#METABOLOMICS WORKBENCH ThomasS_20220601_210455 DATATRACK_ID:3291 STUDY_ID:ST002183 ANALYSIS_ID:AN003576 PROJECT_ID:PR001390 VERSION 1 CREATED_ON June 1, 2022, 9:31 pm #PROJECT PR:PROJECT_TITLE Individualized exercise intervention for people with multiple myeloma improves PR:PROJECT_TITLE quality of life in a randomized controlled trial PR:PROJECT_TYPE MS untargeted metabolomics analysis PR:PROJECT_SUMMARY Although new treatments have improved survival for multiple myeloma (MM), PR:PROJECT_SUMMARY quality of life remains poor for people with this incurable cancer. We conducted PR:PROJECT_SUMMARY a multi-site randomized, waitlist-controlled trial of an individualized exercise PR:PROJECT_SUMMARY program for people at all stages of MM (n=60). Compared to the waitlist control PR:PROJECT_SUMMARY group, participants of the 12-week intervention had significant improvement in PR:PROJECT_SUMMARY health-related quality of life, mediated through improved MM symptoms, PR:PROJECT_SUMMARY cardiorespiratory fitness and bone pain, with were mostly maintained at PR:PROJECT_SUMMARY follow-up (up to 12 months). Exploratory plasma metabolomics and lipidomics was PR:PROJECT_SUMMARY conducted to delineate molecular mechanisms and biomarkers PR:INSTITUTE QIMR Berghofer Medical Research Institute PR:LABORATORY Precision & Systems Biomedicine PR:LAST_NAME Stoll PR:FIRST_NAME Thomas PR:ADDRESS 300 Herston Road, Herston, Queensland, 4006, Australia PR:EMAIL thomas.stoll@qimrberghofer.edu.au PR:PHONE +61 7 3845 3992 #STUDY ST:STUDY_TITLE Individualized exercise intervention for people with multiple myeloma improves ST:STUDY_TITLE quality of life in a randomized controlled trial ST:STUDY_SUMMARY Although new treatments have improved survival for multiple myeloma (MM), ST:STUDY_SUMMARY quality of life remains poor for people with this incurable cancer. We conducted ST:STUDY_SUMMARY a multi-site randomized, waitlist-controlled trial of an individualized exercise ST:STUDY_SUMMARY program for people at all stages of MM (n=60). Compared to the waitlist control ST:STUDY_SUMMARY group, participants of the 12-week intervention had significant improvement in ST:STUDY_SUMMARY health-related quality of life, mediated through improved MM symptoms, ST:STUDY_SUMMARY cardiorespiratory fitness and bone pain, with were mostly maintained at ST:STUDY_SUMMARY follow-up (up to 12 months). Exploratory plasma metabolomics and lipidomics was ST:STUDY_SUMMARY conducted to delineate molecular mechanisms and biomarkers ST:INSTITUTE QIMR Berghofer Medical Research Institute ST:LABORATORY Precision & Systems Biomedicine ST:LAST_NAME Stoll ST:FIRST_NAME Thomas ST:ADDRESS 300 Herston Road ST:EMAIL thomas.stoll@qimrberghofer.edu.au ST:PHONE +61 7 3845 3992 #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 - MM001_0_p1 Group:waitlist | Time_point:- RAW_FILE_NAME=MM001_0_p1_MetRPpos; RAW_FILE_NAME=MM001_0_p1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM001_1_p1 Group:waitlist | Time_point:1 RAW_FILE_NAME=MM001_1_p1_MetRPpos; RAW_FILE_NAME=MM001_1_p1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM001_2_pE1 Group:waitlist | Time_point:2 RAW_FILE_NAME=MM001_2_pE1_MetRPpos; RAW_FILE_NAME=MM001_2_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM001_4_pE1 Group:waitlist | Time_point:4 RAW_FILE_NAME=MM001_4_pE1_MetRPpos; RAW_FILE_NAME=MM001_4_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM002_0_p1 Group:waitlist | Time_point:- RAW_FILE_NAME=MM002_0_p1_MetRPpos; RAW_FILE_NAME=MM002_0_p1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM002_1_p1 Group:waitlist | Time_point:1 RAW_FILE_NAME=MM002_1_p1_MetRPpos; RAW_FILE_NAME=MM002_1_p1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM003_0_p1 Group:exercise | Time_point:- RAW_FILE_NAME=MM003_0_p1_MetRPpos; RAW_FILE_NAME=MM003_0_p1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM003_1_pE1 Group:exercise | Time_point:1 RAW_FILE_NAME=MM003_1_pE1_MetRPpos; RAW_FILE_NAME=MM003_1_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM003_3_pE1 Group:exercise | Time_point:3 RAW_FILE_NAME=MM003_3_pE1_MetRPpos; RAW_FILE_NAME=MM003_3_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM004_0_p1 Group:exercise | Time_point:- RAW_FILE_NAME=MM004_0_p1_MetRPpos; RAW_FILE_NAME=MM004_0_p1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM004_1_pE1 Group:exercise | Time_point:1 RAW_FILE_NAME=MM004_1_pE1_MetRPpos; RAW_FILE_NAME=MM004_1_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM004_3_pE1 Group:exercise | Time_point:3 