#METABOLOMICS WORKBENCH ramkhattri_20220609_135450 DATATRACK_ID:3302 STUDY_ID:ST002208 ANALYSIS_ID:AN003611 PROJECT_ID:PR001410 VERSION 1 CREATED_ON July 7, 2022, 2:48 pm #PROJECT PR:PROJECT_TITLE Metabolomic analysis to assess response to immunotherapy for malignant brain PR:PROJECT_TITLE tumors: Part 2 PR:PROJECT_TYPE Study of the urine and serum in mice treated with DC vaccine via 1H NMR PR:PROJECT_SUMMARY The objective of this project was to identify a peripheral metabolomic profile PR:PROJECT_SUMMARY to serve as a biomarker of response to immunotherapy for the treatment of PR:PROJECT_SUMMARY malignant brain tumors. PR:INSTITUTE University of Florida PR:DEPARTMENT Applied Physiology and Kinesiology PR:LABORATORY Rm 042 PR:LAST_NAME Khattri PR:FIRST_NAME Ram PR:ADDRESS 1864 Stadium RD, Gainesville, FL, 32611, USA PR:EMAIL rbk11@ufl.edu PR:PHONE 3307856045 PR:FUNDING_SOURCE This work was partially funded by the Florida Center for Brain Tumor Research PR:FUNDING_SOURCE (FCBTR), and by generous benefactors to the University of Florida, Peter and PR:FUNDING_SOURCE Angela Dziegielewski, who established the Eilzabeth Dziegielewski Glioblastoma PR:FUNDING_SOURCE Research Fund, and Rosalinde Wolfe, who established the Greg Wolfe Brain Tumor PR:FUNDING_SOURCE Research Fund. RK and MM were supported by funding from National Institutes of PR:FUNDING_SOURCE Health (U24-DK097209 and 5U2C-DK119889). All NMR portion of this study was PR:FUNDING_SOURCE performed in McKnight Brain Institute at National High Magnetic Field PR:FUNDING_SOURCE Laboratory’s Advanced Magnetic Resonance Imaging and Spectroscopy (AMRIS) PR:FUNDING_SOURCE Facility, which is funded by National Science Foundation Cooperative Agreement PR:FUNDING_SOURCE No. DMR-1644779 and the State of Florida. PR:PROJECT_COMMENTS Study of the urine and serum in mice treated with DC vaccine via 1H NMR PR:PUBLICATIONS Metabolomics journal (submitted) PR:CONTRIBUTORS Farhad Dastmalchi, Ram B. Khattri, Marc A. McLeod, Kaitlyn Melnick, Loic P. PR:CONTRIBUTORS Deleyrolle, Yusuf Mehkri, Aida Karachi, Paul Kubilis, Shu Wang, Duane A. PR:CONTRIBUTORS Mitchell, Matthew E. Merritt, Maryam Rahman #STUDY ST:STUDY_TITLE Metabolomic analysis to assess response to immunotherapy for malignant brain ST:STUDY_TITLE tumors: Part 2 ST:STUDY_SUMMARY An effective immune response in patients with cancer treated with immunotherapy ST:STUDY_SUMMARY includes dendritic cell (DC) activation and migration followed by stimulation of ST:STUDY_SUMMARY CD8 and CD4 T cells. This then leads to the activation, proliferation and ST:STUDY_SUMMARY further activation of other immune cell populations including NK cells or ST:STUDY_SUMMARY immunosuppressive populations such as Tregs and myeloid derived suppressor cells ST:STUDY_SUMMARY (MDSCs). These studies were carried out utilizing murine brain tumor models ST:STUDY_SUMMARY treated with an RNA DC vaccine platform. We hypothesized that metabolomic ST:STUDY_SUMMARY analyses of urines would be sensitive to the action of this diverse set of ST:STUDY_SUMMARY immune cells. The objective of this study was to evaluate the