#METABOLOMICS WORKBENCH jeffmolendijk_20210822_185056 DATATRACK_ID:2807 STUDY_ID:ST001942 ANALYSIS_ID:AN003186 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 NEGATIVE MS:MS_COMMENTS Method A1 #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS counts MS_METABOLITE_DATA_START Samples 1B_a1 2B_a1 3B_a1 4B_a1 5B_a1 6B_a1 7B_a1 8B_a1 9B_a1 10B_a1 1EAC_a1 2EAC_a1 3EAC_a1 4EAC_a1 5EAC_a1 6EAC_a1 7EAC_a1 8EAC_a1 9EAC_a1 10EAC_a1 1N_a1 2N_a1 3N_a1 4N_a1 5N_a1 6N_a1 7N_a1 8N_a1 9N_a1 10N_a1 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 PE 32:0 98255.50863 104838.2144 145475.5142 114029.1516 81517.06853 138315.8433 191519.8637 59334.3354 45520.51806 159391.7197 100533.7607 125688.3821 52388.27777 72052.74615 72873.08493 99833.11919 154681.1794 161094.582 54457.63577 36801.67951 158469.6866 200570.4968 123492.958 134779.8 94575.11593 92594.78818 127977.8386 156272.3246 154537.825 117357.0159 PE 32:1 97262.51473 185274.8128 215284.4177 84854.34092 79942.50291 360544.1311 300830.0694 40215.90945 37417.11981 108298.3813 75160.79246 91424.29193 39152.34792 33438.22135 86746.52769 67200.69522 110822.1274 234640.7394 26613.43083 53849.56775 244778.657 448442.2386 392755.5008 268800.5252 244529.1813 169090.7297 203371.8209 377490.1979 354032.7081 249951.3081 PE 32:2 14948.54668 21147.20757 25939.09291 9376.149621 12760.73228 41241.38525 48934.79619 7288.593865 5450.747364 17379.55904 15811.68774 13808.84653 9169.594226 5698.59364 27203.17774 7831.450582 19094.29184 28758.13776 3529.160413 8124.001866 39331.22239 44633.86989 50923.59625 35110.04509 25527.52116 21614.43209 23904.59166 61400.59814 33605.56836 37948.00564 PE 34:1 1231762.172 1134229.861 1461844.711 1238561.711 867723.4094 1719449.311 1279047.239 540425.1535 949282.9265 1132313.543 1581884.523 2530183.443 587140.2567 821469.2621 514218.4058 908630.4118 2486865.369 2829468.485 789751.4224 701048.4316 1020245.184 1692749.481 1315889.847 1014389.833 1287351.915 1030315.691 1104186.342 1314667.127 1447923.802 1136576.566 PE 34:2 409209.7606 311825.2026 624504.3731 545403.9716 386200.0777 377253.7025 380447.9812 211427.0893 392234.1576 655901.9928 1506049.084 1670465.596 354237.1489 304850.4897 222588.399 506377.6055 2742813.867 2403963.194 386696.829 284637.9244 362487.4083 575747.1808 388297.3147 430520.0753 288979.7277 223870.7596 324353.3051 458773.5579 497433.9959 484146.4824 PE 34:3 52392.11861 25509.7913 84404.17688 42492.56807 24574.53576 39642.73111 32019.44019 21336.07433 15925.79952 33048.95236 55251.61555 47504.98268 23364.04917 18174.33927 18373.92015 22456.43052 66901.77307 86893.63284 13925.2402 20350.20865 32310.14273 41287.00088 36871.50224 42699.05079 28545.04444 21898.57467 27281.66932 51022.36103 44043.26013 41875.13869 PE 36:0 151956.9488 85396.38781 195330.2904 150612.578 144058.1582 97069.33742 111834.3742 104072.7875 221950.9895 165272.552 272615.5502 217169.0246 125674.7693 232268.6578 143543.4959 136283.046 227140.5686 219683.2931 159144.8178 80207.30063 68344.72609 70325.55581 57664.32538 83764.91408 122650.2716 61523.86708 87144.44557 98544.98451 112557.1088 68941.41567 PE 36:1 1982742.003 1103179.194 2272381.871 2036379.927 2020609.228 1484627.398 1131646.073 1103542.254 2372196.123 1794453.366 3544464.2 3142949.525 1650742.185 2872712.506 1811885.701 1680468.225 3188557.258 3222221.012 1591297.567 1130604.593 895998.7686 1054458.912 1012021.784 1015376.369 1474320.188 922903.4971 1021962.803 1168289.137 1478440.053 1108798.645 PE 36:2 1542779.689 883202.7798 1587514.99 1471197.847 1118995.255 1063627.308 784765.1555 862918.0564 1102600.408 1945888.539 4670959.077 3354118.701 1337124.016 1413923.987 909837.3605 1606551.525 3907282.843 3508511.251 1138053.434 1261094.844 762461.3586 1287467.498 916124.8616 1222705.773 742506.1255 723161.0616 779932.8105 1093386.933 1055045.684 790769.8905 PE 36:3 420178.0796 205316.2629 412621.5742 440600.555 242572.5076 213600.0616 168147.5094 258750.8689 313365.0391 564934.0032 1248902.228 1209635.382 523615.7811 423480.259 183787.153 414432.3866 1757076.101 2129793.849 405355.333 332386.2751 161628.5735 198219.1174 132779.7164 