RAW_FILE_NAME=MM004_3_pE1_MetRPpos; RAW_FILE_NAME=MM004_3_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM006_0_p1 Group:waitlist | Time_point:- RAW_FILE_NAME=MM006_0_p1_MetRPpos; RAW_FILE_NAME=MM006_0_p1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM006_1_pE1 Group:waitlist | Time_point:1 RAW_FILE_NAME=MM006_1_pE1_MetRPpos; RAW_FILE_NAME=MM006_1_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM007_0_p1 Group:waitlist | Time_point:- RAW_FILE_NAME=MM007_0_p1_MetRPpos; RAW_FILE_NAME=MM007_0_p1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM007_1_pE1 Group:waitlist | Time_point:1 RAW_FILE_NAME=MM007_1_pE1_MetRPpos; RAW_FILE_NAME=MM007_1_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM007_2_pE1 Group:waitlist | Time_point:2 RAW_FILE_NAME=MM007_2_pE1_MetRPpos; RAW_FILE_NAME=MM007_2_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM007_4_pE1 Group:waitlist | Time_point:4 RAW_FILE_NAME=MM007_4_pE1_MetRPpos; RAW_FILE_NAME=MM007_4_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM008_0_p1 Group:exercise | Time_point:- RAW_FILE_NAME=MM008_0_p1_MetRPpos; RAW_FILE_NAME=MM008_0_p1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM008_1_pE1 Group:exercise | Time_point:1 RAW_FILE_NAME=MM008_1_pE1_MetRPpos; RAW_FILE_NAME=MM008_1_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM008_3_pE1 Group:exercise | Time_point:3 RAW_FILE_NAME=MM008_3_pE1_MetRPpos; RAW_FILE_NAME=MM008_3_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM009_0_p1 Group:waitlist | Time_point:- RAW_FILE_NAME=MM009_0_p1_MetRPpos; RAW_FILE_NAME=MM009_0_p1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM009_1_pE1 Group:waitlist | Time_point:1 RAW_FILE_NAME=MM009_1_pE1_MetRPpos; RAW_FILE_NAME=MM009_1_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM009_2_pE1 Group:waitlist | Time_point:2 RAW_FILE_NAME=MM009_2_pE1_MetRPpos; RAW_FILE_NAME=MM009_2_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM009_4_pE1 Group:waitlist | Time_point:4 RAW_FILE_NAME=MM009_4_pE1_MetRPpos; RAW_FILE_NAME=MM009_4_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM010_0_p1 Group:exercise | Time_point:- RAW_FILE_NAME=MM010_0_p1_MetRPpos; RAW_FILE_NAME=MM010_0_p1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM010_1_pE1 Group:exercise | Time_point:1 RAW_FILE_NAME=MM010_1_pE1_MetRPpos; RAW_FILE_NAME=MM010_1_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM010_3_pE1 Group:exercise | Time_point:3 RAW_FILE_NAME=MM010_3_pE1_MetRPpos; RAW_FILE_NAME=MM010_3_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM011_0_p1 Group:exercise | Time_point:- RAW_FILE_NAME=MM011_0_p1_MetRPpos; RAW_FILE_NAME=MM011_0_p1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM011_1_pE1 Group:exercise | Time_point:1 RAW_FILE_NAME=MM011_1_pE1_MetRPpos; RAW_FILE_NAME=MM011_1_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM011_3_pE1 Group:exercise | Time_point:3 RAW_FILE_NAME=MM011_3_pE1_MetRPpos; RAW_FILE_NAME=MM011_3_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM013_0_p1 Group:waitlist | Time_point:- RAW_FILE_NAME=MM013_0_p1_MetRPpos; RAW_FILE_NAME=MM013_0_p1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM013_1_pE1 Group:waitlist | Time_point:1 RAW_FILE_NAME=MM013_1_pE1_MetRPpos; RAW_FILE_NAME=MM013_1_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM013_2_pE1 Group:waitlist | Time_point:2 RAW_FILE_NAME=MM013_2_pE1_MetRPpos; RAW_FILE_NAME=MM013_2_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM013_4_pE1 Group:waitlist | Time_point:4 RAW_FILE_NAME=MM013_4_pE1_MetRPpos; RAW_FILE_NAME=MM013_4_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM014_0_p1 Group:exercise | Time_point:- RAW_FILE_NAME=MM014_0_p1_MetRPpos; RAW_FILE_NAME=MM014_0_p1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM014_1_pE1 Group:exercise | Time_point:1 RAW_FILE_NAME=MM014_1_pE1_MetRPpos; RAW_FILE_NAME=MM014_1_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM014_3_pE1 Group:exercise | Time_point:3 RAW_FILE_NAME=MM014_3_pE1_MetRPpos; RAW_FILE_NAME=MM014_3_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM017_0_p2 Group:waitlist | Time_point:- RAW_FILE_NAME=MM017_0_p2_MetRPpos; RAW_FILE_NAME=MM017_0_p2_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM017_1_pE1 Group:waitlist | Time_point:1 RAW_FILE_NAME=MM017_1_pE1_MetRPpos; RAW_FILE_NAME=MM017_1_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM017_2_pE1 Group:waitlist | Time_point:2 RAW_FILE_NAME=MM017_2_pE1_MetRPpos; RAW_FILE_NAME=MM017_2_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM017_4_pE1 