#METABOLOMICS WORKBENCH jeffmolendijk_20210822_185056 DATATRACK_ID:2807 STUDY_ID:ST001942 ANALYSIS_ID:AN003185 PROJECT_ID:000000 VERSION 1 CREATED_ON October 4, 2021, 3:16 pm #PROJECT PR:PROJECT_TITLE Lipidomics of esophageal adenocarcinoma PR:PROJECT_SUMMARY Lipidomics of esophageal adenocarcinoma PR:INSTITUTE QIMR Berghofer Medical Research Institute PR:LAST_NAME Molendijk PR:FIRST_NAME Jeffrey PR:ADDRESS Building 181, Parkville VIC 3010 Australia PR:EMAIL jeff.molendijk@unimelb.edu.au PR:PHONE 0000000000 #STUDY ST:STUDY_TITLE Lipidomics of esophageal adenocarcinoma ST:STUDY_SUMMARY Lipidomics of esophageal adenocarcinoma ST:INSTITUTE QIMR Berghofer Medical Research Institute ST:LAST_NAME Molendijk ST:FIRST_NAME Jeffrey ST:ADDRESS Building 181, Parkville VIC 3010 Australia ST:EMAIL jeff.molendijk@unimelb.edu.au ST:PHONE 0000000000 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #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 - 1N_Pos Group:Normal Analysis=Tissue_Untargeted; RAW_FILE_NAME=POS_1N.d SUBJECT_SAMPLE_FACTORS - 2N_Pos Group:Normal Analysis=Tissue_Untargeted; RAW_FILE_NAME=POS_2N.d SUBJECT_SAMPLE_FACTORS - 3N_Pos Group:Normal Analysis=Tissue_Untargeted; RAW_FILE_NAME=POS_3N.d SUBJECT_SAMPLE_FACTORS - 4N_Pos Group:Normal Analysis=Tissue_Untargeted; RAW_FILE_NAME=POS_4N.d SUBJECT_SAMPLE_FACTORS - 5N_Pos Group:Normal Analysis=Tissue_Untargeted; RAW_FILE_NAME=POS_5N.d SUBJECT_SAMPLE_FACTORS - 6N_Pos Group:Normal Analysis=Tissue_Untargeted; RAW_FILE_NAME=POS_6N.d SUBJECT_SAMPLE_FACTORS - 7N_Pos Group:Normal Analysis=Tissue_Untargeted; RAW_FILE_NAME=POS_7N.d SUBJECT_SAMPLE_FACTORS - 8N_Pos Group:Normal Analysis=Tissue_Untargeted; RAW_FILE_NAME=POS_8N.d SUBJECT_SAMPLE_FACTORS - 9N_Pos Group:Normal Analysis=Tissue_Untargeted; RAW_FILE_NAME=POS_9N.d SUBJECT_SAMPLE_FACTORS - 10N_Pos Group:Normal Analysis=Tissue_Untargeted; RAW_FILE_NAME=POS_10N.d SUBJECT_SAMPLE_FACTORS - 1B_Pos Group:Barrett's esophagus Analysis=Tissue_Untargeted; RAW_FILE_NAME=POS_1B.d SUBJECT_SAMPLE_FACTORS - 2B_Pos Group:Barrett's esophagus Analysis=Tissue_Untargeted; RAW_FILE_NAME=POS_2B.d SUBJECT_SAMPLE_FACTORS - 3B_Pos Group:Barrett's esophagus Analysis=Tissue_Untargeted; RAW_FILE_NAME=POS_3B.d SUBJECT_SAMPLE_FACTORS - 4B_Pos Group:Barrett's esophagus Analysis=Tissue_Untargeted; RAW_FILE_NAME=POS_4B.d SUBJECT_SAMPLE_FACTORS - 5B_Pos Group:Barrett's esophagus Analysis=Tissue_Untargeted; RAW_FILE_NAME=POS_5B.d SUBJECT_SAMPLE_FACTORS - 6B_Pos Group:Barrett's esophagus Analysis=Tissue_Untargeted; RAW_FILE_NAME=POS_6B.d SUBJECT_SAMPLE_FACTORS - 7B_Pos Group:Barrett's esophagus Analysis=Tissue_Untargeted; RAW_FILE_NAME=POS_7B.d SUBJECT_SAMPLE_FACTORS - 8B_Pos Group:Barrett's esophagus Analysis=Tissue_Untargeted; RAW_FILE_NAME=POS_8B.d SUBJECT_SAMPLE_FACTORS - 9B_Pos Group:Barrett's esophagus Analysis=Tissue_Untargeted; RAW_FILE_NAME=POS_9B.d SUBJECT_SAMPLE_FACTORS - 10B_Pos Group:Barrett's esophagus Analysis=Tissue_Untargeted; RAW_FILE_NAME=POS_10B.d SUBJECT_SAMPLE_FACTORS - 1EAC_Pos Group:Esophageal adenocarcinoma Analysis=Tissue_Untargeted; RAW_FILE_NAME=POS_11EAC.d SUBJECT_SAMPLE_FACTORS - 2EAC_Pos Group:Esophageal adenocarcinoma Analysis=Tissue_Untargeted; RAW_FILE_NAME=POS_12EAC.d SUBJECT_SAMPLE_FACTORS - 3EAC_Pos Group:Esophageal adenocarcinoma Analysis=Tissue_Untargeted; RAW_FILE_NAME=POS_13EAC.d SUBJECT_SAMPLE_FACTORS - 4EAC_Pos Group:Esophageal adenocarcinoma Analysis=Tissue_Untargeted; RAW_FILE_NAME=POS_14EAC.d SUBJECT_SAMPLE_FACTORS - 5EAC_Pos Group:Esophageal adenocarcinoma Analysis=Tissue_Untargeted; RAW_FILE_NAME=POS_15EAC.d SUBJECT_SAMPLE_FACTORS - 6EAC_Pos Group:Esophageal adenocarcinoma Analysis=Tissue_Untargeted; RAW_FILE_NAME=POS_16EAC.d SUBJECT_SAMPLE_FACTORS - 7EAC_Pos Group:Esophageal adenocarcinoma Analysis=Tissue_Untargeted; RAW_FILE_NAME=POS_17EAC.d SUBJECT_SAMPLE_FACTORS - 8EAC_Pos Group:Esophageal adenocarcinoma Analysis=Tissue_Untargeted; RAW_FILE_NAME=POS_18EAC.d SUBJECT_SAMPLE_FACTORS - 9EAC_Pos Group:Esophageal adenocarcinoma Analysis=Tissue_Untargeted; RAW_FILE_NAME=POS_19EAC.d SUBJECT_SAMPLE_FACTORS - 10EAC_Pos Group:Esophageal adenocarcinoma Analysis=Tissue_Untargeted; RAW_FILE_NAME=POS_20EAC.d SUBJECT_SAMPLE_FACTORS - 1N_Neg Group:Normal Analysis=Tissue_Untargeted; RAW_FILE_NAME=NEG_1N.d SUBJECT_SAMPLE_FACTORS - 2N_Neg Group:Normal Analysis=Tissue_Untargeted; RAW_FILE_NAME=NEG_2N.d SUBJECT_SAMPLE_FACTORS - 3N_Neg Group:Normal Analysis=Tissue_Untargeted; RAW_FILE_NAME=NEG_3N.d SUBJECT_SAMPLE_FACTORS - 4N_Neg Group:Normal Analysis=Tissue_Untargeted; RAW_FILE_NAME=NEG_4N.d SUBJECT_SAMPLE_FACTORS - 5N_Neg Group:Normal Analysis=Tissue_Untargeted; RAW_FILE_NAME=NEG_5N.d SUBJECT_SAMPLE_FACTORS - 6N_Neg Group:Normal Analysis=Tissue_Untargeted; RAW_FILE_NAME=NEG_6N.d SUBJECT_SAMPLE_FACTORS - 7N_Neg Group:Normal Analysis=Tissue_Untargeted; RAW_FILE_NAME=NEG_7N.d SUBJECT_SAMPLE_FACTORS - 8N_Neg Group:Normal Analysis=Tissue_Untargeted; RAW_FILE_NAME=NEG_8N.d SUBJECT_SAMPLE_FACTORS - 9N_Neg Group:Normal Analysis=Tissue_Untargeted; RAW_FILE_NAME=NEG_9N.d SUBJECT_SAMPLE_FACTORS - 10N_Neg Group:Normal Analysis=Tissue_Untargeted; RAW_FILE_NAME=NEG_10N.d SUBJECT_SAMPLE_FACTORS - 1B_Neg Group:Barrett's esophagus Analysis=Tissue_Untargeted; RAW_FILE_NAME=NEG_1B.d SUBJECT_SAMPLE_FACTORS - 2B_Neg Group:Barrett's esophagus Analysis=Tissue_Untargeted; RAW_FILE_NAME=NEG_2B.d SUBJECT_SAMPLE_FACTORS - 3B_Neg Group:Barrett's esophagus Analysis=Tissue_Untargeted; RAW_FILE_NAME=NEG_3B.d SUBJECT_SAMPLE_FACTORS - 4B_Neg Group:Barrett's esophagus Analysis=Tissue_Untargeted; RAW_FILE_NAME=NEG_4B.d SUBJECT_SAMPLE_FACTORS - 5B_Neg Group:Barrett's esophagus Analysis=Tissue_Untargeted; RAW_FILE_NAME=NEG_5B.d SUBJECT_SAMPLE_FACTORS - 6B_Neg Group:Barrett's esophagus Analysis=Tissue_Untargeted; RAW_FILE_NAME=NEG_6B.d SUBJECT_SAMPLE_FACTORS - 7B_Neg Group:Barrett's esophagus Analysis=Tissue_Untargeted; RAW_FILE_NAME=NEG_7B.d SUBJECT_SAMPLE_FACTORS - 8B_Neg Group:Barrett's esophagus Analysis=Tissue_Untargeted; RAW_FILE_NAME=NEG_8B.d SUBJECT_SAMPLE_FACTORS - 9B_Neg Group:Barrett's esophagus Analysis=Tissue_Untargeted; RAW_FILE_NAME=NEG_9B.d SUBJECT_SAMPLE_FACTORS - 10B_Neg Group:Barrett's esophagus Analysis=Tissue_Untargeted; RAW_FILE_NAME=NEG_10B.d SUBJECT_SAMPLE_FACTORS - 1EAC_Neg Group:Esophageal adenocarcinoma Analysis=Tissue_Untargeted; RAW_FILE_NAME=NEG_11EAC.d SUBJECT_SAMPLE_FACTORS - 2EAC_Neg Group:Esophageal adenocarcinoma