248652.3599 132492.8128 136071.4023 157916.0814 275681.3171 235926.8264 177266.0256 PE 36:4 241089.8418 104942.9873 129808.7246 199884.0761 153650.6017 79498.47955 71706.56595 116148.3326 171086.582 383267.3752 541638.1792 1018449.885 170513.9224 192640.6182 129429.5224 274743.5439 822882.4741 972527.8098 270454.9608 115802.8606 84513.91491 79513.18111 54918.79945 74852.10273 62749.22442 79049.72541 58135.39417 110546.005 64566.72151 115945.6281 PE 36:5 30260.18254 31132.06807 73014.54427 31365.63085 23374.91016 16563.12202 15242.09492 14880.76786 26877.75497 56471.80948 65626.44113 122497.1624 18770.37682 20978.97931 21924.64909 28236.12384 100623.6439 138234.84 21243.99251 17196.81779 13999.37916 26316.44857 37076.26863 12301.19608 18495.00777 18079.44645 13553.24695 24125.46041 13397.03734 20342.54919 PE 38:0 45908.77617 29421.04548 74241.31587 49875.95891 52091.11911 38207.93645 13507.91877 24712.84684 27655.44374 65052.56593 50176.1715 33028.82719 45178.63069 65366.84932 22425.81929 27406.69006 88130.50162 49924.9071 33849.03333 21337.47869 20743.2434 34840.06993 23469.84266 24473.41043 33185.31227 29021.03535 10387.14144 22668.86573 21844.16931 34039.91324 PE 38:1 47432.65046 26216.60563 55466.87453 63621.60353 62570.28209 29256.08772 40521.8527 34613.47618 86314.54852 52087.37214 119248.1319 136819.0954 53766.15759 128493.0932 28395.00377 57650.16409 158519.543 195661.5263 77912.15818 21227.70433 23938.92126 26185.30005 29116.72776 25751.89819 33946.43902 22747.50312 28457.62961 28447.58741 38606.46244 23281.94877 PE 38:2 53275.08549 28779.51275 28116.48525 37669.96103 44348.74458 47138.27863 42244.60728 32260.50762 49715.68393 78408.96013 128701.6956 145755.1037 30165.43556 63085.47027 51833.99119 38767.37387 126672.9671 123110.0727 48770.50241 28460.92572 36914.99902 39815.45249 26780.73463 31481.99838 25168.35866 28589.22261 36022.1617 47148.699 49258.10691 44700.2944 PE 38:3 314172.5424 200570.0491 101542.0744 173911.88 138035.3991 142719.5671 147232.6977 126200.3068 240760.9655 402438.3328 477986.073 348468.7336 129252.9672 143087.1235 201751.9388 130382.1741 253688.6701 199899.8866 169737.0057 147499.6827 163889.9327 136024.77 67338.78483 129963.9014 106461.9059 122031.5395 122714.9593 166525.9202 168725.6875 147822.0481 PE 38:4 979947.4458 506435.2837 412686.476 739835.755 553856.6505 262934.0574 208745.5059 554581.2462 803159.5602 1523287.353 1668083.45 1555633.589 647684.1334 811025.4001 619462.5994 679458.3083 1024818.02 1090427.216 844500.0825 579828.8706 328478.0377 235235.0136 120597.6214 211563.1426 256085.6534 249874.7046 173206.6116 572694.6589 188838.2397 484332.1287 PE 38:5 139767.3298 132873.8393 207510.1981 201675.0365 136524.6919 75824.95462 39571.00639 131030.8809 167420.759 372031.5864 302093.0942 735889.032 142236.6925 192136.7732 94999.59424 243117.4294 607048.0111 901913.0642 176041.4871 102822.2173 51378.97071 68266.42073 86159.97858 52555.69462 42372.80066 56182.54647 34527.83911 71153.18384 46641.68551 85323.51068 PE 38:6 97996.94512 84679.09619 244424.061 119168.47 132263.5123 82014.74683 29814.12397 40288.91112 65919.51214 209745.4113 163409.1723 126733.8328 58444.88425 92605.54444 37255.9712 89536.69978 230276.7416 181252.1552 86114.18114 52437.18426 44821.62797 96826.85152 94993.54074 51132.53817 75989.8523 78383.46005 24217.62254 53370.99776 32143.8916 53230.5034 PE 40:5 130047.8175 98146.44779 210989.4446 141138.3319 101653.4457 50120.52133 35604.86367 69557.24042 87379.1708 156986.7991 176968.7292 124269.2384 82391.00074 102037.8333 116156.2464 59178.82109 127077.0054 112973.3166 65841.31568 66166.6705 55956.4477 74827.97756 58143.11739 71446.28804 32970.37305 43871.33436 33236.87235 59584.74269 58255.11728 47880.08213 PE 40:6 132156.2104 106828.9001 405881.9659 94536.92508 176574.8541 105483.5222 31454.07212 46643.61773 99670.80894 173252.6128 201020.7497 73134.09507 66934.044 125078.791 93269.4743 63624.04427 168745.8912 116782.1757 79743.80734 77973.35744 47577.5258 126007.9143 101192.2412 87580.33289 105837.5587 85804.06047 27700.56709 60459.67708 74408.54506 56155.6225 PE 40:7 26766.8245 29850.6145 64742.74404 