feasibility of ST:STUDY_SUMMARY using metabolomics to follow immune responses after immunotherapy. We chose NMR ST:STUDY_SUMMARY as our analytical technique of choice, as it has many favorable qualities that ST:STUDY_SUMMARY make it ideal for analyses of urine. ST:INSTITUTE University of Florida ST:DEPARTMENT Applied Physiology and Kinesiology ST:LABORATORY Rm 042 ST:LAST_NAME Khattri ST:FIRST_NAME Ram ST:ADDRESS 1200 Newell Dr., ARB 240, Gainesville, FL, 32611, USA ST:EMAIL rbk11@ufl.edu ST:NUM_GROUPS 10 ST:TOTAL_SUBJECTS 80 ST:NUM_MALES NA ST:NUM_FEMALES NA ST:STUDY_COMMENTS Metabolomic profiling of urine samples ST:PUBLICATIONS Metabolomics journal (submitted) ST:STUDY_TYPE Cancer surrogate biomarker discovery ST:PHONE 3307856045 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 SU:GENOTYPE_STRAIN C57BL/6J SU:GENDER Not applicable SU:ANIMAL_ANIMAL_SUPPLIER Jackson Labs (Bar Harbor, ME) SU:ANIMAL_HOUSING Housed in a temperature of 22 oC SU:ANIMAL_LIGHT_CYCLE 12-hour light/12-hour dark SU:ANIMAL_WATER free access to food and water (3-5 animals per cage). #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 - Maryam_2nd-set_Urine_Control_C1_Post Group:Control_Day 0 to 1 RAW_FILE_NAME=Maryam_2nd-set_Urine_Control_C1_Post.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_Control_C2_Post Group:Control_Day 0 to 1 RAW_FILE_NAME=Maryam_2nd-set_Urine_Control_C2_Post.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_Control_C3_Post Group:Control_Day 0 to 1 RAW_FILE_NAME=Maryam_2nd-set_Urine_Control_C3_Post.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_Control_C4_Post Group:Control_Day 0 to 1 RAW_FILE_NAME=Maryam_2nd-set_Urine_Control_C4_Post.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_Control_C5_Post Group:Control_Day 0 to 1 RAW_FILE_NAME=Maryam_2nd-set_Urine_Control_C5_Post.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_Control_C6_Post Group:Control_Day 0 to 1 RAW_FILE_NAME=Maryam_2nd-set_Urine_Control_C6_Post.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_Control_C7_Post Group:Control_Day 0 to 1 RAW_FILE_NAME=Maryam_2nd-set_Urine_Control_C7_Post.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_Control_C1_D8 Group:Control_Day 0 to 8 RAW_FILE_NAME=Maryam_2nd-set_Urine_Control_C1_D8.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_Control_C2_D8 Group:Control_Day 0 to 8 RAW_FILE_NAME=Maryam_2nd-set_Urine_Control_C2_D8.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_Control_C3_D8 Group:Control_Day 0 to 8 RAW_FILE_NAME=Maryam_2nd-set_Urine_Control_C3_D8.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_Control_C4_D8 Group:Control_Day 0 to 8 RAW_FILE_NAME=Maryam_2nd-set_Urine_Control_C4_D8.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_Control_C5_D8 Group:Control_Day 0 to 8 RAW_FILE_NAME=Maryam_2nd-set_Urine_Control_C5_D8.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_Control_C6_D8 Group:Control_Day 0 to 8 RAW_FILE_NAME=Maryam_2nd-set_Urine_Control_C6_D8.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_Control_C7_D8 Group:Control_Day 0 to 8 RAW_FILE_NAME=Maryam_2nd-set_Urine_Control_C7_D8.