Analysis=Tissue_Untargeted; RAW_FILE_NAME=NEG_12EAC.d SUBJECT_SAMPLE_FACTORS - 3EAC_Neg Group:Esophageal adenocarcinoma Analysis=Tissue_Untargeted; RAW_FILE_NAME=NEG_13EAC.d SUBJECT_SAMPLE_FACTORS - 4EAC_Neg Group:Esophageal adenocarcinoma Analysis=Tissue_Untargeted; RAW_FILE_NAME=NEG_14EAC.d SUBJECT_SAMPLE_FACTORS - 5EAC_Neg Group:Esophageal adenocarcinoma Analysis=Tissue_Untargeted; RAW_FILE_NAME=NEG_15EAC.d SUBJECT_SAMPLE_FACTORS - 6EAC_Neg Group:Esophageal adenocarcinoma Analysis=Tissue_Untargeted; RAW_FILE_NAME=NEG_16EAC.d SUBJECT_SAMPLE_FACTORS - 7EAC_Neg Group:Esophageal adenocarcinoma Analysis=Tissue_Untargeted; RAW_FILE_NAME=NEG_17EAC.d SUBJECT_SAMPLE_FACTORS - 8EAC_Neg Group:Esophageal adenocarcinoma Analysis=Tissue_Untargeted; RAW_FILE_NAME=NEG_18EAC.d SUBJECT_SAMPLE_FACTORS - 9EAC_Neg Group:Esophageal adenocarcinoma Analysis=Tissue_Untargeted; RAW_FILE_NAME=NEG_19EAC.d SUBJECT_SAMPLE_FACTORS - 10EAC_Neg Group:Esophageal adenocarcinoma Analysis=Tissue_Untargeted; RAW_FILE_NAME=NEG_20EAC.d SUBJECT_SAMPLE_FACTORS - 1N_f1 Group:Normal Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_1N.d SUBJECT_SAMPLE_FACTORS - 2N_f1 Group:Normal Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_2N.d SUBJECT_SAMPLE_FACTORS - 3N_f1 Group:Normal Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_3N.d SUBJECT_SAMPLE_FACTORS - 4N_f1 Group:Normal Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_4N.d SUBJECT_SAMPLE_FACTORS - 5N_f1 Group:Normal Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_5N.d SUBJECT_SAMPLE_FACTORS - 6N_f1 Group:Normal Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_6N.d SUBJECT_SAMPLE_FACTORS - 7N_f1 Group:Normal Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_7N.d SUBJECT_SAMPLE_FACTORS - 8N_f1 Group:Normal Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_8N.d SUBJECT_SAMPLE_FACTORS - 9N_f1 Group:Normal Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_9N.d SUBJECT_SAMPLE_FACTORS - 10N_f1 Group:Normal Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_10N.d SUBJECT_SAMPLE_FACTORS - 1B_f1 Group:Barrett's esophagus Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_1B.d SUBJECT_SAMPLE_FACTORS - 2B_f1 Group:Barrett's esophagus Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_2B.d SUBJECT_SAMPLE_FACTORS - 3B_f1 Group:Barrett's esophagus Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_3B.d SUBJECT_SAMPLE_FACTORS - 4B_f1 Group:Barrett's esophagus Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_4B.d SUBJECT_SAMPLE_FACTORS - 5B_f1 Group:Barrett's esophagus Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_5B.d SUBJECT_SAMPLE_FACTORS - 6B_f1 Group:Barrett's esophagus Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_6B.d SUBJECT_SAMPLE_FACTORS - 7B_f1 Group:Barrett's esophagus Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_7B.d SUBJECT_SAMPLE_FACTORS - 8B_f1 Group:Barrett's esophagus Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_8B.d SUBJECT_SAMPLE_FACTORS - 9B_f1 Group:Barrett's esophagus Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_9B.d SUBJECT_SAMPLE_FACTORS - 10B_f1 Group:Barrett's esophagus Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_10B.d SUBJECT_SAMPLE_FACTORS - 1EAC_f1 Group:Esophageal adenocarcinoma Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_11EAC.d SUBJECT_SAMPLE_FACTORS - 2EAC_f1 Group:Esophageal adenocarcinoma Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_12EAC.d SUBJECT_SAMPLE_FACTORS - 3EAC_f1 Group:Esophageal adenocarcinoma Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_13EAC.d SUBJECT_SAMPLE_FACTORS - 4EAC_f1 Group:Esophageal adenocarcinoma Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_14EAC.d SUBJECT_SAMPLE_FACTORS - 5EAC_f1 Group:Esophageal adenocarcinoma Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_15EAC.d SUBJECT_SAMPLE_FACTORS - 6EAC_f1 Group:Esophageal adenocarcinoma Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_16EAC.d SUBJECT_SAMPLE_FACTORS - 7EAC_f1 Group:Esophageal adenocarcinoma Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_17EAC.d SUBJECT_SAMPLE_FACTORS - 8EAC_f1 Group:Esophageal adenocarcinoma Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_18EAC.d SUBJECT_SAMPLE_FACTORS - 9EAC_f1 Group:Esophageal adenocarcinoma Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_19EAC.d SUBJECT_SAMPLE_FACTORS - 10EAC_f1 Group:Esophageal adenocarcinoma Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_20EAC.d SUBJECT_SAMPLE_FACTORS - 1N_f2 Group:Normal Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_1N.d SUBJECT_SAMPLE_FACTORS - 2N_f2 Group:Normal Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_2N.d SUBJECT_SAMPLE_FACTORS - 3N_f2 Group:Normal Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_3N.d SUBJECT_SAMPLE_FACTORS - 4N_f2 Group:Normal Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_4N.d SUBJECT_SAMPLE_FACTORS - 5N_f2 Group:Normal Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_5N.d SUBJECT_SAMPLE_FACTORS - 6N_f2 Group:Normal Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_6N.d SUBJECT_SAMPLE_FACTORS - 7N_f2 Group:Normal Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_7N.d SUBJECT_SAMPLE_FACTORS - 8N_f2 Group:Normal Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_8N.d SUBJECT_SAMPLE_FACTORS - 9N_f2 Group:Normal Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_9N.d SUBJECT_SAMPLE_FACTORS - 10N_f2 Group:Normal Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_10N.d SUBJECT_SAMPLE_FACTORS - 1B_f2 Group:Barrett's esophagus Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_1B.d SUBJECT_SAMPLE_FACTORS - 2B_f2 Group:Barrett's esophagus Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_2B.d SUBJECT_SAMPLE_FACTORS - 3B_f2 Group:Barrett's esophagus Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_3B.d SUBJECT_SAMPLE_FACTORS - 4B_f2 Group:Barrett's esophagus Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_4B.d SUBJECT_SAMPLE_FACTORS - 5B_f2 Group:Barrett's esophagus Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_5B.d SUBJECT_SAMPLE_FACTORS - 6B_f2 Group:Barrett's esophagus Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_6B.d SUBJECT_SAMPLE_FACTORS - 7B_f2 Group:Barrett's esophagus Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_7B.d SUBJECT_SAMPLE_FACTORS - 8B_f2 Group:Barrett's esophagus Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_8B.d SUBJECT_SAMPLE_FACTORS - 9B_f2 Group:Barrett's