33259.35896 46264.4965 22294.10766 7354.54399 15075.73574 20520.69347 47482.75096 48330.81318 24295.97741 26274.38578 33736.25683 18987.23491 23471.01922 71544.03359 41172.83137 17110.03488 19133.60109 14216.70237 21634.34302 17588.83128 14952.29338 18883.94539 16180.73015 5976.528732 10633.62997 10909.58742 14356.64639 PE(O-32:0) 34893.69563 56474.22268 48565.64798 59521.17301 38172.72531 62801.19757 141278.2487 20493.8843 14455.51261 30304.1364 40612.05633 47257.33691 38832.09996 32168.41548 58135.74231 35593.39722 51676.49608 71147.01096 16829.99259 21934.59528 106168.3757 133042.4319 74178.88589 74955.81101 40689.57537 54812.92325 113269.9571 114158.1642 135951.9352 92161.48234 PE(O-32:1) / PE(P-32:0) 11119.60621 42232.35733 16790.48187 16460.57993 20896.29208 78286.94345 69234.74626 8274.116451 5624.886325 10455.52561 13725.38401 14919.54521 12869.82651 8230.438991 42406.11365 9740.202016 26810.02976 19488.28906 5817.349104 9162.31349 52676.06513 67537.35886 67761.11553 53139.59836 71424.02229 47661.76838 65706.01933 97358.44639 93026.42784 92661.29927 PE(O-34:0) 61553.24378 66517.11126 110240.1904 104448.4009 59796.09086 80513.38426 123450.1184 34731.88133 28378.71408 65097.45778 81550.09761 78653.48154 87076.38382 101071.8877 60153.57106 77470.01879 118607.5271 127328.6707 38813.70465 44017.4209 81500.48052 114344.9897 60604.83107 56493.99466 59755.89343 52373.21627 109741.3146 121240.7337 102798.2669 87701.21123 PE(O-34:1) / PE(P-34:0) 114880.5921 197314.0287 150376.2377 151738.3512 146451.0236 437847.9176 329120.3646 89209.82495 59507.04279 145374.774 164269.4891 268642.2712 163009.9134 149244.9054 250667.8511 147089.7704 302131.4667 277622.4824 66779.49658 80178.63344 244115.5645 289990.0384 209314.1687 191224.1193 322309.2632 253558.7601 294356.4166 383256.6999 364760.3357 393886.6845 PE(O-34:2) / PE(P-34:1) 73920.28139 104839.0204 65176.69541 66311.31405 58726.00658 184390.0593 156794.4615 51241.83287 53564.55074 91735.42644 69020.93666 64405.69401 55913.22422 61669.07366 95358.45684 50194.29196 120233.4329 71237.91766 41092.48016 44625.02548 117119.2407 160072.4524 111626.2936 115086.5568 189917.8719 123741.9939 124040.1995 195902.2089 193877.1254 203280.3069 PE(O-34:2) / PE(P-34:1) NEG 25575.78195 30168.96303 21096.90832 26374.8585 23532.73163 65021.49365 51582.69853 18521.0586 25241.24451 37535.99965 19240.19909 16267.50929 18763.7204 20763.4618 17284.18435 18458.28871 23501.09557 14579.32712 17594.81397 14368.55481 43554.47967 63319.9528 33692.35335 34357.07071 56838.86122 32912.94886 33453.17592 48384.11613 58197.1301 86256.50229 PE(O-34:3) / PE(P-34:2) 29766.43627 45082.98704 39733.91051 29713.87392 26108.96182 54015.25657 74521.98476 30270.7669 30184.41638 39126.45376 36331.73211 15557.19598 19322.86004 22595.36064 24586.72903 12567.95404 29759.50921 12585.96711 11604.10535 19069.97391 49473.54244 94130.5618 55250.03921 59665.37635 70036.68735 38760.96707 74283.5224 86636.83419 97315.47934 95879.16829 PE(O-36:0) 16293.62706 11043.06712 26052.35294 7796.33007 11301.11178 14281.37863 24762.93141 6261.228857 6269.002595 16565.09262 15196.5683 11544.44483 10575.57895 11311.75691 10877.24936 7957.145176 28129.42374 15805.90886 7652.920424 7166.797411 12100.79572 21249.15878 12469.67134 9732.891095 14157.14359 7262.432387 17062.84863 20879.89373 16350.38422 16063.1642 PE(O-36:1) / PE(P-36:0) 105250.4767 85896.88005 153046.1203 84803.89133 82022.46213 119116.6317 165770.8695 51025.49864 76691.39207 118993.3302 132263.4356 112204.2926 97836.86345 101321.3832 100220.1171 75379.12309 185594.2875 175630.432 60744.07532 75951.97097 87299.75885 128393.3717 78074.71716 54635.08915 109958.6227 65333.89714 161869.7147 211537.3842 121677.0919 113610.769 PE(O-36:2) / PE(P-36:1) 70817.51928 60825.52317 93491.70386 64509.1426 57481.6801 75017.94663 67723.29087 45098.1189 47952.52695 83396.23089 109037.7161 94642.20398 91060.62354 78038.69648 87151.79494 50972.54472 190016.4168 116365.8493 40713.59941 56814.87388 58079.19918 80212.29568 33949.06417 48698.4439 52259.07411 49288.23969 66231.54562 119657.0536 78870.55831 85228.30745 PE(O-36:3) / PE(P-36:2) 67904.5538 