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_Control_C1_D12 Group:Control_Day 0 to 12 RAW_FILE_NAME=Maryam_2nd-set_Urine_Control_C1_D12.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_Control_C2_D12 Group:Control_Day 0 to 12 RAW_FILE_NAME=Maryam_2nd-set_Urine_Control_C2_D12.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_Control_C3_D12 Group:Control_Day 0 to 12 RAW_FILE_NAME=Maryam_2nd-set_Urine_Control_C3_D12.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_Control_C4_D12 Group:Control_Day 0 to 12 RAW_FILE_NAME=Maryam_2nd-set_Urine_Control_C4_D12.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_Control_C5_D12 Group:Control_Day 0 to 12 RAW_FILE_NAME=Maryam_2nd-set_Urine_Control_C5_D12.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_Control_C6_D12 Group:Control_Day 0 to 12 RAW_FILE_NAME=Maryam_2nd-set_Urine_Control_C6_D12.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_Control_C7_D12 Group:Control_Day 0 to 12 RAW_FILE_NAME=Maryam_2nd-set_Urine_Control_C7_D12.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_Control_C1_D16 Group:Control_Day 0 to 16 RAW_FILE_NAME=Maryam_2nd-set_Urine_Control_C1_D16.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_Control_C2_D16 Group:Control_Day 0 to 16 RAW_FILE_NAME=Maryam_2nd-set_Urine_Control_C2_D16.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_Control_C3_D16 Group:Control_Day 0 to 16 RAW_FILE_NAME=Maryam_2nd-set_Urine_Control_C3_D16.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_Control_C4_D16 Group:Control_Day 0 to 16 RAW_FILE_NAME=Maryam_2nd-set_Urine_Control_C4_D16.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_Control_C5_D16 Group:Control_Day 0 to 16 RAW_FILE_NAME=Maryam_2nd-set_Urine_Control_C5_D16.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_Control_C7_D16 Group:Control_Day 0 to 16 RAW_FILE_NAME=Maryam_2nd-set_Urine_Control_C7_D16.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_Control_C1_D20 Group:Control_Day 0 to 20 RAW_FILE_NAME=Maryam_2nd-set_Urine_Control_C1_D20.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_Control_C2_D20 Group:Control_Day 0 to 20 RAW_FILE_NAME=Maryam_2nd-set_Urine_Control_C2_D20.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_Control_C3_D20 Group:Control_Day 0 to 20 RAW_FILE_NAME=Maryam_2nd-set_Urine_Control_C3_D20.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_Control_C7_D20 Group:Control_Day 0 to 20 RAW_FILE_NAME=Maryam_2nd-set_Urine_Control_C7_D20.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_DC_Vaccine_D1_Post Group:DC_Vaccine_Day 0 to 1 RAW_FILE_NAME=Maryam_2nd-set_Urine_DC_Vaccine_D1_Post.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_DC_Vaccine_D2_Post Group:DC_Vaccine_Day 0 to 1 RAW_FILE_NAME=Maryam_2nd-set_Urine_DC_Vaccine_D2_Post.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_DC_Vaccine_D3_Post Group:DC_Vaccine_Day 0 to 1 RAW_FILE_NAME=Maryam_2nd-set_Urine_DC_Vaccine_D3_Post.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_DC_Vaccine_D4_Post Group:DC_Vaccine_Day 0 to 1 RAW_FILE_NAME=Maryam_2nd-set_Urine_DC_Vaccine_D4_Post.