Group:waitlist | Time_point:4 RAW_FILE_NAME=MM017_4_pE1_MetRPpos; RAW_FILE_NAME=MM017_4_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM018_0_p1 Group:waitlist | Time_point:- RAW_FILE_NAME=MM018_0_p1_MetRPpos; RAW_FILE_NAME=MM018_0_p1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM018_1_pE1 Group:waitlist | Time_point:1 RAW_FILE_NAME=MM018_1_pE1_MetRPpos; RAW_FILE_NAME=MM018_1_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM019_0_pE1 Group:waitlist | Time_point:- RAW_FILE_NAME=MM019_0_pE1_MetRPpos; RAW_FILE_NAME=MM019_0_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM019_1_pE1 Group:waitlist | Time_point:1 RAW_FILE_NAME=MM019_1_pE1_MetRPpos; RAW_FILE_NAME=MM019_1_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM019_2_pE1 Group:waitlist | Time_point:2 RAW_FILE_NAME=MM019_2_pE1_MetRPpos; RAW_FILE_NAME=MM019_2_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM019_4_pE1 Group:waitlist | Time_point:4 RAW_FILE_NAME=MM019_4_pE1_MetRPpos; RAW_FILE_NAME=MM019_4_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM020_0_pE1 Group:waitlist | Time_point:- RAW_FILE_NAME=MM020_0_pE1_MetRPpos; RAW_FILE_NAME=MM020_0_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM020_1_pE1 Group:waitlist | Time_point:1 RAW_FILE_NAME=MM020_1_pE1_MetRPpos; RAW_FILE_NAME=MM020_1_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM021_0_pE1 Group:waitlist | Time_point:- RAW_FILE_NAME=MM021_0_pE1_MetRPpos; RAW_FILE_NAME=MM021_0_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM021_1_pE1 Group:waitlist | Time_point:1 RAW_FILE_NAME=MM021_1_pE1_MetRPpos; RAW_FILE_NAME=MM021_1_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM021_2_pE1 Group:waitlist | Time_point:2 RAW_FILE_NAME=MM021_2_pE1_MetRPpos; RAW_FILE_NAME=MM021_2_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM022_0_pE1 Group:exercise | Time_point:- RAW_FILE_NAME=MM022_0_pE1_MetRPpos; RAW_FILE_NAME=MM022_0_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM022_1_pE1 Group:exercise | Time_point:1 RAW_FILE_NAME=MM022_1_pE1_MetRPpos; RAW_FILE_NAME=MM022_1_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM022_3_pE1 Group:exercise | Time_point:3 RAW_FILE_NAME=MM022_3_pE1_MetRPpos; RAW_FILE_NAME=MM022_3_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM023_0_pE1 Group:waitlist | Time_point:- RAW_FILE_NAME=MM023_0_pE1_MetRPpos; RAW_FILE_NAME=MM023_0_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM023_1_pE1 Group:waitlist | Time_point:1 RAW_FILE_NAME=MM023_1_pE1_MetRPpos; RAW_FILE_NAME=MM023_1_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM025_0_pE1 Group:waitlist | Time_point:- RAW_FILE_NAME=MM025_0_pE1_MetRPpos; RAW_FILE_NAME=MM025_0_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM025_1_pE1 Group:waitlist | Time_point:1 RAW_FILE_NAME=MM025_1_pE1_MetRPpos; RAW_FILE_NAME=MM025_1_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM025_2_pE1 Group:waitlist | Time_point:2 RAW_FILE_NAME=MM025_2_pE1_MetRPpos; RAW_FILE_NAME=MM025_2_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM026_0_pE1 Group:exercise | Time_point:- RAW_FILE_NAME=MM026_0_pE1_MetRPpos; RAW_FILE_NAME=MM026_0_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM026_1_pE1 Group:exercise | Time_point:1 RAW_FILE_NAME=MM026_1_pE1_MetRPpos; RAW_FILE_NAME=MM026_1_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM026_3_pE1 Group:exercise | Time_point:3 RAW_FILE_NAME=MM026_3_pE1_MetRPpos; RAW_FILE_NAME=MM026_3_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM027_0_pE1 Group:exercise | Time_point:- RAW_FILE_NAME=MM027_0_pE1_MetRPpos; RAW_FILE_NAME=MM027_0_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM027_1_pE1 Group:exercise | Time_point:1 RAW_FILE_NAME=MM027_1_pE1_MetRPpos; RAW_FILE_NAME=MM027_1_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM027_3_pE1 Group:exercise | Time_point:3 RAW_FILE_NAME=MM027_3_pE1_MetRPpos; RAW_FILE_NAME=MM027_3_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM028_0_pE1 Group:waitlist | Time_point:- RAW_FILE_NAME=MM028_0_pE1_MetRPpos; RAW_FILE_NAME=MM028_0_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM028_1_pE1 Group:waitlist | Time_point:1 RAW_FILE_NAME=MM028_1_pE1_MetRPpos; RAW_FILE_NAME=MM028_1_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM028_2_pE1 Group:waitlist | Time_point:2 RAW_FILE_NAME=MM028_2_pE1_MetRPpos; RAW_FILE_NAME=MM028_2_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM028_4_pE1 Group:waitlist | Time_point:4 RAW_FILE_NAME=MM028_4_pE1_MetRPpos; RAW_FILE_NAME=MM028_4_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM030_0_pE1 