46728.72803 77347.695 66095.50191 64817.18541 84671.3188 70169.41201 48115.22463 44301.54533 78509.43237 80655.76497 80100.80051 58817.64401 52158.15 68978.18819 43670.21569 96566.54227 64882.35341 30084.54326 37846.28393 56263.60924 53490.00954 38704.61318 62362.66305 70285.12359 51315.03011 70202.69648 106530.5938 80127.2804 73822.96105 PE(O-36:4) / PE(P-36:3) 49726.71393 47304.17322 23041.41766 25778.80595 54471.2128 119447.4231 97248.06822 33975.15667 40041.07734 81692.4783 56817.76066 187891.9566 31904.9811 39751.33113 99735.18851 44281.37742 111266.5695 77904.40919 24668.82344 29592.93011 61384.39425 62303.80991 37557.3191 47052.18394 148481.1269 72349.27945 79660.6465 97849.6805 85255.1464 85297.32979 PE(O-36:5) / PE(P-36:4) 98168.86235 61656.45312 67118.65958 74819.54388 57763.56931 95454.29733 90950.02013 75675.13672 116297.122 165184.906 109494.0951 88627.52598 43953.10902 80250.17796 82724.01817 78512.45599 101052.7604 74833.34362 67928.68973 39585.8929 71528.42551 82993.26397 91348.39774 53950.96312 114864.0752 77745.18903 74999.45677 140541.8352 68248.90722 119677.5946 PE(O-38:1) / PE(P-38:0) 14585.4575 11623.34798 21525.76935 12947.7937 15260.3324 8025.018496 17042.89694 7878.839099 14132.95977 21353.55661 32846.52772 17292.19925 9627.408295 17703.50147 33934.94526 11479.60445 32787.00984 28361.57374 8245.166725 9839.838046 6700.228471 14075.23128 7376.10721 5966.276185 12104.5206 6779.529973 16739.91653 15922.33952 13329.05237 10465.21455 PE(O-38:2) / PE(P-38:1) 14376.40615 10696.51049 16421.43232 9948.845886 10403.44516 8088.514048 14231.28533 8044.42826 7328.67775 20147.88978 23896.11467 18469.62882 8220.683967 8897.378315 22020.55203 8913.026217 24239.51036 25036.2329 7296.003778 8163.157051 8649.292505 14224.96779 3313.903239 6554.537422 7463.322297 5843.819065 11947.72604 14978.97451 11459.46582 13478.39663 PE(O-38:3) / PE(P-38:2) 27235.81469 19016.28731 10545.90899 12976.7555 14493.11937 19839.28768 20367.52774 14153.42192 14433.74524 33606.89393 28943.2122 29466.88031 14553.16225 15763.84387 30309.19547 12712.46519 29420.953 23024.42805 10101.91771 14476.93077 12486.67275 12396.11712 5090.552863 8612.144502 15810.59375 9706.338516 18056.77879 17361.82654 13876.93121 16808.12944 PE(O-38:4) / PE(P-38:3) 105056.5541 62530.90414 38457.50811 59687.46981 85531.93719 86628.41558 70051.38904 66178.68738 75821.68669 162794.9494 115652.3761 195592.7019 89830.66426 116747.3888 167581.8767 86940.01506 190869.0769 161196.0286 63189.93488 69223.5718 57140.6025 43773.6595 27813.60043 41261.07888 94491.37338 56092.26472 77901.27587 84530.14859 58211.12701 75234.34887 PE(O-38:5) / PE(P-38:4) 173596.514 92656.34611 95030.2587 131677.1654 121449.5488 111400.898 81449.1714 104882.928 122589.8708 244536.595 178523.5357 348105.4209 132567.8665 155786.1531 148743.1367 142148.5429 332866.2408 347401.9404 131543.0024 73030.71442 92119.37154 91145.12573 83969.27926 76337.13554 95432.08138 81907.94781 64552.14638 137913.3661 97785.37543 139303.7395 PE(O-38:6) / PE(P-38:5) 58372.08742 68705.25366 123688.865 76843.13297 66028.67043 92536.5743 47182.53587 50791.35913 71880.80327 138713.6785 87159.87352 203846.5721 56195.75245 92206.54581 55103.1986 76618.00514 225203.9714 212049.7651 59060.68385 42709.91737 41869.79702 84982.1778 104326.221 64191.93762 76323.89204 74511.84244 30672.45636 68976.84565 59485.84511 58442.87999 PE(O-38:7) / PE(P-38:6) 78489.1536 36405.37037 101427.5417 84977.66214 76200.40084 46917.06831 51339.03821 47470.67327 91850.38651 74915.94667 129224.6889 104982.5269 59936.66289 97271.20731 67744.59797 50406.54271 100120.6859 110152.5738 55082.04379 36711.48274 33688.51945 46006.28239 31345.82078 32471.14876 58640.25655 33330.76442 43488.44323 42481.97493 56077.59882 38174.1133 PE(O-40:0) 39844.91175 35334.26862 99341.77549 48676.37979 65187.56411 33183.59486 12035.48709 25172.22322 30641.53115 57679.61401 71760.62762 31434.70026 35447.67802 36394.30613 24475.35788 36149.61461 90930.90488 42279.52166 29612.31509 26808.01752 19296.41843 33276.6143 23500.70818 20754.72792 20775.59659 18647.73161 8063.401259 17647.76879 17794.06496 12616.80745 