esophagus Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_9B.d SUBJECT_SAMPLE_FACTORS - 10B_f2 Group:Barrett's esophagus Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_10B.d SUBJECT_SAMPLE_FACTORS - 1EAC_f2 Group:Esophageal adenocarcinoma Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_11EAC.d SUBJECT_SAMPLE_FACTORS - 2EAC_f2 Group:Esophageal adenocarcinoma Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_12EAC.d SUBJECT_SAMPLE_FACTORS - 3EAC_f2 Group:Esophageal adenocarcinoma Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_13EAC.d SUBJECT_SAMPLE_FACTORS - 4EAC_f2 Group:Esophageal adenocarcinoma Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_14EAC.d SUBJECT_SAMPLE_FACTORS - 5EAC_f2 Group:Esophageal adenocarcinoma Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_15EAC.d SUBJECT_SAMPLE_FACTORS - 6EAC_f2 Group:Esophageal adenocarcinoma Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_16EAC.d SUBJECT_SAMPLE_FACTORS - 7EAC_f2 Group:Esophageal adenocarcinoma Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_17EAC.d SUBJECT_SAMPLE_FACTORS - 8EAC_f2 Group:Esophageal adenocarcinoma Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_18EAC.d SUBJECT_SAMPLE_FACTORS - 9EAC_f2 Group:Esophageal adenocarcinoma Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_19EAC.d SUBJECT_SAMPLE_FACTORS - 10EAC_f2 Group:Esophageal adenocarcinoma Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_20EAC.d SUBJECT_SAMPLE_FACTORS - 1N_a1 Group:Normal Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_1N.d SUBJECT_SAMPLE_FACTORS - 2N_a1 Group:Normal Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_2N.d SUBJECT_SAMPLE_FACTORS - 3N_a1 Group:Normal Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_3N.d SUBJECT_SAMPLE_FACTORS - 4N_a1 Group:Normal Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_4N.d SUBJECT_SAMPLE_FACTORS - 5N_a1 Group:Normal Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_5N.d SUBJECT_SAMPLE_FACTORS - 6N_a1 Group:Normal Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_6N.d SUBJECT_SAMPLE_FACTORS - 7N_a1 Group:Normal Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_7N.d SUBJECT_SAMPLE_FACTORS - 8N_a1 Group:Normal Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_8N.d SUBJECT_SAMPLE_FACTORS - 9N_a1 Group:Normal Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_9N.d SUBJECT_SAMPLE_FACTORS - 10N_a1 Group:Normal Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_10N.d SUBJECT_SAMPLE_FACTORS - 1B_a1 Group:Barrett's esophagus Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_1B.d SUBJECT_SAMPLE_FACTORS - 2B_a1 Group:Barrett's esophagus Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_2B.d SUBJECT_SAMPLE_FACTORS - 3B_a1 Group:Barrett's esophagus Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_3B.d SUBJECT_SAMPLE_FACTORS - 4B_a1 Group:Barrett's esophagus Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_4B.d SUBJECT_SAMPLE_FACTORS - 5B_a1 Group:Barrett's esophagus Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_5B.d SUBJECT_SAMPLE_FACTORS - 6B_a1 Group:Barrett's esophagus Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_6B.d SUBJECT_SAMPLE_FACTORS - 7B_a1 Group:Barrett's esophagus Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_7B.d SUBJECT_SAMPLE_FACTORS - 8B_a1 Group:Barrett's esophagus Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_8B.d SUBJECT_SAMPLE_FACTORS - 9B_a1 Group:Barrett's esophagus Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_9B.d SUBJECT_SAMPLE_FACTORS - 10B_a1 Group:Barrett's esophagus Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_10B.d SUBJECT_SAMPLE_FACTORS - 1EAC_a1 Group:Esophageal adenocarcinoma Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_11EAC.d SUBJECT_SAMPLE_FACTORS - 2EAC_a1 Group:Esophageal adenocarcinoma Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_12EAC.d SUBJECT_SAMPLE_FACTORS - 3EAC_a1 Group:Esophageal adenocarcinoma Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_13EAC.d SUBJECT_SAMPLE_FACTORS - 4EAC_a1 Group:Esophageal adenocarcinoma Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_14EAC.d SUBJECT_SAMPLE_FACTORS - 5EAC_a1 Group:Esophageal adenocarcinoma Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_15EAC.d SUBJECT_SAMPLE_FACTORS - 6EAC_a1 Group:Esophageal adenocarcinoma Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_16EAC.d SUBJECT_SAMPLE_FACTORS - 7EAC_a1 Group:Esophageal adenocarcinoma Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_17EAC.d SUBJECT_SAMPLE_FACTORS - 8EAC_a1 Group:Esophageal adenocarcinoma Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_18EAC.d SUBJECT_SAMPLE_FACTORS - 9EAC_a1 Group:Esophageal adenocarcinoma Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_19EAC.d SUBJECT_SAMPLE_FACTORS - 10EAC_a1 Group:Esophageal adenocarcinoma Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_20EAC.d #COLLECTION CO:COLLECTION_SUMMARY Patient biopsy samples were obtained from the PROBE-NET study and from Professor CO:COLLECTION_SUMMARY Andrew Barbour’s surgical oncology group (SOG), all participants gave written CO:COLLECTION_SUMMARY informed consent. Ten esophageal biopsies were selected for BE and EAC, as well CO:COLLECTION_SUMMARY as the healthy normal esophagus (NE), initially as determined by the CO:COLLECTION_SUMMARY endoscopist. Following endoscopic/surgical removal, biopsies were collected in CO:COLLECTION_SUMMARY screw cap tubes containing RNAlater and stored at 4°C during the operation, and CO:COLLECTION_SUMMARY at - 80°C for long-term storage. CO:SAMPLE_TYPE Esophagus #TREATMENT TR:TREATMENT_SUMMARY No treatment. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Lipids were extracted from biopsy tissues by homogenization in ice-cold methanol SP:SAMPLEPREP_SUMMARY with a steel bead, then washed and dried under nitrogen, resuspended in methanol SP:SAMPLEPREP_SUMMARY and 50µg/ml BHT. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Agilent 6550 CH:COLUMN_NAME Agilent HILIC Plus RRHD 2.1×100 mm 1.8-micron #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Agilent 6490A QQQ MS:INSTRUMENT_TYPE Triple quadrupole MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS Method F2 #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS counts MS_METABOLITE_DATA_START Samples 1B_f2 2B_f2 3B_f2 4B_f2 5B_f2 6B_f2 7B_f2 8B_f2 9B_f2 10B_f2 1EAC_f2 2EAC_f2 3EAC_f2 4EAC_f2 5EAC_f2 6EAC_f2 7EAC_f2 8EAC_f2 9EAC_f2 10EAC_f2 1N_f2 2N_f2 3N_f2 4N_f2 5N_f2 6N_f2 7N_f2 8N_f2 9N_f2 10N_f2 Factors Group:Barrett's esophagus Group:Barrett's esophagus Group:Barrett's esophagus Group:Barrett's esophagus Group:Barrett's esophagus Group:Barrett's esophagus Group:Barrett's esophagus Group:Barrett's esophagus Group:Barrett's esophagus Group:Barrett's esophagus Group:Esophageal adenocarcinoma Group:Esophageal adenocarcinoma Group:Esophageal adenocarcinoma Group:Esophageal adenocarcinoma Group:Esophageal adenocarcinoma Group:Esophageal adenocarcinoma Group:Esophageal adenocarcinoma Group:Esophageal adenocarcinoma Group:Esophageal adenocarcinoma Group:Esophageal adenocarcinoma Group:Normal Group:Normal Group:Normal Group:Normal Group:Normal Group:Normal Group:Normal Group:Normal Group:Normal Group:Normal HexCer d18:1/C14:0 2114.65417 7496.737071 3674.797974 3413.729045 5433.988602 9632.746807 11010.37448 3197.598202 2448.607956 3656.331873 926.7268317 360.0355899 2470.120297 1226.006665 3257.063501 1954.821051 2145.371341 1176.767143 1483.132529 956.4919708 7094.981429 18777.05004 7625.508916 10194.29885 5623.700112 7664.725146 11238.0779 5899.548062 10153.79288 3934.224169 HexCer d18:1/C16:0 21555.42686 27702.91403 134250.1195 40287.98769 42043.20221 23546.90462 14050.36688 36910.56783 65412.45414 26987.95339 27641.38619 4202.890567 32864.80327 33690.81312 47070.14823 44423.19791 40574.4316 27969.05476 35123.4033 25614.96215 31450.65828 15242.22836 21984.79316 12084.03647 21936.47098 25608.25012 18259.71779 14181.10168 20657.06294 2825.618189 HexCer d18:1/C18:1 5184.414135 20683.92624 35229.31323 5163.178859 22591.84104 35634.48685 22465.23024 5018.336413 11952.0167 3488.403752 9547.38415 1031.453312 8958.920124 6983.613907 2899.032934 7486.36065 7607.994281 4432.600692 6089.318411 6403.405631 32681.00188 18031.45377 27384.35872 17757.924 13347.25777 39989.69494 24790.38567 11893.89228 17798.45808 598.1980703 HexCer d18:1/C24:1 12130.77997 185167.1151 626680.5476 143323.676 276108.1378 124792.6029 83655.48645 39620.73749 290611.6303 36615.25526 62627.48357 1772.010158 68490.0817 15596.90436 36769.88422 137416.407 443253.7117 112769.6286 66161.83586 18391.70626 169344.8349 388658.473 150065.5399 153061.735 110001.925 197221.4462 144965.0369 17835.79607 26068.6282 1161.688403 LPC 14:0 1063036.221 1119482.984 4172958.524 1310805.407 1996618.268 1008099.954 1290215.13 385226.0417 508739.4374 1018058.833 552461.6194 762267.8531 712982.1103 777772.4141 361162.4558 428103.4307 727346.3404 412295.441 243649.0524 760127.4666 1151173.525 2174031.466 2856034.402 2874155.03 834059.1138 1056998.925 1310239.398 1207690.07 2274812.986 721759.8832 LPC 16:0 82545214.94 71572397.55 164576163.9 132658001.9 126314155.9 46388166.88 52381386.31 42272432.64 91581886.85 109238581.3 107100862.5 131114143.1 88795162.32 117291403.2 28937676.83 78071715.42 148541159.3 112133290.1 66731057.66 58569429.12 52068115.97 75516224.47 56645178.57 89457457.24 56816983.86 54766599.67 50596804.74 48063507.33 95617047.35 36636166.53 LPC 16:1 3055634.491 5479532.611 7878851.212 5967621.702 5143719.344 9094791.494 6446965.282 1584364.377 1994988.525 3140455.316 2341344.58 2846986.1 2940616.063 2827079.407 2928688.954 1787888.289 3583213.905 2214525.138 1002396.485 2277683.88 7150755.342 8739002.182 8089476.549 13636788.43 6863081.288 9235964.414 5878398.629 7366857.384 10726769.23 3856224.953 LPC 18:0 57036003.62 40299871.04 99026772.98 57968050.37 85638807.16 19631043.68 24486316.05 22665082.14 54814853.21 59378022.81 70688793 56840308.47 54699157.31 65278063.01 26662716.61 32740303.28 72997203.2 42356032.31 42862355.14 37036822.26 20333968.4 31353926.54 21760360.49 46070771.52 33783094.77 25216229.71 25417899.61 21634626.1 42067545.23 17225726.14 LPC 18:1 59667358.59 60367293.27 130801493.7 148347508.1 101127533.3 65703555.24 50446313.03 47297578.52 75159013.12 74491027.52 99121653.11 104189397.9 110093829 137116561.2 41533402.37 94710208.49 136757863.8 76435141.88 90103826.36 65429330.6 59235660.62 60839730.43 42175723.25 81771467.47 54616580.47 71041683.45 47555277.1 48611935.37 77239611.17 32457873.36 LPC 18:2 11268455.85 13742177.52 22769662.62 32837945.62 22466623.94 11451550.71 9791270.972 8259846.239 19356580.86 23100682.3 43357884.21 66978640.74 23598835.34 27675130.48 18179422.93 15406865.1 93528693.05 33323175.6 15528413.89 9601354.194 13273269.76 13649540.42 9316514.063 33576259.06 11310335.6 14637111.32 11065112.44 10363356.25 21781685.88 7763476.146 LPC 20:0 596703.2235 496743.8421 2005162.48 1383690.559 1479976.308 241742.2384 293994.134 235563.4001 581031.4041 551557.9578 859431.6953 520659.7005 912430.1087 1404232.981 290295.2812 619140.9992 1103478.354 565482.5044 826813.9141 419990.097 247603.6884 495699.7017 344400.5993 566381.2868 407239.0066 286594.3428 332488.6122 242806.1134 559372.8377 217633.4741 LPC 20:1 973971.8543 1512897.814 2724940.978 3396556.192 2540862.044 1575084.917 1059318.895 730054.4816 1387280.666 1447116.018 3727661.736 1275532.027 1933159.555 2934959.881 833493.5987 1737829.013 2911758.91 1974749.349 1740364.973 1100919.687 1179829.553 1693295.952 954225.7853 1506428.955 1466127.859 1627864.389 972778.3678 1436607.7 2286712.4 1099515.784 LPC 20:2 544176.4295 811620.2628 854489.6679 1463249.924 1095523.438 505323.4439 694768.7897 389781.433 696920.878 1031094.474 1216349.857 773512.1036 1084362.555 1351919.658 852730.7905 654761.7871 1361146.369 566342.8454 645186.1688 579400.0588 635186.4431 850116.2918 348561.8666 1106186.054 536438.1499 575954.7191 686327.2067 585617.4008 1313663.849 348923.0821 LPC 20:3 2157367.794 1953366.259 1118333.92 4454775.547 2923065.515 1163201.999 1299769.012 932752.1745 2394017.161 5565286.285 4602957.463 8622980.943 3036343.538 3396790.119 5316844.153 1729532.391 7926534.815 3294955.291 2261797.161 1451908.327 1636124.092 1066239.053 591068.1449 1825017.128 923316.4903 1277871.362 1203230.978 977999.7599 1720612.422 1071004.035 LPC 20:4 6264045.479 3713206.398 2056698.94 13248720.15 10956912.75 860428.8294 791972.716 3569051.213 7498476.931 15423344.31 7408419.115 19610910.51 14042544.15 11940305.26 10497412.91 9031054.229 19837473.59 8574567.576 7553201.299 3249128.012 2345491.369 721998.1848 605806.7267 960132.3328 851762.1319 2180281.413 677671.4846 1752941.743 742495.8346 2597839.31 LPC 20:5 221143.4324 577017.9731 1483940.77 1536652.109 577905.5087 181498.8334 23969.44374 95782.85795 441230.5055 