 15.4625163 16.0785528 14.35365059 34.35267857 46.04464286 11.24598214 59.66517857 30.73660714 14.74011628 35.79069767 84.9244186 44.26744186 45.52325581 10.65441176 20.10441176 38.81911765 4.910294118 75.87794118 37.43545994 26.63946588 27.48071217 18.36721068 22.99406528 58.70454545 8.680397727 16.46590909 3.006818182 31.76846591 3.517568449 36.09973924 14.72327249 19.09713168 8.870925684 9.642857143 22.05803571 8.823214286 19.40625 13.74107143 65.30232558 22.60465116 27.94186047 11.31802326 8.147093023 8.643970588 3.418676471 4.558235294 23.43970588 12.6 14.00675074 11.30074184 15.00222552 21.87240356 10.26320475 6.174715909 5.252982955 1.503409091 4.358096591 24.78835227 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name HMDB_ID C14_Ceramide HMDB0011773 C16_Ceramide HMDB0004949 C18_Ceramide HMDB0004950 C18_1_Ceramide HMDB0011774 C20_Ceramide HMDB0004951 C24_Ceramide HMDB0004956 C24_1_Ceramide HMDB0004953 18_0_SM HMDB0001348 18_1_SM HMDB0012101 16_0_SM HMDB0010169 24_0_SM HMDB0011697 24_1_SM HMDB0012107 SA HMDB0000269 SO HMDB0000252 METABOLITES_END #END