PE(O-40:4) / PE(P-40:3) 14337.89669 7109.246464 6416.371803 7133.011394 9839.666744 2262.285076 4299.272059 10515.80197 7298.005547 23664.41802 16463.65765 14250.75335 12128.00501 11541.83642 24036.06055 8620.993269 18500.77354 15015.4158 10518.45121 7994.649912 4224.968483 3901.410403 2549.793337 1939.083335 2376.427521 3385.215906 4070.163061 5154.292255 2495.448149 8296.961093 PE(O-40:5) / PE(P-40:4) 25072.40831 20630.59642 39462.84998 23655.25193 21072.35881 10756.35136 7913.24948 19829.74713 18158.93381 45719.14257 32146.36873 32122.76993 33765.08188 39687.25836 33279.86632 22269.77029 45721.80776 42569.36912 16900.59149 19689.46489 12454.15983 12057.40282 11972.05888 12025.80267 7374.927381 10222.13428 7400.78115 16558.9887 16022.45674 19269.13282 PE(O-40:6) / PE(P-40:5) 25806.83871 22070.82127 51047.18805 23476.80987 21445.4743 17419.28785 8203.547904 13827.58519 13511.60029 32183.18097 26189.34797 14974.41283 24211.63386 33449.87094 20350.75813 14941.85074 52568.16676 35793.52605 11040.09861 16973.07387 12613.30202 18001.42566 16633.50569 12595.76245 17948.82023 15359.09619 6427.415059 15932.11532 15020.67828 16629.6234 PE(O-40:7) / PE(P-40:6) 34930.82975 29494.38653 65037.98368 40198.98026 43934.57726 30656.06223 10713.43952 20728.02381 18652.65734 61773.32318 47513.01613 19298.57483 37818.10466 51761.09296 22766.12003 27749.15137 76767.27329 46027.77628 27815.96538 27593.91803 14890.91767 29461.9478 19220.1871 23310.83193 27477.79214 25825.48111 9217.274208 17116.20949 17665.09348 25845.29561 PG 16:0/18:1 402425.3259 489438.4434 560909.0433 733390.1007 470149.1647 414344.6133 431369.4204 404186.603 663370.2506 1217248.709 971364.1632 1119427.203 554825.2515 724696.7944 404343.5113 799463.1348 1219443.631 1335803.884 683718.9672 434428.8089 362166.5017 825531.439 452555.1533 446071.6856 431028.1967 472764.7328 428950.0756 536005.7732 491935.4238 334164.9162 PG 16:1/16:0 4568.025137 16855.63407 13234.73269 5295.287212 11673.65876 30629.957 22983.01163 4691.964329 2769.079619 27844.71957 6444.444047 6357.66692 3481.083797 3055.864725 10141.80219 5526.549402 6521.307841 17689.99035 2608.073325 3455.283396 15144.14362 31134.01199 30920.78258 20159.50101 32757.61822 19900.20701 23241.16197 26475.54062 16069.78748 17186.24664 PG 18:0/16:0 17448.95607 22094.75035 43614.46 25198.72025 22044.73195 14790.62571 16330.99334 13537.89487 24060.03923 48232.68282 33484.42248 32072.89684 18977.85726 25793.21755 28453.84021 23569.59685 45368.90554 40405.90705 23344.04839 19922.21967 13103.44974 32317.26922 20477.67407 17790.52739 17189.15034 16289.75967 16711.95762 17610.5276 16818.19829 10616.30398 PG 18:0/18:0 5958.293657 12894.16784 7674.283723 8415.034109 8131.641324 14921.12289 18006.90118 5264.449502 5482.387242 27372.25292 7643.896811 6669.552468 3112.14842 4445.146238 14038.28259 6036.521865 6319.780221 8313.025089 12669.29071 6951.50207 11799.79703 32685.17273 14745.08022 18933.38407 19992.54882 15592.66055 19945.47594 16548.31935 20553.01814 14323.58473 PG 18:1/16:1 8880.805663 11703.30786 21590.36252 16094.58099 15814.47327 26271.54041 23040.69686 9060.612483 6779.086157 29772.24658 7734.775373 11170.56739 8632.790288 9103.12153 20618.28384 10524.64908 51282.48165 22947.76037 4992.657748 7056.434754 13725.38399 17443.45594 14408.718 14550.38848 18811.89868 19164.74552 19224.17102 21034.67392 11551.70113 15936.78617 PG 18:1/18:0 99963.56503 216633.8699 116480.2717 108773.7027 115277.0918 233105.7837 273086.4516 86573.72549 65685.46871 479567.349 128681.8798 104148.4472 49926.77492 82571.43371 149220.3923 96647.17253 154798.4034 124271.3882 204278.3447 115701.5454 168163.1691 566741.8608 226444.675 354526.5869 321195.7134 268498.2491 290872.3876 302383.3958 345887.4604 265892.5874 PG 18:1/18:1 29375.62904 28160.87591 40187.78763 47066.76558 48657.16651 73617.4293 55670.04583 36111.39911 28949.84901 159864.9128 59260.75615 140992.9263 32045.31029 61318.33823 106209.0092 58018.60623 72102.80394 102573.3606 42174.04263 30944.76396 41057.47586 38171.0544 27373.82134 29238.3755 64313.92751 52587.141 57638.2411 53993.37308 30281.70102 46127.28592 PG 18:2/16:0 