855857.397 464079.3239 1324028.009 497349.2344 697408.4356 429139.3955 394523.1302 1583285.339 764312.1214 221158.0259 170703.5184 96700.81195 143426.5999 360352.256 145420.6746 107109.5145 291766.35 26538.10859 70821.19476 50333.87487 140029.8286 LPC 22:0 157561.4693 155004.3133 467365.7594 356843.7851 382610.577 88295.60548 111362.6454 110981.6954 207120.4961 365032.2058 134373.3494 177253.5729 399595.1338 375468.3344 182506.9183 286053.8827 430879.9483 211842.6286 270677.5456 104129.8707 83528.66468 138941.2732 88978.92165 161146.8938 106511.378 95130.5987 77301.4538 74325.07926 119017.3045 106614.8357 LPC 22:1 74934.1766 85407.89648 248229.7881 241132.2326 210662.9285 85020.70583 56713.5018 47322.23165 137334.8659 102994.886 210310.9743 117084.6736 110394.8089 241627.2067 73924.62449 238694.1711 240288.6234 201693.6342 161289.8194 70852.57882 81941.07805 66188.97553 52458.14876 85135.44571 65608.61632 104744.8098 54424.39384 51133.37319 96454.84176 37882.21677 LPC 22:2 21119.07764 37803.33944 51757.71467 61341.61865 54832.35261 29730.30286 37044.87708 14336.88419 41577.62874 34984.99657 28936.59814 30142.66995 36028.34616 66830.05639 23867.54944 65448.63213 57506.04256 33430.25539 43312.10038 24524.02292 32374.98075 33047.70714 17132.99641 47345.24915 23840.95916 27009.76207 33734.37601 23984.15053 54422.27766 14436.22826 LPC 22:3 60824.01163 66138.78904 56054.98046 104555.2042 100327.3118 47599.49402 66412.40345 37465.51048 80543.94356 123802.4335 65855.38863 75806.98073 76412.48107 84535.09618 123616.6816 81247.10552 60532.31602 29889.51234 57651.46315 44335.40711 75871.99691 42436.57926 28972.57526 85538.38844 38779.45994 54811.83162 57060.8282 48846.38976 87481.7821 35349.33652 LPC 22:4 460842.6829 263105.2668 223947.0405 805397.2151 717405.1453 100699.3824 140014.679 352183.5932 481830.5318 1212071.039 521826.3886 500875.0956 746324.4514 601801.4429 1470255.456 512573.486 595888.3077 317917.2709 442282.8858 259168.4406 255475.5465 106135.8897 80468.35659 198091.6395 110569.9248 181600.3963 120274.4779 217090.2553 224491.5334 251159.4539 LPC 22:5 655555.8394 776890.2744 1573540.483 2150869.815 1283558.848 367350.3336 170529.2652 364871.7992 684293.5912 1859925.276 969806.9102 1535365.717 1420288.702 1296942.194 1435022.051 806712.7999 1770433.879 979013.0884 615862.9473 459597.6142 395044.7689 365987.3108 470022.4741 652097.7197 306264.9478 560362.9882 142462.4698 280410.5209 422943.1454 339612.0716 LPC 22:6 711945.3231 1146496.349 3080390.99 1844100.339 2796519.463 1005702.394 185774.7644 379139.7996 881177.8493 2180385.104 1231727.776 840364.4897 1258469.016 1745931.475 1389720.405 773655.8844 2698246.872 866822.359 841294.0082 613499.0122 546536.0704 753137.2423 812208.7556 940059.1216 871851.897 1286339.368 178893.1991 366561.0926 545066.3234 417933.1683 LPC 24:0 340495.2024 322494.6006 1293543.378 764264.747 1083546.91 150387.2868 208433.7819 206384.7864 585799.4421 288253.2311 110373.3736 239902.7609 438840.868 665394.3299 83667.27212 466695.1681 580768.3516 227855.949 616049.3939 189983.9682 193490.0216 330458.3591 291637.7934 510641.9182 292902.9758 169306.4252 231037.2484 152468.3856 342468.3992 111117.7339 LPC 24:1 38292.0262 50272.0426 133386.0975 102605.1156 113376.4304 65501.77453 43179.41927 27806.37691 96001.87213 51503.15204 55031.09387 46539.16128 53658.04234 101303.9666 42539.20141 94997.94985 90070.43389 60839.07071 71540.84404 30353.81631 53785.97041 61261.10414 43001.87721 80771.79469 54162.00666 83387.72148 41688.19032 42864.46931 76874.71253 33026.53867 LPC 26:0 336105.1755 307833.3608 1595146.044 665974.1434 1141796.785 208580.0979 220129.7732 226899.4555 589435.2234 222477.4793 74379.8545 171588.1688 455049.9875 496556.2365 143687.2291 501624.2308 689957.2567 284183.1988 458062.7284 171459.4089 216871.6545 375794.4017 463907.9104 621708.3419 386958.6995 230832.6225 230653.7671 143805.1418 380886.4524 120515.9484 LPC 26:1 62626.30346 100292.7941 236900.2977 140496.0926 185260.572 166298.5342 91635.48833 55213.04678 177069.7656 75724.70537 26091.73373 58865.38232 75759.8885 115164.3819 47435.33557 144348.1569 139918.3614 83691.58102 84928.25312 37223.55485 95342.70214 142591.0979 148578.2652 248157.5329 140240.6438 200950.3057 92252.94697 90059.14881 182271.729 76795.02643 LPE 14:0 10257.8167 8952.738234 25218.36383 7881.947127 11292.53899 8086.884954 8363.529469 1601.991345 4350.571184 8485.36549 5648.672485 4048.464399 3787.285509 4142.33398 8664.77982 2661.21403 9868.28017 7795.508784 2014.504768 3854.644235 13072.97609 12630.47028 19035.56411 12075.47409 6047.748556 7335.958374 9801.526735 9051.302084 16377.67578 5189.000057 LPE 16:0 1013138.472 911627.8337 2757695.287 1501137.234 1884933.536 513226.4446 588289.2543 274668.0126 997954.9001 1279627.662 1607620.338 1488668.141 785562.9772 1054662.993 170980.346 730733.8764 2543378.937 2025604.078 836137.22 566311.5631 613202.0279 1034619.989 697847.7454 1019154.014 633352.4631 624293.6918 706228.3936 517631.2978 1192308.684 417273.0383 LPE 16:1 20468.10683 27550.19611 59223.15004 34836.69822 28451.76595 34581.05105 63476.57417 7991.109769 13612.8757 18499.39224 16977.22559 18369.02751 25007.10765 13854.08939 27899.72885 10747.13337 33634.466 38300.18136 5135.454909 12098.5184 73906.65391 37809.58801 30620.68202 84509.85776 56192.55497 29142.22011 56056.33867 27026.64919 95584.63591 37442.01133 LPE 18:0 1605027.508 1186279.463 3160540.226 1692674.759 2342394 706514.7037 877907.214 499738.3731 1801598.542 2350726.927 2078258.957 1060987.51 1100667.056 1218002.13 569682.2475 588162.393 1497529.917 1115018.58 940130.1819 1008452.743 682623.6237 976538.5285 733569.3442 1460956.987 969648.7162 721459.2306 943767.7578 652142.0159 1407111.347 451721.5773 LPE 18:1 774585.6743 804609.6145 1460879.831 1614211.239 1261271.085 593762.7272 546235.2401 370143.8697 1000841.026 1078258.927 2061669.232 1907444.373 1407841.37 1535251.232 400433.5311 970530.9192 2601110.294 1943376.545 826361.4687 772619.923 795326.8822 580622.2726 442339.323 882692.1315 540928.5346 661657.9309 599610.9144 406527.8545 875741.4709 389703.8196 LPE 18:2 135296.8114 200724.0342 278046.3699 243380.0674 220598.4612 124111.3981 178726.1839 78472.13253 169746.3329 246589.4712 918853.3249 486531.5246 290441.6678 193381.6911 206275.4793 112314.4625 882291.0102 418102.0408 116892.8892 107827.1963 238481.4993 200650.8431 125111.772 360415.0569 136855.4942 138852.7842 