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_DC_Vaccine_D5_Post Group:DC_Vaccine_Day 0 to 1 RAW_FILE_NAME=Maryam_2nd-set_Urine_DC_Vaccine_D5_Post.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_DC_Vaccine_D6_Post Group:DC_Vaccine_Day 0 to 1 RAW_FILE_NAME=Maryam_2nd-set_Urine_DC_Vaccine_D6_Post.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_DC_Vaccine_D7_Post Group:DC_Vaccine_Day 0 to 1 RAW_FILE_NAME=Maryam_2nd-set_Urine_DC_Vaccine_D7_Post.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_DC_Vaccine_D8_Post Group:DC_Vaccine_Day 0 to 1 RAW_FILE_NAME=Maryam_2nd-set_Urine_DC_Vaccine_D8_Post.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_DC_Vaccine_D9_Post Group:DC_Vaccine_Day 0 to 1 RAW_FILE_NAME=Maryam_2nd-set_Urine_DC_Vaccine_D9_Post.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_DC_Vaccine_D10_Post Group:DC_Vaccine_Day 0 to 1 RAW_FILE_NAME=Maryam_2nd-set_Urine_DC_Vaccine_D10_Post.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_DC_Vaccine_D1_D8 Group:DC_Vaccine_Day 0 to 8 RAW_FILE_NAME=Maryam_2nd-set_Urine_DC_Vaccine_D1_D8.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_DC_Vaccine_D2_D8 Group:DC_Vaccine_Day 0 to 8 RAW_FILE_NAME=Maryam_2nd-set_Urine_DC_Vaccine_D2_D8.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_DC_Vaccine_D3_D8 Group:DC_Vaccine_Day 0 to 8 RAW_FILE_NAME=Maryam_2nd-set_Urine_DC_Vaccine_D3_D8.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_DC_Vaccine_D4_D8 Group:DC_Vaccine_Day 0 to 8 RAW_FILE_NAME=Maryam_2nd-set_Urine_DC_Vaccine_D4_D8.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_DC_Vaccine_D5_D8 Group:DC_Vaccine_Day 0 to 8 RAW_FILE_NAME=Maryam_2nd-set_Urine_DC_Vaccine_D5_D8.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_DC_Vaccine_D6_D8 Group:DC_Vaccine_Day 0 to 8 RAW_FILE_NAME=Maryam_2nd-set_Urine_DC_Vaccine_D6_D8.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_DC_Vaccine_D7_D8 Group:DC_Vaccine_Day 0 to 8 RAW_FILE_NAME=Maryam_2nd-set_Urine_DC_Vaccine_D7_D8.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_DC_Vaccine_D8_D8 Group:DC_Vaccine_Day 0 to 8 RAW_FILE_NAME=Maryam_2nd-set_Urine_DC_Vaccine_D8_D8.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_DC_Vaccine_D9_D8 Group:DC_Vaccine_Day 0 to 8 RAW_FILE_NAME=Maryam_2nd-set_Urine_DC_Vaccine_D9_D8.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_DC_Vaccine_D10_D8 Group:DC_Vaccine_Day 0 to 8 RAW_FILE_NAME=Maryam_2nd-set_Urine_DC_Vaccine_D10_D8.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_DC_Vaccine_D1_D12 Group:DC_Vaccine_Day 0 to 12 RAW_FILE_NAME=Maryam_2nd-set_Urine_DC_Vaccine_D1_D12.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_DC_Vaccine_D2_D12 Group:DC_Vaccine_Day 0 to 12 RAW_FILE_NAME=Maryam_2nd-set_Urine_DC_Vaccine_D2_D12.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_DC_Vaccine_D3_D12 Group:DC_Vaccine_Day 0 to 12 RAW_FILE_NAME=Maryam_2nd-set_Urine_DC_Vaccine_D3_D12.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_DC_Vaccine_D4_D12 Group:DC_Vaccine_Day 0 to 12 RAW_FILE_NAME=Maryam_2nd-set_Urine_DC_Vaccine_D4_D12.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_DC_Vaccine_D5_D12 Group:DC_Vaccine_Day 0 to 12 RAW_FILE_NAME=Maryam_2nd-set_Urine_DC_Vaccine_D5_D12.