24296.33886 31943.75487 50035.73162 41975.78038 38179.94817 32049.35021 31868.05569 26198.95628 44836.50217 138145.1414 70600.38114 116158.04 32702.84834 40251.03489 33313.79182 47836.71038 183739.659 119085.0769 45866.88048 16983.52795 29021.21889 46448.17311 33848.43312 43843.97869 35004.26217 32097.24951 42458.15979 36461.77345 34650.4998 29261.62453 PG 18:2/16:1 7554.154341 4726.72103 25002.07852 12546.35204 12932.40176 8989.175118 10112.37331 3956.527803 6639.656167 17638.7551 4986.059507 5126.785285 6475.708448 8155.442973 13267.50562 3308.353963 10473.13852 7766.763269 1950.256933 3970.721967 6563.770944 7001.530482 6276.836577 10825.58719 8443.249497 7172.667695 11497.8396 7524.712745 8054.952201 6791.886303 PG 18:2/18:0 22878.14084 34595.85929 28468.63457 26144.03117 29101.07677 35427.14671 36331.07116 22135.51859 25162.93046 135601.3535 38602.47228 37932.74645 20727.32502 22534.92258 52587.27269 23159.40161 58669.72849 31295.72081 46612.19489 19712.93085 35687.60453 52147.1263 36576.14304 58583.67472 45714.81441 36465.0797 45214.26192 44971.97941 41617.69147 48529.62029 PG 18:2/18:1 44883.48476 19976.7387 104732.8677 78566.8224 101562.4464 26966.57972 25855.12907 22441.59124 63145.05428 108235.9479 57975.47363 68736.10917 51384.66471 96478.11393 66729.00166 29826.92201 67140.18628 65691.15986 36316.94667 24063.60138 17456.0972 14987.45143 13045.22395 24851.87422 25200.63102 19377.38267 32950.48417 19782.891 18947.68353 17802.75675 PG 18:2/18:2 145390.8992 64127.85149 333239.7341 272924.2933 364823.1805 12619.45529 15244.08209 81558.44499 494286.2892 294319.3364 294302.2886 184651.5716 250649.9345 426273.718 124798.9326 88345.3382 229744.6361 211965.4661 161360.0419 107682.8433 17788.92571 13003.04525 8934.531181 25299.7268 13988.07006 13662.48515 19890.48142 14027.05005 20297.8482 14263.98875 PG 20:4/16:0 11091.11538 7373.81833 3795.596367 10990.34376 10074.55903 4931.469413 4037.966376 13945.70434 8559.607141 106685.0248 12575.14068 22237.17294 8893.127751 9298.619228 17484.46697 18072.61107 26604.79476 13950.32004 20535.67841 6629.785378 6570.909357 4247.225835 3352.795067 2975.458914 5564.446421 6733.144507 5330.48324 8772.069794 3062.696963 20642.81329 PG 20:4/18:1 2287.115846 1700.75167 1000.415505 2177.748985 2967.449132 4221.299992 2779.517456 3317.655042 3533.155969 34250.40878 3287.495911 15588.94598 1609.629345 4657.975292 16326.27316 4405.903393 7292.780763 7411.057897 5603.035459 2201.856714 2270.907701 1122.176726 1792.969418 1353.198399 4321.819904 3848.294052 3004.772999 3393.165242 1581.001395 5530.095626 PG 20:4/18:2 2313.493709 1483.776482 1216.452076 1949.151601 4163.889548 1988.663504 2693.748622 2245.969694 5188.189961 12568.29774 2509.979327 12741.99073 2886.026738 4547.747867 8141.838795 3531.928847 7869.023803 5877.078482 4029.125404 1236.130085 1798.880128 1149.165786 990.3196623 1200.700652 1845.863329 1760.28489 3121.935235 1946.644146 1340.299852 2059.143745 PI 32:0 131706.2648 393133.7972 336813.9665 369791.0246 128584.2367 366453.838 519173.9283 56310.93214 203725.5895 179380.349 101056.5412 571641.6015 520476.3286 381379.0925 58759.1491 420376.7015 1010942.289 1770115.674 451089.3719 196382.052 325114.1991 1033313.33 744662.0767 462819.0084 365341.2362 243916.4657 586350.7877 260082.5617 445338.8472 207529.0205 PI 32:1 113751.8993 328130.244 418341.6616 298402.2849 137270.8909 547072.6733 380694.5022 80270.81952 74225.05661 196559.136 115778.2831 77921.44633 104202.5595 92500.68969 67151.0643 163335.9176 118647.8684 207485.2363 64492.29725 112905.4698 395626.3988 710469.0648 538549.8616 469899.3671 453112.7794 344252.6132 354738.4299 336493.3783 420103.9941 357255.0218 PI 32:2 7273.147827 10270.55429 21145.16287 10218.60782 6339.392765 20670.27265 20845.29051 3553.268571 2341.393319 10468.3712 5060.186407 3688.531972 6541.698045 2246.032175 5651.633735 8137.659644 4811.751464 1389.489509 3430.45875 3097.607898 17242.48698 20951.07317 17491.6574 20644.3337 13805.25226 14729.33947 19843.89045 11424.66233 14135.97317 10980.3078 PI 34:0 1023898.971 1318616.949 3322821.866 2396500.24 1259142.949 2147066.176 1467557.857 