214953.6915 114150.7341 324868.292 96206.6107 LPE 20:0 25053.28865 22463.76666 76217.07947 57555.51261 78748.13319 13994.37458 23229.5608 13725.29644 51815.70959 72127.76579 51396.33123 40904.1212 34702.34858 70490.55948 9429.455758 20180.70594 84502.91556 75801.3474 34742.546 16769.10923 19353.66235 20795.75159 20989.48672 32781.41485 21817.12937 19273.54763 25104.89864 12183.43094 35831.51623 8347.727116 LPE 20:1 10744.39818 16008.01953 16642.96907 26945.88002 25112.61487 14763.80445 12730.0463 5999.928762 16122.45955 21349.43867 44836.55457 36265.79591 15275.12243 25651.66071 10339.3737 16445.58075 51496.68549 39927.40866 11062.84084 8034.308812 13632.7306 17489.89655 8971.255259 13029.28681 11269.68104 15213.59048 15274.88462 13351.67373 23832.19111 10632.96463 LPE 20:3 36062.47769 69283.26502 22506.6026 34654.84125 42582.26 36359.00471 75368.24151 13319.14451 53742.22721 77551.4905 124302.8697 69512.83749 65759.1396 35834.07145 91888.44803 22812.84114 108341.6699 68619.94174 27696.618 32726.1527 75982.1594 43397.98135 13451.52478 54793.97647 30217.83604 42714.3488 71985.48137 21098.30428 53486.64691 28929.02944 LPE 20:4 195665.7317 156411.5954 102322.4364 178116.7025 241602.3466 81920.66607 88573.91591 119916.591 334766.5958 564594.1966 369430.6358 495815.5831 540737.5842 265579.0849 338994.837 285845.8722 846341.6089 587517.6191 262593.6804 139458.9522 172406.3927 59331.11877 31562.81563 73690.74988 91504.03216 118013.9206 83594.05183 88343.91843 79716.80066 127373.662 LPE 20:5 7118.800312 30688.82604 106626.4969 20024.22639 17330.60365 20108.4886 4128.220395 3632.750962 17739.19063 21880.58368 32947.98882 23178.66248 25891.59498 13829.51703 10674.95568 12722.48817 67137.27199 52403.14238 6593.511202 10943.96853 10465.80414 19903.13885 33848.9408 16135.84457 16908.79793 26138.78634 3797.355688 4809.399904 6591.781457 4542.145637 LPE 22:0 55185.13013 69156.95096 166345.054 155463.3122 167371.4446 48147.41798 73728.14461 36103.23084 141114.547 200574.1762 55205.45752 93971.22957 87397.14664 195274.7084 16845.41963 57748.54499 220319.022 134153.7963 74177.80747 29165.48209 65970.77961 71420.70824 70251.01906 95409.98845 78462.03009 58666.89995 86030.66466 35519.62523 116692.6045 24821.26779 LPE 22:1 4094.073999 5472.694193 5912.158595 7854.225028 10039.01004 8664.449314 8797.672769 2122.167359 6813.217688 7064.66053 10896.84057 13188.99324 3760.164731 7939.709734 4288.94995 5077.764826 20639.5199 17438.19306 4878.198295 1040.065094 9196.826645 9897.375081 5634.04832 6173.116916 6894.471366 8665.049204 10795.73314 5717.396263 11173.68785 4962.364932 LPE 22:4 43515.09553 26562.56656 11392.10556 35728.24091 40823.22367 7320.406869 21919.4128 25072.1069 41465.50152 93149.0173 39998.42671 25964.99125 79823.45049 44657.4413 93046.40483 41342.07025 68925.56733 54643.49959 31928.85219 26282.01804 27612.54911 12318.05582 3049.655257 16089.69234 6708.211354 12218.80965 18241.36103 16792.20033 24857.57934 26714.6154 LPE 22:5 48513.30583 65053.57446 99855.55744 80134.60763 71246.36061 20769.68664 19347.35494 21963.30134 56276.84432 112270.2379 83459.22266 49321.4454 178448.5995 95345.50845 105626.0867 62928.58707 148399.4854 141000.4136 56637.58381 46099.52701 59097.23509 50258.34784 34090.94859 57994.88989 19584.86015 37436.92369 22966.45278 21433.07061 44683.33705 28452.15136 LPE 22:6 117387.2179 196033.938 342131.0544 167363.8548 323261.7281 115404.64 45731.69038 43092.62484 158452.1625 278311.3516 196496.8224 59491.68431 353384.6207 250104.1644 179905.7656 125316.7091 427522.8414 198731.9468 135432.3007 97083.09105 109424.983 142227.2139 95945.81575 138462.8381 94514.60215 198865.2155 45500.84834 41663.50463 90004.92595 60752.37828 LPE 24:0 7293.064379 14279.89666 22960.25554 19376.63817 25102.91431 9720.201541 16440.52436 6229.861637 16240.32446 16448.22247 4907.479272 8677.529708 10152.79472 19498.17302 1483.590697 7811.174564 19864.07357 12050.43568 9825.751038 3058.101845 11978.5457 18833.0662 15193.80221 25004.25161 17379.1995 13709.71037 18051.44577 10041.84357 21715.7822 3035.966366 LPE 24:1 2561.908108 5003.135384 5569.097665 4651.768176 7136.384526 7485.706379 10599.84984 1371.116122 6704.740247 4007.338003 4051.85623 6469.023855 3967.507458 6025.9004 2862.394925 3405.230914 10828.25784 9270.913443 2515.308395 1346.651447 7136.368319 9709.288825 6118.956901 12798.52567 5982.177429 9271.619955 11807.03191 6518.771837 11400.07226 2875.433153 PC(O-32:0) 9913753.933 18555783.19 20083099.39 21947123.35 15674130.3 14539978.08 22950463.19 9763597.66 14220976.19 42130305.21 14831732.67 12948806.8 15473139.51 17449098.55 55776632.17 20439539.54 22089629.41 16419849.69 10950972.19 9737022.58 16256973.42 39769696.77 12446758.75 14984345.25 10591725.55 13410659.2 19921910.77 23870793.19 19202160.84 10169730.45 PC(O-32:1) / PC(P-32:0) 848969.8219 2012077.189 1404291.82 2450323.448 1260092.393 1874167.086 2495914.61 1199671.299 1332616.022 3854919.582 1077391.947 909870.1507 2054472.563 1602215.185 4815878.508 1773789.681 2621224.041 1181360.65 975279.3141 860517.3065 1679456.898 4041897.989 1802751.019 1430575.933 1330520.44 1507003.23 1673610.669 3160080.692 1659311.667 1519891.336 PC(O-32:2) / PC(P-32:1) 106601.1598 432431.1375 136154.2479 368693.4608 271037.6291 1038900.782 741047.9043 192463.7779 221642.2951 466864.6462 73551.79413 94744.7027 190162.5758 191304.8325 428709.7017 146457.2618 125540.9001 63218.24142 88043.32517 60348.52803 611843.1379 802358.0238 864782.8824 609532.2872 899075.4593 641800.0144 618930.9001 710589.7861 552538.7828 480746.049 PC(O-34:0) 2675575.192 5863385.46 5413441.66 5904228.691 4794256.778 4298154.6 7847446.996 2633208.058 3051720.165 12080574.34 3614841.066 3710826.139 5471337.972 4595894.839 10470024.1 5718088.093 6363871.91 4293728.909 3190860.243 2879941.974 4803180.36 11168088.32 4169621.928 3344609.214 3762884.187 3479387.865 6964106.808 7647758.157 4731765.056 3981935.317 PC(O-34:1) / PC(P-34:0) 4524167.854 7435458.761 7089451.589 8572525.434 6108793.359 9065389.068 12254024.49 5694137.261 4401689.049 16729120.87 5609362.121 7143567.046 7307377.12 7097207.839 18439159.4 9009519.968 10556520.14 7482790.947 4758277.899 5616857.018 7756193.417 15867661.88 6635649.801 5366336.086 6749196.886 6879708.876 9080597.715 13679312.73 7519108.076 7480610.671 PC(O-34:2) / PC(P-34:1) 1809183.548 4527304.914 3362963.682 4432522.082 3823040.571 16275303.29 8795601.271 3294755.161 3951036.941 