Group:waitlist | Time_point:- RAW_FILE_NAME=MM030_0_pE1_MetRPpos; RAW_FILE_NAME=MM030_0_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM030_1_pE1 Group:waitlist | Time_point:1 RAW_FILE_NAME=MM030_1_pE1_MetRPpos; RAW_FILE_NAME=MM030_1_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM030_2_pE1 Group:waitlist | Time_point:2 RAW_FILE_NAME=MM030_2_pE1_MetRPpos; RAW_FILE_NAME=MM030_2_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM032_0_pE1 Group:exercise | Time_point:- RAW_FILE_NAME=MM032_0_pE1_MetRPpos; RAW_FILE_NAME=MM032_0_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM032_1_pE1 Group:exercise | Time_point:1 RAW_FILE_NAME=MM032_1_pE1_MetRPpos; RAW_FILE_NAME=MM032_1_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM033_0_pE1 Group:waitlist | Time_point:- RAW_FILE_NAME=MM033_0_pE1_MetRPpos; RAW_FILE_NAME=MM033_0_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM033_1_pE1 Group:waitlist | Time_point:1 RAW_FILE_NAME=MM033_1_pE1_MetRPpos; RAW_FILE_NAME=MM033_1_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM033_2_pE1 Group:waitlist | Time_point:2 RAW_FILE_NAME=MM033_2_pE1_MetRPpos; RAW_FILE_NAME=MM033_2_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM035_0_pE1 Group:exercise | Time_point:- RAW_FILE_NAME=MM035_0_pE1_MetRPpos; RAW_FILE_NAME=MM035_0_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM035_1_pE1 Group:exercise | Time_point:1 RAW_FILE_NAME=MM035_1_pE1_MetRPpos; RAW_FILE_NAME=MM035_1_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM035_3_pE1 Group:exercise | Time_point:3 RAW_FILE_NAME=MM035_3_pE1_MetRPpos; RAW_FILE_NAME=MM035_3_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM036_0_pE1 Group:exercise | Time_point:- RAW_FILE_NAME=MM036_0_pE1_MetRPpos; RAW_FILE_NAME=MM036_0_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM036_1_pE1 Group:exercise | Time_point:1 RAW_FILE_NAME=MM036_1_pE1_MetRPpos; RAW_FILE_NAME=MM036_1_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM036_3_pE1 Group:exercise | Time_point:3 RAW_FILE_NAME=MM036_3_pE1_MetRPpos; RAW_FILE_NAME=MM036_3_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM037_0_pE1 Group:waitlist | Time_point:- RAW_FILE_NAME=MM037_0_pE1_MetRPpos; RAW_FILE_NAME=MM037_0_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM037_1_pE1 Group:waitlist | Time_point:1 RAW_FILE_NAME=MM037_1_pE1_MetRPpos; RAW_FILE_NAME=MM037_1_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM037_2_pE1 Group:waitlist | Time_point:2 RAW_FILE_NAME=MM037_2_pE1_MetRPpos; RAW_FILE_NAME=MM037_2_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM037_4_pE1 Group:waitlist | Time_point:4 RAW_FILE_NAME=MM037_4_pE1_MetRPpos; RAW_FILE_NAME=MM037_4_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM039_0_pE1 Group:exercise | Time_point:- RAW_FILE_NAME=MM039_0_pE1_MetRPpos; RAW_FILE_NAME=MM039_0_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM039_1_pE1 Group:exercise | Time_point:1 RAW_FILE_NAME=MM039_1_pE1_MetRPpos; RAW_FILE_NAME=MM039_1_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM040_0_pE1 Group:exercise | Time_point:- RAW_FILE_NAME=MM040_0_pE1_MetRPpos; RAW_FILE_NAME=MM040_0_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM040_1_pE1 Group:exercise | Time_point:1 RAW_FILE_NAME=MM040_1_pE1_MetRPpos; RAW_FILE_NAME=MM040_1_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM041_0_pE1 Group:exercise | Time_point:- RAW_FILE_NAME=MM041_0_pE1_MetRPpos; RAW_FILE_NAME=MM041_0_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM041_1_pE1 Group:exercise | Time_point:1 RAW_FILE_NAME=MM041_1_pE1_MetRPpos; RAW_FILE_NAME=MM041_1_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM043_0_pE1 Group:waitlist | Time_point:- RAW_FILE_NAME=MM043_0_pE1_MetRPpos; RAW_FILE_NAME=MM043_0_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM043_1_pE1 Group:waitlist | Time_point:1 RAW_FILE_NAME=MM043_1_pE1_MetRPpos; RAW_FILE_NAME=MM043_1_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM043_2_pE1 Group:waitlist | Time_point:2 RAW_FILE_NAME=MM043_2_pE1_MetRPpos; RAW_FILE_NAME=MM043_2_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM044_0_pE1 Group:exercise | Time_point:- RAW_FILE_NAME=MM044_0_pE1_MetRPpos; RAW_FILE_NAME=MM044_0_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM044_1_pE1 Group:exercise | Time_point:1 RAW_FILE_NAME=MM044_1_pE1_MetRPpos; RAW_FILE_NAME=MM044_1_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM045_0_pE1 Group:waitlist | Time_point:- RAW_FILE_NAME=MM045_0_pE1_MetRPpos; RAW_FILE_NAME=MM045_0_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM045_1_pE1 Group:waitlist | Time_point:1 RAW_FILE_NAME=MM045_1_pE1_MetRPpos; RAW_FILE_NAME=MM045_1_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM046_0_pE1 Group:waitlist | Time_point:- RAW_FILE_NAME=MM046_0_pE1_MetRPpos; RAW_FILE_NAME=MM046_0_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM046_1_pE1 Group:waitlist | Time_point:1 RAW_FILE_NAME=MM046_1_pE1_MetRPpos; RAW_FILE_NAME=MM046_1_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM046_2_pE1 Group:waitlist | Time_point:2 RAW_FILE_NAME=MM046_2_pE1_MetRPpos; RAW_FILE_NAME=MM046_2_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM047_0_pE1 Group:waitlist | Time_point:- RAW_FILE_NAME=MM047_0_pE1_MetRPpos; RAW_FILE_NAME=MM047_0_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM047_1_pE1 Group:waitlist | Time_point:1 RAW_FILE_NAME=MM047_1_pE1_MetRPpos; RAW_FILE_NAME=MM047_1_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM047_2_pE1 Group:waitlist | Time_point:2 RAW_FILE_NAME=MM047_2_pE1_MetRPpos; 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RAW_FILE_NAME=MM058_1_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM059_0_pE1 Group:waitlist | Time_point:- RAW_FILE_NAME=MM059_0_pE1_MetRPpos; RAW_FILE_NAME=MM059_0_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - MM059_1_pE1 Group:waitlist | Time_point:1 RAW_FILE_NAME=MM059_1_pE1_MetRPpos; RAW_FILE_NAME=MM059_1_pE1_MetHILICneg SUBJECT_SAMPLE_FACTORS - QC_HP_01 Group:QC | Time_point:QC RAW_FILE_NAME=QC_HP_01_MetRPpos; RAW_FILE_NAME=QC_HP_01_MetHILICneg SUBJECT_SAMPLE_FACTORS - QC_HP_02 Group:QC | Time_point:QC RAW_FILE_NAME=QC_HP_02_MetRPpos; RAW_FILE_NAME=QC_HP_02_MetHILICneg SUBJECT_SAMPLE_FACTORS - QC_HP_03 Group:QC | Time_point:QC RAW_FILE_NAME=QC_HP_03_MetRPpos; RAW_FILE_NAME=QC_HP_03_MetHILICneg SUBJECT_SAMPLE_FACTORS - QC_HP_04 Group:QC | Time_point:QC RAW_FILE_NAME=QC_HP_04_MetRPpos; RAW_FILE_NAME=QC_HP_04_MetHILICneg SUBJECT_SAMPLE_FACTORS - QC_HP_05 Group:QC | Time_point:QC RAW_FILE_NAME=QC_HP_05_MetRPpos; RAW_FILE_NAME=QC_HP_05_MetHILICneg SUBJECT_SAMPLE_FACTORS - QC_HP_06 Group:QC | Time_point:QC RAW_FILE_NAME=QC_HP_06_MetRPpos; 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RAW_FILE_NAME=QC_HP_14_MetHILICneg SUBJECT_SAMPLE_FACTORS - QC_HP_15 Group:QC | Time_point:QC RAW_FILE_NAME=QC_HP_15_MetRPpos; RAW_FILE_NAME=QC_HP_15_MetHILICneg SUBJECT_SAMPLE_FACTORS - QC_HP_16 Group:QC | Time_point:QC RAW_FILE_NAME=QC_HP_16_MetRPpos; RAW_FILE_NAME=QC_HP_16_MetHILICneg SUBJECT_SAMPLE_FACTORS - HP_BlankNegControlExtraction_01 Group:Blank | Time_point:Blank RAW_FILE_NAME=HP_BlankNegControlExtraction_01_MetRPpos; RAW_FILE_NAME=HP_BlankNegControlExtraction_01_MetHILICneg SUBJECT_SAMPLE_FACTORS - HP_BlankNegControlExtraction_02 Group:Blank | Time_point:Blank RAW_FILE_NAME=HP_BlankNegControlExtraction_02_MetRPpos; RAW_FILE_NAME=HP_BlankNegControlExtraction_02_MetHILICneg SUBJECT_SAMPLE_FACTORS - HP_BlankNegControlExtraction_03 Group:Blank | Time_point:Blank RAW_FILE_NAME=HP_BlankNegControlExtraction_03_MetRPpos; RAW_FILE_NAME=HP_BlankNegControlExtraction_03_MetHILICneg SUBJECT_SAMPLE_FACTORS - HP_BlankNegControlExtraction_04 Group:Blank | Time_point:Blank RAW_FILE_NAME=HP_BlankNegControlExtraction_04_MetRPpos; RAW_FILE_NAME=HP_BlankNegControlExtraction_04_MetHILICneg SUBJECT_SAMPLE_FACTORS - HP_BlankNegControlExtraction_05 Group:Blank | Time_point:Blank RAW_FILE_NAME=HP_BlankNegControlExtraction_05_MetRPpos; RAW_FILE_NAME=HP_BlankNegControlExtraction_05_MetHILICneg SUBJECT_SAMPLE_FACTORS - HP_BlankNegControlExtraction_06 Group:Blank | Time_point:Blank RAW_FILE_NAME=HP_BlankNegControlExtraction_06_MetRPpos; RAW_FILE_NAME=HP_BlankNegControlExtraction_06_MetHILICneg SUBJECT_SAMPLE_FACTORS - QC_HP_itMS2_CE0_it01 Group:MS2 | Time_point:MS2 RAW_FILE_NAME=QC_HP_itMS2pos_CE0_it01; RAW_FILE_NAME=QC_HP_itMS2neg_CE0_it01 SUBJECT_SAMPLE_FACTORS - QC_HP_itMS2_CE0_it02 Group:MS2 | Time_point:MS2 RAW_FILE_NAME=QC_HP_itMS2pos_CE0_it02; RAW_FILE_NAME=QC_HP_itMS2neg_CE0_it02 SUBJECT_SAMPLE_FACTORS - QC_HP_itMS2_CE0_it03 Group:MS2 | Time_point:MS2 RAW_FILE_NAME=QC_HP_itMS2pos_CE0_it03; RAW_FILE_NAME=QC_HP_itMS2neg_CE0_it03 SUBJECT_SAMPLE_FACTORS - QC_HP_itMS2_CE0_it04 Group:MS2 | Time_point:MS2 RAW_FILE_NAME=QC_HP_itMS2pos_CE0_it04; RAW_FILE_NAME=QC_HP_itMS2neg_CE0_it04 SUBJECT_SAMPLE_FACTORS - QC_HP_itMS2_CE0_it05 Group:MS2 | Time_point:MS2 RAW_FILE_NAME=QC_HP_itMS2pos_CE0_it05; RAW_FILE_NAME=QC_HP_itMS2neg_CE0_it05 SUBJECT_SAMPLE_FACTORS - QC_HP_itMS2_CE0_it06 Group:MS2 | Time_point:MS2 RAW_FILE_NAME=QC_HP_itMS2pos_CE0_it06; RAW_FILE_NAME=QC_HP_itMS2neg_CE0_it06 SUBJECT_SAMPLE_FACTORS - QC_HP_itMS2_CE0_it07 Group:MS2 | Time_point:MS2 RAW_FILE_NAME=QC_HP_itMS2pos_CE0_it07; RAW_FILE_NAME=QC_HP_itMS2neg_CE0_it07 SUBJECT_SAMPLE_FACTORS - QC_HP_itMS2_CE0_it08 Group:MS2 | Time_point:MS2 RAW_FILE_NAME=QC_HP_itMS2pos_CE0_it08; RAW_FILE_NAME=QC_HP_itMS2neg_CE0_it08 SUBJECT_SAMPLE_FACTORS - QC_HP_itMS2_CE10_it01 Group:MS2 | Time_point:MS2 RAW_FILE_NAME=QC_HP_itMS2pos_CE10_it01; RAW_FILE_NAME=QC_HP_itMS2neg_CE10_it01 SUBJECT_SAMPLE_FACTORS - QC_HP_itMS2_CE10_it02 Group:MS2 | Time_point:MS2 RAW_FILE_NAME=QC_HP_itMS2pos_CE10_it02; RAW_FILE_NAME=QC_HP_itMS2neg_CE10_it02 SUBJECT_SAMPLE_FACTORS - QC_HP_itMS2_CE10_it03 Group:MS2 | Time_point:MS2 RAW_FILE_NAME=QC_HP_itMS2pos_CE10_it03; RAW_FILE_NAME=QC_HP_itMS2neg_CE10_it03 SUBJECT_SAMPLE_FACTORS - QC_HP_itMS2_CE10_it04 Group:MS2 | Time_point:MS2 RAW_FILE_NAME=QC_HP_itMS2pos_CE10_it04; RAW_FILE_NAME=QC_HP_itMS2neg_CE10_it04 SUBJECT_SAMPLE_FACTORS - QC_HP_itMS2_CE10_it05 Group:MS2 | Time_point:MS2 RAW_FILE_NAME=QC_HP_itMS2pos_CE10_it05; RAW_FILE_NAME=QC_HP_itMS2neg_CE10_it05 SUBJECT_SAMPLE_FACTORS - QC_HP_itMS2_CE10_it06 Group:MS2 | Time_point:MS2 RAW_FILE_NAME=QC_HP_itMS2pos_CE10_it06; RAW_FILE_NAME=QC_HP_itMS2neg_CE10_it06 SUBJECT_SAMPLE_FACTORS - QC_HP_itMS2_CE10_it07 Group:MS2 | Time_point:MS2 RAW_FILE_NAME=QC_HP_itMS2pos_CE10_it07; RAW_FILE_NAME=QC_HP_itMS2neg_CE10_it07 SUBJECT_SAMPLE_FACTORS - QC_HP_itMS2_CE10_it08 Group:MS2 | Time_point:MS2 RAW_FILE_NAME=QC_HP_itMS2pos_CE10_it08; RAW_FILE_NAME=QC_HP_itMS2neg_CE10_it08 SUBJECT_SAMPLE_FACTORS - QC_HP_itMS2_CE20_it01 Group:MS2 | Time_point:MS2 RAW_FILE_NAME=QC_HP_itMS2pos_CE20_it01; RAW_FILE_NAME=QC_HP_itMS2neg_CE20_it01 SUBJECT_SAMPLE_FACTORS - QC_HP_itMS2_CE20_it02 Group:MS2 | Time_point:MS2 RAW_FILE_NAME=QC_HP_itMS2pos_CE20_it02; RAW_FILE_NAME=QC_HP_itMS2neg_CE20_it02 SUBJECT_SAMPLE_FACTORS - QC_HP_itMS2_CE20_it03 Group:MS2 | Time_point:MS2 RAW_FILE_NAME=QC_HP_itMS2pos_CE20_it03; RAW_FILE_NAME=QC_HP_itMS2neg_CE20_it03 SUBJECT_SAMPLE_FACTORS - QC_HP_itMS2_CE20_it04 Group:MS2 | Time_point:MS2 RAW_FILE_NAME=QC_HP_itMS2pos_CE20_it04; RAW_FILE_NAME=QC_HP_itMS2neg_CE20_it04 SUBJECT_SAMPLE_FACTORS - QC_HP_itMS2_CE20_it05 Group:MS2 | Time_point:MS2 RAW_FILE_NAME=QC_HP_itMS2pos_CE20_it05; RAW_FILE_NAME=QC_HP_itMS2neg_CE20_it05 SUBJECT_SAMPLE_FACTORS - QC_HP_itMS2_CE20_it06 Group:MS2 | Time_point:MS2 RAW_FILE_NAME=QC_HP_itMS2pos_CE20_it06; RAW_FILE_NAME=QC_HP_itMS2neg_CE20_it06 SUBJECT_SAMPLE_FACTORS - QC_HP_itMS2_CE20_it07 Group:MS2 | Time_point:MS2 RAW_FILE_NAME=QC_HP_itMS2pos_CE20_it07; RAW_FILE_NAME=QC_HP_itMS2neg_CE20_it07 SUBJECT_SAMPLE_FACTORS - QC_HP_itMS2_CE20_it08 Group:MS2 | Time_point:MS2 RAW_FILE_NAME=QC_HP_itMS2pos_CE20_it08; RAW_FILE_NAME=QC_HP_itMS2neg_CE20_it08 SUBJECT_SAMPLE_FACTORS - QC_HP_itMS2_CE40_it01 Group:MS2 | Time_point:MS2 RAW_FILE_NAME=QC_HP_itMS2pos_CE40_it01; RAW_FILE_NAME=QC_HP_itMS2neg_CE40_it01 SUBJECT_SAMPLE_FACTORS - QC_HP_itMS2_CE40_it02 Group:MS2 | Time_point:MS2 RAW_FILE_NAME=QC_HP_itMS2pos_CE40_it02; RAW_FILE_NAME=QC_HP_itMS2neg_CE40_it02 SUBJECT_SAMPLE_FACTORS - QC_HP_itMS2_CE40_it03 Group:MS2 | Time_point:MS2 RAW_FILE_NAME=QC_HP_itMS2pos_CE40_it03; RAW_FILE_NAME=QC_HP_itMS2neg_CE40_it03 SUBJECT_SAMPLE_FACTORS - QC_HP_itMS2_CE40_it04 Group:MS2 | Time_point:MS2 RAW_FILE_NAME=QC_HP_itMS2pos_CE40_it04; RAW_FILE_NAME=QC_HP_itMS2neg_CE40_it04 SUBJECT_SAMPLE_FACTORS - QC_HP_itMS2_CE40_it05 Group:MS2 | Time_point:MS2 RAW_FILE_NAME=QC_HP_itMS2pos_CE40_it05; RAW_FILE_NAME=QC_HP_itMS2neg_CE40_it05 SUBJECT_SAMPLE_FACTORS - QC_HP_itMS2_CE40_it06 Group:MS2 | Time_point:MS2 RAW_FILE_NAME=QC_HP_itMS2pos_CE40_it06; RAW_FILE_NAME=QC_HP_itMS2neg_CE40_it06 SUBJECT_SAMPLE_FACTORS - QC_HP_itMS2_CE40_it07 Group:MS2 | Time_point:MS2 RAW_FILE_NAME=QC_HP_itMS2pos_CE40_it07; RAW_FILE_NAME=QC_HP_itMS2neg_CE40_it07 SUBJECT_SAMPLE_FACTORS - QC_HP_itMS2_CE40_it08 Group:MS2 | Time_point:MS2 RAW_FILE_NAME=QC_HP_itMS2pos_CE40_it08; RAW_FILE_NAME=QC_HP_itMS2neg_CE40_it08 #COLLECTION CO:COLLECTION_SUMMARY Fasted plasma samples were collected from participants at multiple time points CO:COLLECTION_SUMMARY as depicted in Figure 1, taken from the protocol paper Nicol, J.L.;Woodrow, CO:COLLECTION_SUMMARY C.;Cunningham, B.J.; Mollee, P.;Weber, N.; Smith, M.D.; Nicol, A.J.; Gordon, CO:COLLECTION_SUMMARY L.G.; Hill, M.M.; Skinner, T.L. An Individualized Exercise Intervention for CO:COLLECTION_SUMMARY People with Multiple Myeloma—Study Protocol of a Randomized CO:COLLECTION_SUMMARY Waitlist-Controlled Trial. Curr. Oncol. 