764435.7839 1342078.708 2211840.038 2260089.371 1760175.015 2169087.07 1720945.531 874278.8771 2315429.354 3470060.327 4475913.013 1483524.099 1242854.297 1349692.804 2550326.549 1765280.618 1469141.068 1568657.497 1537608.276 1568644.589 1249946.074 1559947.914 1271459.889 PI 34:1 494987.1013 437213.7424 1146090.763 1015938.53 577005.9508 373616.0178 308563.6052 272115.9172 499898.3051 1055477.048 752672.5293 500857.2932 704938.585 528907.5704 204617.4781 604845.4952 1078230.026 617726.3193 464548.5842 420020.151 419677.3632 515499.0985 378221.0327 583619.0205 337035.4975 351424.5253 400599.069 300971.1426 497065.1395 307238.0756 PI 34:2 57635.27989 30901.50577 69916.01278 40465.15755 20802.905 21867.19227 19124.23155 12154.54138 15401.38559 31264.22856 18183.17334 10744.81579 17686.12492 10028.55724 15386.92705 25536.3174 14571.10171 11571.48641 8116.76157 15483.202 21459.46916 24561.2281 19263.55093 24622.326 15460.87243 14112.84748 20435.33026 14284.01414 19686.23824 12125.25954 PI 36:0 827413.6672 863055.688 2927889.601 2341328.717 947887.2334 1589371.859 958645.2753 1097002.879 1437370.888 2093508.853 2902300.62 1556295.958 3020104.993 2429056.292 2053552.865 2871105.175 3854537.775 4255925.219 1754918.138 1322073.886 974380.5907 1833722.086 1351069.254 1140424.485 1140637.858 1259395.913 1162592.388 873194.6115 1169411.231 962627.7037 PI 36:1 890014.66 900254.2017 2838910.45 2360944.331 1107779.943 861749.5597 663895.6466 1083082.92 2074896.004 2499953.013 2171083.89 1268927.943 2801499.533 1579788.146 1777242.026 1932196.801 3564686.845 2607062.436 1192495.531 971350.0132 787255.9084 1026598.658 818158.507 1063733.158 646024.884 756451.45 803938.3815 581394.5362 951534.2429 682483.4775 PI 36:2 319509.243 342587.8327 430074.3919 379830.4479 255663.4601 308598.6517 279637.1384 164420.1753 325978.093 862988.2651 508104.6353 348872.5505 330044.7728 239139.5566 395464.2809 415292.6559 707290.058 483864.0958 229007.0522 238984.2387 270138.9656 409180.674 206699.641 317021.6496 235915.6153 263275.311 284195.7905 218897.8498 316488.8701 237825.1254 PI 36:3 278147.1027 267553.8992 294098.0617 438915.5236 399687.875 207705.2484 172551.1928 231279.4996 556662.1999 1147919.075 476049.3441 901871.9932 204926.125 316399.7627 309636.0627 789920.9145 1291646.166 651125.3192 531607.3849 250281.3969 212116.044 336959.9026 196194.1568 212755.4658 262337.6718 229981.4205 197373.9355 225284.5351 266655.295 284114.4617 PI 38:1 82295.47275 130091.6121 102220.521 139686.5465 77871.42556 166313.8137 164939.6917 56246.62636 115200.3423 243712.7472 214727.5129 70292.15254 118731.8195 84465.89859 219114.4171 78326.39674 169295.2932 119706.7991 71759.01192 87976.2568 109939.2623 272809.6979 121198.5665 141795.9819 126280.8896 121508.7421 183308.6101 91331.32515 155936.2938 138619.3679 PI 38:2 777847.7744 1029186.752 802165.5491 1445579.219 902776.4595 926711.9652 1125573.367 650938.3141 1286885.37 2514173.214 1584015.985 936841.4207 1185281.348 774951.0433 1742930.259 1080738.107 1963249.724 1277565.845 891254.9458 765222.0257 859365.5833 1263330.371 591769.6061 838906.8717 775044.0967 911538.2338 1090058.474 646570.3643 877675.3714 853343.9646 PI 38:3 2612019.704 3148592.041 2874000.335 6017865.101 4282322.36 1220707.383 1191441.657 3149413.277 5332430.315 11074342.27 4827127.518 5021557.056 3830041.549 3628038.248 5715563.84 6908330.148 11841332.5 7531635.348 4839561.612 2367422.22 1880169.793 1804221.318 1086318.465 1280417.249 1635757.462 1974729.341 1331965.846 1655492.723 1522452.479 2522180.31 PI 38:4 261703.9329 304787.9943 1191723.286 571899.9583 345052.8607 160611.1431 100627.5054 285332.2518 399935.9744 1416053.938 450194.177 507146.3413 339748.2916 359181.2531 610222.1648 626178.683 1027387.69 717496.2218 382280.5709 255147.1084 172828.2403 206903.0158 281440.855 153916.1701 123394.2077 196179.0487 103046.3602 177378.7721 140176.5772 300665.1302 PI 38:5 82835.42248 118269.7113 337877.9141 109177.3286 167042.4943 166422.7171 42243.95266 26568.01044 88833.94283 209171.41 107398.7768 39242.39448 72581.87435 86969.69793 65468.6931 117079.8668 218729.9363 113790.0794 