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_DC_Vaccine_D6_D12 Group:DC_Vaccine_Day 0 to 12 RAW_FILE_NAME=Maryam_2nd-set_Urine_DC_Vaccine_D6_D12.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_DC_Vaccine_D7_D12 Group:DC_Vaccine_Day 0 to 12 RAW_FILE_NAME=Maryam_2nd-set_Urine_DC_Vaccine_D7_D12.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_DC_Vaccine_D8_D12 Group:DC_Vaccine_Day 0 to 12 RAW_FILE_NAME=Maryam_2nd-set_Urine_DC_Vaccine_D8_D12.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_DC_Vaccine_D9_D12 Group:DC_Vaccine_Day 0 to 12 RAW_FILE_NAME=Maryam_2nd-set_Urine_DC_Vaccine_D9_D12.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_DC_Vaccine_D10_D12 Group:DC_Vaccine_Day 0 to 12 RAW_FILE_NAME=Maryam_2nd-set_Urine_DC_Vaccine_D10_D12.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_DC_Vaccine_D1_D16 Group:DC_Vaccine_Day 0 to 16 RAW_FILE_NAME=Maryam_2nd-set_Urine_DC_Vaccine_D1_D16.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_DC_Vaccine_D2_D16 Group:DC_Vaccine_Day 0 to 16 RAW_FILE_NAME=Maryam_2nd-set_Urine_DC_Vaccine_D2_D16.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_DC_Vaccine_D3_D16 Group:DC_Vaccine_Day 0 to 16 RAW_FILE_NAME=Maryam_2nd-set_Urine_DC_Vaccine_D3_D16.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_DC_Vaccine_D4_D16 Group:DC_Vaccine_Day 0 to 16 RAW_FILE_NAME=Maryam_2nd-set_Urine_DC_Vaccine_D4_D16.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_DC_Vaccine_D5_D16 Group:DC_Vaccine_Day 0 to 16 RAW_FILE_NAME=Maryam_2nd-set_Urine_DC_Vaccine_D5_D16.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_DC_Vaccine_D6_D16 Group:DC_Vaccine_Day 0 to 16 RAW_FILE_NAME=Maryam_2nd-set_Urine_DC_Vaccine_D6_D16.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_DC_Vaccine_D7_D16 Group:DC_Vaccine_Day 0 to 16 RAW_FILE_NAME=Maryam_2nd-set_Urine_DC_Vaccine_D7_D16.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_DC_Vaccine_D8_D16 Group:DC_Vaccine_Day 0 to 16 RAW_FILE_NAME=Maryam_2nd-set_Urine_DC_Vaccine_D8_D16.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_DC_Vaccine_D9_D16 Group:DC_Vaccine_Day 0 to 16 RAW_FILE_NAME=Maryam_2nd-set_Urine_DC_Vaccine_D9_D16.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_DC_Vaccine_D10_D16 Group:DC_Vaccine_Day 0 to 16 RAW_FILE_NAME=Maryam_2nd-set_Urine_DC_Vaccine_D10_D16.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_DC_Vaccine_D1_D20 Group:DC_Vaccine_Day 0 to 20 RAW_FILE_NAME=Maryam_2nd-set_Urine_DC_Vaccine_D1_D20.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_DC_Vaccine_D2_D20 Group:DC_Vaccine_Day 0 to 20 RAW_FILE_NAME=Maryam_2nd-set_Urine_DC_Vaccine_D2_D20.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_DC_Vaccine_D3_D20 Group:DC_Vaccine_Day 0 to 20 RAW_FILE_NAME=Maryam_2nd-set_Urine_DC_Vaccine_D3_D20.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_DC_Vaccine_D4_D20 Group:DC_Vaccine_Day 0 to 20 RAW_FILE_NAME=Maryam_2nd-set_Urine_DC_Vaccine_D4_D20.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_DC_Vaccine_D5_D20 Group:DC_Vaccine_Day 0 to 20 RAW_FILE_NAME=Maryam_2nd-set_Urine_DC_Vaccine_D5_D20.