7346972.321 2627406.892 3477022.721 3450635.698 3783011.384 8318187.169 3580426.139 6542702.496 4173561.922 2878281.809 1864790.193 7603808.049 10165252.7 8322477.093 7387887.818 12827527.41 9265848.013 8019826.593 9144486.481 6672580.452 4255236.079 PC(O-34:3) / PC(P-34:2) 350030.5524 1074614.668 854398.5084 1210915.448 819889.9614 3097496.539 2539840.352 714512.8156 1586673.215 1566733.633 556007.0322 365721.2648 844914.3549 860466.5375 1318028.285 639427.1672 1220536.259 527043.882 795301.5943 296575.3639 2185005.717 3273345.97 2767950.668 2777337.195 3665990.754 1972018.231 2365917.304 2299506.931 2595160.494 1010323.68 PC(O-34:4) / PC(P-34:3) 39237.11386 69568.09519 76032.89013 96452.86391 45529.89673 195061.1935 136777.1514 51754.79649 85755.14606 91346.62813 30416.25205 29742.47781 38990.72495 51640.95893 89086.95505 43978.08096 51830.98292 21804.30589 31389.78488 19613.45328 97526.39101 147284.5577 202000.6851 122631.2788 126616.7134 96378.51951 131485.8999 83491.54293 76815.58102 41328.64984 PC(O-36:0) 433264.6841 585404.4926 686491.3816 460402.6503 452617.6978 442484.5494 1184922.834 323181.6272 333256.8746 1538698.005 363772.5512 310423.4893 447248.5961 490653.199 1295991.029 497288.5647 454739.5233 356388.0581 368734.3956 385487.9238 649719.7724 1226559.406 480124.6743 252594.1709 572143.938 311789.9491 1002924.26 1173815.546 564663.6793 722549.5894 PC(O-36:1) / PC(P-36:0) 1975342.711 2535848.869 2965425.151 2571185.228 2284980.234 2832017.35 5039677.707 1993445.228 1562066.378 7227498.19 2003600.756 1903337.767 2320957.28 2353173.649 6368809.591 2508496.936 2478739.488 2023557.783 1802170.554 2337570.205 3126336.862 4860185.369 2126375.935 1747836.146 2852035.462 2083980.777 4800215.984 5929277.81 2312442.801 3491220.933 PC(O-36:2) / PC(P-36:1) 1645227.976 1992636.96 2642569.466 2824524.618 2476464.769 3128646.416 3832754.477 2647089.059 1897783.028 7164113.69 2893195.308 3177791.052 3169556.188 2679350.141 7717264.347 2606988.13 5114005.983 4226459.825 1910552.43 2088479.349 2711971.779 3534943.173 2146313.133 1802900.58 2317609.26 2184574.017 3253730.223 4906046.85 2134572.742 2951646.939 PC(O-36:3) / PC(P-36:2) 725041.5646 1110103.136 1000108.346 1710290.829 1108377.151 3132615.682 2022554.76 1595226.328 949472.3952 2747780.993 1344662.96 2055091.775 1653446.464 1894092.826 5017560.01 1222653.332 2992798.006 1821324.574 912891.1733 904044.1109 1602483.861 2085725.946 1164351.95 1401044.012 1695054.845 1495990.969 1770458.146 2290194.152 1394139.405 1090178.16 PC(O-36:4) / PC(P-36:3) 1942742.541 2220444.071 1079474.029 3065166.603 2055547.167 3793624.198 2903543.459 2423378.484 2545901.145 8820025.704 3708191.15 4483864.297 2508242.792 4252917.896 10755489.87 3257215.929 4754886.106 4069131.441 2537868.793 1869086.127 2734135.417 3077208.45 1364542.133 1645985.859 2881325.892 2341118.296 2494744.984 3889249.708 1695441.513 1690811.574 PC(O-36:5) / PC(P-36:4) 6730472.474 4507024.763 1435833.11 9850956.084 3828326.036 5305087.746 4312694.646 8835056.568 6087269.215 35615565.67 10994202.33 13512274.18 3994713.55 9703002.671 10201487.37 9295115.878 7369134.302 5710976.351 6815649.37 4856287.729 6537301.317 3033074.502 2438410.796 1717552.11 4130614.516 4730953.141 2568247.272 13877031.22 2832241.736 4609497.357 PC(O-36:6) / PC(P-36:5) 580219.0861 1261408.314 1290483.491 2086234.998 866041.8909 2084059.238 500490.2656 643446.5708 912537.6141 3126351.555 884519.4678 1167654.804 926453.4542 1107447.877 2217034.486 1129613.583 1618629.456 1126856.232 770547.0283 531366.0379 586435.842 1434220.724 2418646.951 770229.5753 1384990.549 1051300.205 411050.5792 846011.0137 545290.893 464426.0941 PC(O-38:0) 228081.5377 682003.5158 1086612.337 872228.7436 411776.6224 697198.495 216453.6268 207600.9426 239909.8516 1218720.666 454470.0168 501560.0256 370071.1593 503647.168 868068.6686 323579.3945 684498.3175 453347.331 224404.9095 240354.3151 349555.0851 754630.0681 1030512.243 495637.5317 483205.7911 580180.1585 189597.2648 349620.9394 210203.5435 179107.7048 PC(O-38:1) / PC(P-38:0) 89022.91783 150488.5879 214686.9908 108570.6571 129407.2973 158386.4939 376493.4871 101471.29 74135.70481 510569.5404 140368.2093 55656.92436 88644.83689 109535.3637 846302.9508 102541.5968 118884.349 68994.07638 72320.65123 89760.12005 149027.6115 299577.969 182141.9445 100217.1645 188559.4669 109815.9542 292318.9747 363570.6669 146047.4133 246197.4988 PC(O-38:2) / PC(P-38:1) 141723.9916 236536.5488 304342.1179 311216.1011 263684.7666 274700.4162 471717.9866 221589.6766 206483.9746 869315.7939 355812.5579 190760.0492 230953.4209 309578.6466 1640835.84 219993.9889 339949.2693 276691.4089 200756.6279 248565.6732 229003.2048 487106.186 194713.8416 169188.1607 225000.5593 184189.3876 385814.2879 534368.377 252536.5265 343650.4508 PC(O-38:3) / PC(P-38:2) 367615.0262 437758.7151 277939.8736 622059.1977 432307.3306 315175.3892 497391.6685 393915.3371 399332.0008 1638598.187 775170.1835 412175.3097 560504.9265 593532.389 2201651.687 455670.3415 806003.4707 754202.7459 382766.9588 470145.5072 308715.964 466717.5968 171547.9262 192299.0435 215714.8557 230968.8217 381185.1954 533261.4659 238026.6461 352345.659 PC(O-38:4) / PC(P-38:3) 1689697.993 1439557.771 853530.4753 2556348.245 1917128.555 986258.3392 992730.4717 2015552.699 1674861.795 7834474.369 3338541.734 4720627.597 2382362.152 3339018.384 8086251.13 2816598.479 4581994.064 3229893.453 1971010.793 1940088.942 1015412.328 1149001.612 400131.5422 572684.6753 664758.6579 983428.4543 863358.74 1741371.401 627062.318 1061607.728 PC(O-38:5) / PC(P-38:4) 3965719.19 4541453.46 1602471.732 5849799.152 3521299.369 1814135.131 1393746.835 5555712.931 2555035.378 19028428.28 8804960.101 17883873.51 5207677.297 9339290.618 13711842.56 6917712.56 8761077.966 7466983.918 4677476.839 3649950.031 3409015.951 1817694.308 775232.1197 1065903.609 1572511.042 1860391.855 1180200.869 4452721.244 1238437.326 2020190.284 PC(O-38:6) / PC(P-38:5) 1430822.282 3616037.886 1420773.096 5196725.115 1819783.148 2058515.795 1003563.053 2714842.882 1363390.464 10233222.58 4158179.121 9975226.545 3456759.236 6044293.615 3688316.855 5164174.894 4549088.95 4521456.188 2845621.538 1403854.223 2202284.172 2262058.849 1515217.347 1136234.024 1570215.341 1744200.192 1011774.595 2655998.496 809622.8665 1032316.11 PC(O-38:7) / PC(P-38:6) 12306.70126 25936.1589 15375.84965 24124.65571 18459.68369 19392.11115 12260.72346 11739.27489 