2022, 29, 901–923. CO:COLLECTION_SUMMARY https://doi.org/10.3390/curroncol29020077. After overnight fasting, plasma was CO:COLLECTION_SUMMARY collected by an experienced phlebotomist from an antecubital vein using a CO:COLLECTION_SUMMARY 23-gauge needle into EDTA-coated blood collection tubes and immediately stored CO:COLLECTION_SUMMARY on ice. Aliquots were prepared in Eppendorf tubes within 4 hours, and frozen at CO:COLLECTION_SUMMARY -80oC until use CO:SAMPLE_TYPE Blood (plasma) #TREATMENT TR:TREATMENT_SUMMARY Multiple myeloma patients were randomized to exercise (EX) or waitlist (WT) TR:TREATMENT_SUMMARY groups as detailed in the protocol paper: Nicol, J.L.;Woodrow, C.;Cunningham, TR:TREATMENT_SUMMARY B.J.; Mollee, P.;Weber, N.; Smith, M.D.; Nicol, A.J.; Gordon, L.G.; Hill, M.M.; TR:TREATMENT_SUMMARY Skinner, T.L. An Individualized Exercise Intervention for People with Multiple TR:TREATMENT_SUMMARY Myeloma—Study Protocol of a Randomized Waitlist-Controlled Trial. Curr. Oncol. TR:TREATMENT_SUMMARY 2022, 29, 901–923. https://doi.org/10.3390/curroncol29020077. The TR:TREATMENT_SUMMARY individualized exercise program was for 3 months, and follow-up plasma was TR:TREATMENT_SUMMARY collected at 12 months. WT group had usual care for 3 months prior to the same TR:TREATMENT_SUMMARY exercise and follow-up regime #SAMPLEPREP SP:SAMPLEPREP_SUMMARY In total, 126 human plasma samples from 46 patients were prepared. All samples SP:SAMPLEPREP_SUMMARY (including QCs and blanks) were randomized in one batch and then evenly split SP:SAMPLEPREP_SUMMARY between two 2 mL 96-deepwell plates (Eppendorf #0030 501.306). Human plasma SP:SAMPLEPREP_SUMMARY samples were thawed on ice and briefly vortexed before aliquoting 100 µL plasma SP:SAMPLEPREP_SUMMARY of each sample to a well. In addition, a global sample pool containing equal SP:SAMPLEPREP_SUMMARY volumes (12 µL) of each sample was prepared into a 2 mL Eppendorf tube as SP:SAMPLEPREP_SUMMARY quality control (QC) and 12 x 100 µL aliquots were transferred into wells SP:SAMPLEPREP_SUMMARY across the 2 plates. Finally, blank negative control extraction samples were SP:SAMPLEPREP_SUMMARY prepared by transferring 100 µL of 1X PBS to 6 wells equally across 2 plates. SP:SAMPLEPREP_SUMMARY Ten-times the sample volume of ice-cold butanol/methanol (1:1) containing 50 SP:SAMPLEPREP_SUMMARY µg/mL antioxidant 2,6-di-tert-butyl-4-methylphenol (BHT) and 0.5 µg/mL ISTD SP:SAMPLEPREP_SUMMARY 4-chloro-L-phenylalanine (PCPA) was added to each well using a multi-channel SP:SAMPLEPREP_SUMMARY pipette. Plates were covered with organic solvent resistant sealing mats SP:SAMPLEPREP_SUMMARY (Eppendorf #0030 127.960) and vortexed for 3 min at 1000 rpm. Samples were then SP:SAMPLEPREP_SUMMARY sonicated for 15 min in an ice-cold water bath sonicator, stored overnight at SP:SAMPLEPREP_SUMMARY -30oC and centrifuged for 30 min at 4,000 x g (4oC). Samples were aliquoted into SP:SAMPLEPREP_SUMMARY 96-well V-bottom plates (Greiner #651201) using a liquid handler platform SP:SAMPLEPREP_SUMMARY (AssayMap Bravo, Agilent). From each deepwell plate, 4 x 100 µL and 2 x 200 µL SP:SAMPLEPREP_SUMMARY aliquots were prepared, totalling 8 and 4 plates, respectively. Samples were SP:SAMPLEPREP_SUMMARY dried down (2.5 hrs) using a Genevac EZ-2 vacuum concentrator and fast-stack SP:SAMPLEPREP_SUMMARY swings facilitating drying of 8 plates per batch. Dried sample plates were SP:SAMPLEPREP_SUMMARY covered with AlumaSeal CS sealing film for cold storage (Finneran-Porviar SP:SAMPLEPREP_SUMMARY #FC-100) and stored at -80oC until LC/MS analysis #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY HILIC separation of metabolites was carried out on a Poroshell 120 HILIC-Z CH:CHROMATOGRAPHY_SUMMARY (100Å, 2.7µm, 2.1x100mm, #675775-924, Agilent) column at 30ºC and the MS was CH:CHROMATOGRAPHY_SUMMARY operated in negative ionization mode. Eluent A was 10 mM ammonium acetate and 5 CH:CHROMATOGRAPHY_SUMMARY μM medronic acid in ACN/milliQ 90:10 (pH 9) and eluent B was 10 mM ammonium CH:CHROMATOGRAPHY_SUMMARY acetate and 5 μM medronic acid in milliQ (pH 9). Gradient applied was: 0 min CH:CHROMATOGRAPHY_SUMMARY (10% eluent B) – 3.5 min (25% B) – 5.5 min (50% B) – 7.5 min (50% B) – CH:CHROMATOGRAPHY_SUMMARY 7.6 min (10% B) – 14 min (10% B). Flow rate was set to 0.25 mL/min with a flow CH:CHROMATOGRAPHY_SUMMARY ramp to 0.5 mL/min during