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_DC_Vaccine_D7_D20 Group:DC_Vaccine_Day 0 to 20 RAW_FILE_NAME=Maryam_2nd-set_Urine_DC_Vaccine_D7_D20.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_DC_Vaccine_D8_D20 Group:DC_Vaccine_Day 0 to 20 RAW_FILE_NAME=Maryam_2nd-set_Urine_DC_Vaccine_D8_D20.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_DC_Vaccine_D9_D20 Group:DC_Vaccine_Day 0 to 20 RAW_FILE_NAME=Maryam_2nd-set_Urine_DC_Vaccine_D9_D20.raw SUBJECT_SAMPLE_FACTORS - Maryam_2nd-set_Urine_DC_Vaccine_D10_D20 Group:DC_Vaccine_Day 0 to 20 RAW_FILE_NAME=Maryam_2nd-set_Urine_DC_Vaccine_D10_D20.raw #COLLECTION CO:COLLECTION_SUMMARY Intakt urine samples were collected from C57/Bl6 mice. Urine is collected from a CO:COLLECTION_SUMMARY clean surface after urination. CO:SAMPLE_TYPE Urine CO:COLLECTION_METHOD Each animal was in a separate chamber individually. The chamber bottom was CO:COLLECTION_METHOD covered with clean parafilm. Animals were kept in the chamber until urination. CO:COLLECTION_METHOD Urine drops were collected using sterile syringes. Samples were stored at -80 CO:COLLECTION_METHOD °C until further analysis. CO:COLLECTION_LOCATION University of Florida, Neurosurgery Department, Medical college, University of CO:COLLECTION_LOCATION Florida CO:COLLECTION_FREQUENCY Post-vaccination day 1, day 8, day 12, day 16, and day 20 CO:COLLECTION_DURATION ~30 minutes CO:VOLUMEORAMOUNT_COLLECTED ~100 uL CO:STORAGE_CONDITIONS -80℃ CO:COLLECTION_VIALS cryovials CO:STORAGE_VIALS cryovials #TREATMENT TR:TREATMENT_SUMMARY "DC vaccine treatment Naïve C57/BL6 mice were used for tumor implantation. TR:TREATMENT_SUMMARY B16F10-OVA (2 × 104 cells/brain) tumor cell lines were injected intracranially. TR:TREATMENT_SUMMARY Antigen specific T cells (3 × 107 cells/50 µL of PBS) were infused into the TR:TREATMENT_SUMMARY animals intravenous (IV) five days after tumor implantation and the DC vaccine TR:TREATMENT_SUMMARY (1x106 cells/50 µL of PBS per animal) was injected intradermally on the same TR:TREATMENT_SUMMARY day. Both antigen-specific T cells and DC vaccine were administered once. Urine TR:TREATMENT_SUMMARY samples were collected after DC vaccination at several timepoints. Finally, TR:TREATMENT_SUMMARY animals were euthanized when they reached the endpoints. Sample collection Each TR:TREATMENT_SUMMARY animal was in a separate chamber individually. The chamber bottom was covered TR:TREATMENT_SUMMARY with clean parafilm. Animals were kept in the chamber until urination. Urine TR:TREATMENT_SUMMARY drops were collected using sterile syringes. Samples were stored at -80 °C TR:TREATMENT_SUMMARY until further analysis. Serum samples were collected from peripheral blood. " TR:ANIMAL_ANESTHESIA isoflurane TR:ANIMAL_FASTING non-fasted TR:ANIMAL_ENDP_EUTHANASIA Euthanasia was carried out by thoracotomy followed by cervical dislocation. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY No filtration was performed for urine samples. The urine samples were SP:SAMPLEPREP_SUMMARY centrifuged at 4 oC, with 13.2 K rpm speed before mixing it with an internal SP:SAMPLEPREP_SUMMARY reference and phosphate buffer system. SP:SAMPLEPREP_PROTOCOL_FILENAME DC_Vaccine_treated_NMR_urine_Procedures.docx SP:PROCESSING_METHOD None SP:PROCESSING_STORAGE_CONDITIONS -80℃ SP:EXTRACTION_METHOD None SP:EXTRACT_STORAGE -80℃ SP:SAMPLE_RESUSPENSION In 500 microliter of 150 mM phosphate buffer (pH 7.2) with 2 mM EDTA, 0.5 mM DSS SP:SAMPLE_RESUSPENSION and 0.2% sodium azide for aqueous phase samples. SP:SAMPLE_SPIKING 0.5 mM DSS for urine samples #ANALYSIS AN:DATA_FORMAT fid, 1r #NMR NM:INSTRUMENT_NAME Bruker 600 MHz NM:INSTRUMENT_TYPE FT-NMR NM:NMR_EXPERIMENT_TYPE 1D-1H NM:FIELD_FREQUENCY_LOCK Deuterium NM:STANDARD_CONCENTRATION 0.5mM DSS NM:SPECTROMETER_FREQUENCY 600 MHz NM:NMR_PROBE Z44866_0026 (CP TXI 600S3 H-C/N-D-05 Z) NM:NMR_SOLVENT Phosphate buffer (pH 7.2) + 2 mM EDTA + 0.5 mM DSS + 0.2% of sodium azide in NM:NMR_SOLVENT deuterated environment NM:NMR_TUBE_SIZE 5 mm O.D. NM:SHIMMING_METHOD Topshim NM:PULSE_SEQUENCE noesypr1d NM:WATER_SUPPRESSION presat NM:PULSE_WIDTH 90-degree NM:RECEIVER_GAIN 101 NM:OFFSET_FREQUENCY 4.78 ppm NM:CHEMICAL_SHIFT_REF_CPD DSS NM:TEMPERATURE 298.2 oK NM:NUMBER_OF_SCANS 64 NM:DUMMY_SCANS 8 NM:ACQUISITION_TIME 4s NM:RELAXATION_DELAY 1s NM:SPECTRAL_WIDTH 7142.9 Hz NM:NUM_DATA_POINTS_ACQUIRED 28572 NM:REAL_DATA_POINTS 65536 NM:LINE_BROADENING 0.22 Hz NM:ZERO_FILLING 65,536 points NM:APODIZATION Exponential NM:BASELINE_CORRECTION_METHOD Spline NM:CHEMICAL_SHIFT_REF_STD 0 ppm for DSS #NMR_METABOLITE_DATA NMR_METABOLITE_DATA:UNITS mM NMR_METABOLITE_DATA_START Samples Maryam_2nd-set_Urine_Control_C1_Post Maryam_2nd-set_Urine_Control_C2_Post Maryam_2nd-set_Urine_Control_C3_Post Maryam_2nd-set_Urine_Control_C4_Post Maryam_2nd-set_Urine_Control_C5_Post Maryam_2nd-set_Urine_Control_C6_Post Maryam_2nd-set_Urine_Control_C7_Post Maryam_2nd-set_Urine_Control_C1_D8 Maryam_2nd-set_Urine_Control_C2_D8 Maryam_2nd-set_Urine_Control_C3_D8 Maryam_2nd-set_Urine_Control_C4_D8 Maryam_2nd-set_Urine_Control_C5_D8 Maryam_2nd-set_Urine_Control_C6_D8 Maryam_2nd-set_Urine_Control_C7_D8 Maryam_2nd-set_Urine_Control_C1_D12 Maryam_2nd-set_Urine_Control_C2_D12 Maryam_2nd-set_Urine_Control_C3_D12 Maryam_2nd-set_Urine_Control_C4_D12 Maryam_2nd-set_Urine_Control_C5_D12 Maryam_2nd-set_Urine_Control_C6_D12 Maryam_2nd-set_Urine_Control_C7_D12 Maryam_2nd-set_Urine_Control_C1_D16 Maryam_2nd-set_Urine_Control_C2_D16 Maryam_2nd-set_Urine_Control_C3_D16 Maryam_2nd-set_Urine_Control_C4_D16 Maryam_2nd-set_Urine_Control_C5_D16 Maryam_2nd-set_Urine_Control_C7_D16 Maryam_2nd-set_Urine_Control_C1_D20 Maryam_2nd-set_Urine_Control_C2_D20 Maryam_2nd-set_Urine_Control_C3_D20 Maryam_2nd-set_Urine_Control_C7_D20 Maryam_2nd-set_Urine_DC_Vaccine_D1_Post Maryam_2nd-set_Urine_DC_Vaccine_D2_Post Maryam_2nd-set_Urine_DC_Vaccine_D3_Post Maryam_2nd-set_Urine_DC_Vaccine_D4_Post Maryam_2nd-set_Urine_DC_Vaccine_D5_Post Maryam_2nd-set_Urine_DC_Vaccine_D6_Post Maryam_2nd-set_Urine_DC_Vaccine_D7_Post Maryam_2nd-set_Urine_DC_Vaccine_D8_Post Maryam_2nd-set_Urine_DC_Vaccine_D9_Post Maryam_2nd-set_Urine_DC_Vaccine_D10_Post Maryam_2nd-set_Urine_DC_Vaccine_D1_D8 Maryam_2nd-set_Urine_DC_Vaccine_D2_D8 