13199.94685 54709.21135 24216.10663 24557.11161 15449.22077 25590.99901 32400.75397 19367.56651 26874.18393 11653.22306 17658.2571 11675.58684 18271.38418 18853.51404 15885.79691 15253.09172 20111.61123 14823.14544 10361.77794 15846.69849 9996.934542 11761.06134 PC(O-40:0) 718999.7644 928026.8678 2454479.794 1592457.458 1366333.05 1121131.775 304987.7298 699665.0928 523304.4992 2681761.98 1709070.298 1399925.029 929967.6435 1884649.808 1071784.926 1400602.81 1712284.715 1026784.073 831792.3954 1208735.705 455294.5322 963322.9996 732377.8288 659821.6957 872335.6601 930304.2648 249380.2132 647493.3702 498662.2471 206793.0923 PC(O-40:1) / PC(P-40:0) 507504.9778 539997.5944 1089012.072 967770.5891 900980.9091 587415.9321 181602.8081 493423.737 313962.8978 2190522.921 1601272.121 2386649.316 677266.7542 1198144.342 1359431.29 871237.7089 1463087.884 732052.8772 547784.1302 522552.8658 350777.5692 578383.0433 497416.7304 470031.4742 477139.2464 481061.1711 185561.9533 389682.3529 288788.7941 100366.8062 PC(O-40:2) / PC(P-40:1) 73249.42605 142853.9189 209435.442 199604.5559 135022.8205 78110.86974 92241.69774 106015.4559 75554.52652 440057.8447 201397.6794 303348.2571 128664.6986 209627.7099 1269709.956 143308.5714 240969.7422 134074.1254 71622.38173 81431.83424 57087.9731 121166.8103 97243.3441 68039.94948 57178.74339 67159.09951 74310.18982 105988.8083 58599.71388 48589.03006 PC(O-40:3) / PC(P-40:2) 56895.74698 90774.31279 83122.68749 94311.90125 73277.45448 52499.82956 102919.8851 79957.78495 68573.05174 301643.7008 146698.9517 75742.01368 93525.41384 136408.1454 879578.7919 70344.21272 155369.7693 67163.2989 51724.18886 62167.18202 56133.07713 100844.7769 43146.45207 47141.43969 36717.93074 45112.26213 76320.64823 107194.994 54730.92521 43684.09614 PC(O-40:4) / PC(P-40:3) 197880.0154 207240.7048 96488.95271 270787.4046 208467.1176 78462.04468 165766.0105 285344.4612 199188.2154 1135075.452 522270.1912 325515.1713 237488.9611 633165.938 1578358.412 331838.2327 463553.3351 245891.1872 194747.5296 270443.6909 120253.0508 148012.3765 51918.01227 71672.39617 65735.50569 102022.1413 133714.6778 307903.2958 94455.8729 116993.9932 PC(O-40:5) / PC(P-40:4) 342903.7833 525340.2502 320838.876 726644.6691 400734.1807 168221.8654 230166.7954 612624.9591 293617.0672 2182688.288 1173580.909 804022.795 597769.4136 1245286.657 2562353.599 788301.3908 1076056.523 691300.4476 478456.418 524308.1014 244047.2308 297920.5172 154843.1814 146623.9265 97401.96585 199101.7945 163680.2246 452944.2264 148328.5629 181729.4189 PC(O-40:6) / PC(P-40:5) 402178.2359 927006.5788 609997.1231 1123918.04 664853.2821 416726.7742 239173.8132 672294.5191 375886.9259 2748003.79 1464693.365 1395436.907 976700.3629 1784272.989 2356182.829 1203256.55 1623519.355 1051708.318 635629.253 712335.6521 399473.8677 603163.2357 337293.7258 257612.573 306618.7542 448578.6723 171199.651 561677.1484 226890.7392 253412.6027 PC(O-40:7) / PC(P-40:6) 432005.2227 1164771.602 461904.0652 1448036.769 1046473.103 694659.4837 238388.9782 667932.7805 364237.5095 2773462.327 1804636.248 1702860.884 1276691.131 2783131.541 2166601.956 1409711.568 2333256.488 1242951.22 877775.3494 564088.5975 492436.3178 553441.8291 335569.1529 302700.8577 455709.8314 633024.3265 137631.8329 557354.5695 217023.918 175006.9644 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name class cl uns source Precursor Mz Product Mz HexCer d18:1/C14:0 CerHex 32 1 F_2 672.7 264.4 HexCer d18:1/C16:0 CerHex 34 1 F_2 700.7 264.4 HexCer d18:1/C18:1 CerHex 36 2 F_2 726.7 264.4 HexCer d18:1/C24:1 CerHex 42 2 F_2 810.7 264.4 LPC 14:0 LPC 14 0 F_2 468.3 184.1 LPC 16:0 LPC 16 0 F_2 496.3 184.1 LPC 16:1 LPC 16 1 F_2 494.3 184.1 LPC 18:0 LPC 18 0 F_2 524.4 184.1 LPC 18:1 LPC 18 1 F_2 522.4 184.1 LPC 18:2 LPC 18 2 F_2 520.3 184.1 LPC 20:0 LPC 20 0 F_2 552.4 184.1 LPC 20:1 LPC 20 1 F_2 550.4 184.1 LPC 20:2 LPC 20 2 F_2 548.4 184.1 LPC 20:3 LPC 20 3 F_2 546.4 184.1 LPC 20:4 LPC 20 4 F_2 544.3 184.1 LPC 20:5 LPC 20 5 F_2 542.3 184.1 LPC 22:0 LPC 22 0 F_2 580.4 184.1 LPC 22:1 LPC 22 1 F_2 578.4 184.1 LPC 22:2 LPC 22 2 F_2 576.4 184.1 LPC 22:3 LPC 22 3 F_2 574.4 184.1 LPC 22:4 LPC 22 4 F_2 572.4 184.1 LPC 22:5 LPC 22 5 F_2 570.4 184.1 LPC 22:6 LPC 22 6 F_2 568.3 184.1 LPC 24:0 LPC 24 0 F_2 608.5 184.1 LPC 24:1 LPC 24 1 F_2 606.4 184.1 LPC 26:0 LPC 26 0 F_2 636.5 184.1 LPC 26:1 LPC 26 1 F_2 634.5 184.1 LPE 14:0 LPE 14 0 F_2 426.31 285.29 LPE 16:0 LPE 16 0 F_2 454.31 313.29 LPE 16:1 LPE 16 1 F_2 452.294 311.274 LPE 18:0 LPE 18 0 F_2 482.31 341.29 LPE 18:1 LPE 18 1 F_2 480.294 339.274 LPE 18:2 LPE 18 2 F_2 478.294 337.294 LPE 20:0 LPE 20 0 F_2 510.31 369.31 LPE 20:1 LPE 20 1 F_2 508.294 367.294 LPE 20:3 LPE 20 3 F_2 504.294 363.294 LPE 20:4 LPE 20 4 F_2 502.294 361.294 LPE 20:5 LPE 20 5 F_2 500.294 359.294 LPE 22:0 LPE 22 0 F_2 538.31 397.29 LPE 22:1 LPE 22 1 F_2 536.294 395.294 LPE 22:4 LPE 22 4 F_2 530.294 389.294 LPE 22:5 LPE 22 5 F_2 528.294 387.294 LPE 22:6 LPE 22 6 F_2 526.294 385.294 LPE 24:0 LPE 24 0 F_2 566.31 425.29 LPE 24:1 LPE 24 1 F_2 564.294 423.274 PC(O-32:0) PC-op F_2 720.6 184.1 PC(O-32:1) / PC(P-32:0) PC-op F_2 718.5 184.1 PC(O-32:2) / PC(P-32:1) PC-op F_2 716.6 184.1 PC(O-34:0) PC-op F_2 748.6 184.1 PC(O-34:1) / PC(P-34:0) PC-op F_2 746.6 184.1 PC(O-34:2) / PC(P-34:1) PC-op F_2 744.6 184.1 PC(O-34:3) / PC(P-34:2) PC-op F_2 742.5 184.1 PC(O-34:4) / PC(P-34:3) PC-op F_2 740.6 184.1 PC(O-36:0) PC-op F_2 776.6 184.1 PC(O-36:1) / PC(P-36:0) PC-op F_2 774.6 184.1 PC(O-36:2) / PC(P-36:1) PC-op F_2 772.6 184.1 PC(O-36:3) / PC(P-36:2) PC-op F_2 770.6 184.1 PC(O-36:4) / PC(P-36:3) PC-op F_2 768.6 184.1 PC(O-36:5) / PC(P-36:4) PC-op F_2 766.6 184.1 PC(O-36:6) / PC(P-36:5) PC-op F_2 764.6 184.1 PC(O-38:0) PC-op F_2 804.6 184.1 PC(O-38:1) / PC(P-38:0) PC-op F_2 802.6 184.1 PC(O-38:2) / PC(P-38:1) PC-op F_2 800.6 184.1 PC(O-38:3) / PC(P-38:2) PC-op F_2 798.6 184.1 PC(O-38:4) / PC(P-38:3) PC-op F_2 796.6 184.1 PC(O-38:5) / PC(P-38:4) PC-op F_2 794.6 184.1 PC(O-38:6) / PC(P-38:5) PC-op F_2 792.6 184.1 PC(O-38:7) / PC(P-38:6) PC-op F_2 790.6 184.4 PC(O-40:0) PC-op F_2 832.6 184.1 PC(O-40:1) / PC(P-40:0) PC-op F_2 830.6 184.1 PC(O-40:2) / PC(P-40:1) PC-op F_2 828.6 184.1 PC(O-40:3) / PC(P-40:2) PC-op F_2 826.6 184.1 PC(O-40:4) / PC(P-40:3) PC-op F_2 824.6 184.1 PC(O-40:5) / PC(P-40:4) PC-op F_2 822.6 184.1 PC(O-40:6) / PC(P-40:5) PC-op F_2 820.6 184.1 PC(O-40:7) / PC(P-40:6) PC-op F_2 818.6 184.1 METABOLITES_END #END