103480.7332 59447.14293 55721.14876 155063.8616 184811.9044 81861.07098 149163.6437 145625.0444 37478.60699 44929.45821 50317.89294 55673.52922 PI 40:3 50796.74598 58011.81957 72273.26203 124631.993 66800.21493 48805.00832 46085.86329 61609.42985 85895.91845 229161.7725 110411.5418 53762.74836 101421.0989 81877.2247 238969.1259 123373.749 149892.752 109265.6966 81488.32636 62809.20044 40975.71707 68472.17973 43243.99258 42308.06581 50511.40886 52876.23494 48658.42301 49151.7627 49778.29529 67921.1041 PI 40:4 76512.78525 130600.4253 337890.656 216122.9954 120634.1611 92876.28096 46050.92206 83607.243 129332.6458 309153.8494 146765.7074 87509.69599 141137.1353 143301.2537 205502.2185 169294.0502 256578.181 226876.8721 107185.2686 96993.3434 57672.37338 150276.5035 183374.8087 86038.26604 77200.98453 102563.6609 46759.58993 58279.34745 66788.82228 69639.5343 PI 40:5 111696.6068 193741.2953 668189.6952 185958.9113 309522.2698 206430.9769 42528.35805 62376.61284 167365.394 346911.0408 195621.6296 46495.54062 135169.0748 198103.4957 152343.277 164979.3834 297208.3426 137953.8145 135704.792 136339.0912 66627.35791 199991.9795 287558.1272 111499.8419 173582.0683 184410.8648 44643.80126 51123.47095 74710.34672 74574.25627 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name class cl uns source Precursor Mz Product Mz PE 32:0 PE 32 0 A 692.5 551.5 PE 32:1 PE 32 1 A 690.5 549.5 PE 32:2 PE 32 2 A 688.5 547.5 PE 34:1 PE 34 1 A 718.5 577.5 PE 34:2 PE 34 2 A 716.5 575.5 PE 34:3 PE 34 3 A 714.5 573.5 PE 36:0 PE 36 0 A 748.6 607.6 PE 36:1 PE 36 1 A 746.6 605.6 PE 36:2 PE 36 2 A 744.6 603.5 PE 36:3 PE 36 3 A 742.5 601.5 PE 36:4 PE 36 4 A 740.5 599.5 PE 36:5 PE 36 5 A 738.5 597.5 PE 38:0 PE 38 0 A 776.6 635.6 PE 38:1 PE 38 1 A 774.6 633.6 PE 38:2 PE 38 2 A 772.6 631.6 PE 38:3 PE 38 3 A 770.6 629.6 PE 38:4 PE 38 4 A 768.6 627.5 PE 38:5 PE 38 5 A 766.5 625.5 PE 38:6 PE 38 6 A 764.5 623.5 PE 40:5 PE 40 5 A 794.6 653.6 PE 40:6 PE 40 6 A 792.6 651.5 PE 40:7 PE 40 7 A 790.5 649.5 PE(O-32:0) PE-op A 678.5 537.5 PE(O-32:1) / PE(P-32:0) PE-op A 676.5 535.5 PE(O-34:0) PE-op A 706.6 565.5 PE(O-34:1) / PE(P-34:0) PE-op A 704.6 563.5 PE(O-34:2) / PE(P-34:1) PE-op A 702.5 561.5 PE(O-34:2) / PE(P-34:1) NEG PE-op A 700.5 196 PE(O-34:3) / PE(P-34:2) PE-op A 700.5 559.5 PE(O-36:0) PE-op A 734.5 593.5 PE(O-36:1) / PE(P-36:0) PE-op A 732.5 591.5 PE(O-36:2) / PE(P-36:1) PE-op A 730.5 589.5 PE(O-36:3) / PE(P-36:2) PE-op A 728.6 587.5 PE(O-36:4) / PE(P-36:3) PE-op A 726.5 585.5 PE(O-36:5) / PE(P-36:4) PE-op A 724.5 583.5 PE(O-38:1) / PE(P-38:0) PE-op A 760.6 619.6 PE(O-38:2) / PE(P-38:1) PE-op A 758.6 617.6 PE(O-38:3) / PE(P-38:2) PE-op A 756.6 615.6 PE(O-38:4) / PE(P-38:3) PE-op A 754.6 613.6 PE(O-38:5) / PE(P-38:4) PE-op A 752.6 611.5 PE(O-38:6) / PE(P-38:5) PE-op A 750.5 609.6 PE(O-38:7) / PE(P-38:6) PE-op A 748.5 607.5 PE(O-40:0) PE-op A 790.6 649.6 PE(O-40:4) / PE(P-40:3) PE-op A 782.6 641.6 PE(O-40:5) / PE(P-40:4) PE-op A 780.6 639.6 PE(O-40:6) / PE(P-40:5) PE-op A 778.5 637.5 PE(O-40:7) / PE(P-40:6) PE-op A 776.6 635.5 PG 16:0/18:1 PG 34 1 A 747.5 281.3 PG 16:1/16:0 PG 32 1 A 719.5 253.3 PG 18:0/16:0 PG 34 0 A 749.5 283.3 PG 18:0/18:0 PG 36 0 A 777.6 283.3 PG 18:1/16:1 PG 34 2 A 745.5 281.3 PG 18:1/18:0 PG 36 1 A 775.5 281.3 PG 18:1/18:1 PG 36 2 A 773.5 281.3 PG 18:2/16:0 PG 34 2 A 745.5 279.3 PG 18:2/16:1 PG 34 3 A 743.5 279.3 PG 18:2/18:0 PG 36 2 A 773.5 279.3 PG 18:2/18:1 PG 36 3 A 771.5 279.3 PG 18:2/18:2 PG 36 4 A 769.5 279.3 PG 20:4/16:0 PG 36 4 A 769.5 303.3 PG 20:4/18:1 PG 38 5 A 795.5 303.3 PG 20:4/18:2 PG 38 6 A 793.5 279.3 PI 32:0 PI 32 0 A 809.7 241.1 PI 32:1 PI 32 1 A 807.7 241.1 PI 32:2 PI 32 2 A 805.7 241.1 PI 34:0 PI 34 0 A 835.7 241.1 PI 34:1 PI 34 1 A 833.7 241.1 PI 34:2 PI 34 2 A 831.7 241.1 PI 36:0 PI 36 0 A 863.8 241.1 PI 36:1 PI 36 1 A 861.8 241.1 PI 36:2 PI 36 2 A 859.8 241.1 PI 36:3 PI 36 3 A 857.7 241.1 PI 38:1 PI 38 1 A 889.8 241.1 PI 38:2 PI 38 2 A 887.8 241.1 PI 38:3 PI 38 3 A 885.8 241.1 PI 38:4 PI 38 4 A 883.8 241.1 PI 38:5 PI 38 5 A 881.8 241.1 PI 40:3 PI 40 3 A 913.8 241.1 PI 40:4 PI 40 4 A 911.8 241.1 PI 40:5 PI 40 5 A 909.8 241.1 METABOLITES_END #END