equilibration CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Agilent 1290 Infinity II CH:COLUMN_NAME Agilent Poroshell 120 HILIC-Z (2.1x100mm, 2.7 um) #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Agilent 6545 QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS MS acquisition: Full scan MS data acquisition (m/z 50-1700) was carried out at a MS:MS_COMMENTS scan rate of 2.5 spectra/sec with the following source conditions applied for MS:MS_COMMENTS metabolites analysed on reversed-phase: Gas temperature 250°C, gas flow 13 MS:MS_COMMENTS L/min, sheath gas temperature and flow at 400°C and 12 L/min, respectively, MS:MS_COMMENTS nebulizer 30 psi, fragmentor 135, capillary voltage at +4500 V, nozzle voltage MS:MS_COMMENTS and CE were zero. For metabolite separation on HILIC conditions were adjusted as MS:MS_COMMENTS follows: Gas temperature 200°C, gas flow 10 L/min, nebulizer 40 psi, capillary MS:MS_COMMENTS voltage at -2500 V. MS/MS acquisition: For compound identification, the MS:MS_COMMENTS ‘Iterative MS/MS’ data acquisition mode was employed, i.e. a sample (here: MS:MS_COMMENTS QC pools) was injected multiple times and precursors previously selected for MS:MS_COMMENTS MS/MS fragmentation were excluded in subsequent runs. Eight iterative MS/MS MS:MS_COMMENTS acquisition runs per fixed collision energy (CE) value were performed with CE MS:MS_COMMENTS values set to 0, 10, 20, and 40 V. Spectral parameters were as follows: MS and MS:MS_COMMENTS MS/MS mass range was 50-1700; MS and MS/MS acquisition rate was 3 spectra/sec; MS:MS_COMMENTS quadrupole isolation width was narrow (~1.3 m/z). A maximum of 8 precursors per MS:MS_COMMENTS cycle were targeted which resulted in a cycle time of 3.1 s. Precursor threshold MS:MS_COMMENTS was set to 500 counts or 0.001% with an active exclusion of 0.2 min after 1 MS:MS_COMMENTS spectra. Iterative MS/MS settings were enabled with a mass error tolerance of MS:MS_COMMENTS +/- 5 ppm and retention time exclusion tolerance of +/- 0.1 min. Precursor MS:MS_COMMENTS charge state was set to 1, 2 and unknown. Precursor abundance-based scan speed MS:MS_COMMENTS with a target of 25,000 counts/spectrum and the use MS/MS accumulation time MS:MS_COMMENTS limit were enabled. Precursor purity stringency was kept at 70% and cutoff 0%. MS:MS_COMMENTS Reference ions were excluded from fragmentation with a delta mass tolerance of MS:MS_COMMENTS 10 ppm. Data processing: Feature extraction was performed separately for each of MS:MS_COMMENTS the 2 LC/MS analysis modes. A total of 148 data files (126 patient samples, 16 MS:MS_COMMENTS QCs, and 6 blank negative control extractions) were loaded into MassHunter MS:MS_COMMENTS Profinder (v 10 SP1, Agilent) and assigned to sample groups. Patient samples MS:MS_COMMENTS were divided into 2 sample groups (waitlist and exercise group), totalling 4 MS:MS_COMMENTS samples groups altogether. First, retention time alignment was conducted using a MS:MS_COMMENTS QC run as reference file. Spectral feature extraction was then performed using MS:MS_COMMENTS the recursive feature extraction method employing default settings with minor MS:MS_COMMENTS adjustments: Peak extraction retention time (Rt) range was restricted to 0.1-5 MS:MS_COMMENTS min and 0.1-7 min for reversed-phase and HILIC, respectively, compound binning MS:MS_COMMENTS and alignment tolerances were set to 1% + 0.3 min for Rt and 20 ppm + 2 mDa for MS:MS_COMMENTS mass, integrator Agile 2 was used for peak integration, peak filters were set to MS:MS_COMMENTS at least 2500 counts and features must have satisfied filter conditions in at MS:MS_COMMENTS least 75 % of files in at least one sample group. Feature peak area was exported MS:MS_COMMENTS and data cleaning was performed in accordance with Southam et al. (2021) using MS:MS_COMMENTS an in-house R script compiled of the following steps. QC samples were removed MS:MS_COMMENTS from the data matrix area if the total peak area (of all features) exceeded MS:MS_COMMENTS +/-25% of the median QC total peak area. Features were deleted from the data MS:MS_COMMENTS matrix if: detected in less than 70% of QC samples; absent across all sample MS:MS_COMMENTS groups; the mean QC/extract blank area ratio was less than 5; and the peak area MS:MS_COMMENTS RSD across QC samples was larger than 30%. In addition, duplicate feature MS:MS_COMMENTS entries were removed. MS:MS_RESULTS_FILE ST002183_AN003576_Results.txt UNITS:peak area Has m/z:Neutral masses Has RT:Yes RT units:Minutes #END