Maryam_2nd-set_Urine_DC_Vaccine_D3_D8 Maryam_2nd-set_Urine_DC_Vaccine_D4_D8 Maryam_2nd-set_Urine_DC_Vaccine_D5_D8 Maryam_2nd-set_Urine_DC_Vaccine_D6_D8 Maryam_2nd-set_Urine_DC_Vaccine_D7_D8 Maryam_2nd-set_Urine_DC_Vaccine_D8_D8 Maryam_2nd-set_Urine_DC_Vaccine_D9_D8 Maryam_2nd-set_Urine_DC_Vaccine_D10_D8 Maryam_2nd-set_Urine_DC_Vaccine_D1_D12 Maryam_2nd-set_Urine_DC_Vaccine_D2_D12 Maryam_2nd-set_Urine_DC_Vaccine_D3_D12 Maryam_2nd-set_Urine_DC_Vaccine_D4_D12 Maryam_2nd-set_Urine_DC_Vaccine_D5_D12 Maryam_2nd-set_Urine_DC_Vaccine_D6_D12 Maryam_2nd-set_Urine_DC_Vaccine_D7_D12 Maryam_2nd-set_Urine_DC_Vaccine_D8_D12 Maryam_2nd-set_Urine_DC_Vaccine_D9_D12 Maryam_2nd-set_Urine_DC_Vaccine_D10_D12 Maryam_2nd-set_Urine_DC_Vaccine_D1_D16 Maryam_2nd-set_Urine_DC_Vaccine_D2_D16 Maryam_2nd-set_Urine_DC_Vaccine_D3_D16 Maryam_2nd-set_Urine_DC_Vaccine_D4_D16 Maryam_2nd-set_Urine_DC_Vaccine_D5_D16 Maryam_2nd-set_Urine_DC_Vaccine_D6_D16 Maryam_2nd-set_Urine_DC_Vaccine_D7_D16 Maryam_2nd-set_Urine_DC_Vaccine_D8_D16 Maryam_2nd-set_Urine_DC_Vaccine_D9_D16 Maryam_2nd-set_Urine_DC_Vaccine_D10_D16 Maryam_2nd-set_Urine_DC_Vaccine_D1_D20 Maryam_2nd-set_Urine_DC_Vaccine_D2_D20 Maryam_2nd-set_Urine_DC_Vaccine_D3_D20 Maryam_2nd-set_Urine_DC_Vaccine_D4_D20 Maryam_2nd-set_Urine_DC_Vaccine_D5_D20 Maryam_2nd-set_Urine_DC_Vaccine_D7_D20 Maryam_2nd-set_Urine_DC_Vaccine_D8_D20 Maryam_2nd-set_Urine_DC_Vaccine_D9_D20 Maryam_2nd-set_Urine_DC_Vaccine_D10_D20 Factors Group:Control_Day 0 to 1 Group:Control_Day 0 to 1 Group:Control_Day 0 to 1 Group:Control_Day 0 to 1 Group:Control_Day 0 to 1 Group:Control_Day 0 to 1 Group:Control_Day 0 to 1 Group:Control_Day 0 to 8 Group:Control_Day 0 to 8 Group:Control_Day 0 to 8 Group:Control_Day 0 to 8 Group:Control_Day 0 to 8 Group:Control_Day 0 to 8 Group:Control_Day 0 to 8 Group:Control_Day 0 to 12 Group:Control_Day 0 to 12 Group:Control_Day 0 to 12 Group:Control_Day 0 to 12 Group:Control_Day 0 to 12 Group:Control_Day 0 to 12 Group:Control_Day 0 to 12 Group:Control_Day 0 to 16 Group:Control_Day 0 to 16 Group:Control_Day 0 to 16 Group:Control_Day 0 to 16 Group:Control_Day 0 to 16 Group:Control_Day 0 to 16 Group:Control_Day 0 to 20 Group:Control_Day 0 to 20 Group:Control_Day 0 to 20 Group:Control_Day 0 to 20 Group:DC_Vaccine_Day 0 to 1 Group:DC_Vaccine_Day 0 to 1 Group:DC_Vaccine_Day 0 to 1 Group:DC_Vaccine_Day 0 to 1 Group:DC_Vaccine_Day 0 to 1 Group:DC_Vaccine_Day 0 to 1 Group:DC_Vaccine_Day 0 to 1 Group:DC_Vaccine_Day 0 to 1 Group:DC_Vaccine_Day 0 to 1 Group:DC_Vaccine_Day 0 to 1 Group:DC_Vaccine_Day 0 to 8 Group:DC_Vaccine_Day 0 to 8 Group:DC_Vaccine_Day 0 to 8 Group:DC_Vaccine_Day 0 to 8 Group:DC_Vaccine_Day 0 to 8 Group:DC_Vaccine_Day 0 to 8 Group:DC_Vaccine_Day 0 to 8 Group:DC_Vaccine_Day 0 to 8 Group:DC_Vaccine_Day 0 to 8 Group:DC_Vaccine_Day 0 to 8 Group:DC_Vaccine_Day 0 to 12 Group:DC_Vaccine_Day 0 to 12 Group:DC_Vaccine_Day 0 to 12 Group:DC_Vaccine_Day 0 to 12 Group:DC_Vaccine_Day 0 to 12 Group:DC_Vaccine_Day 0 to 12 Group:DC_Vaccine_Day 0 to 12 Group:DC_Vaccine_Day 0 to 12 Group:DC_Vaccine_Day 0 to 12 Group:DC_Vaccine_Day 0 to 12 Group:DC_Vaccine_Day 0 to 16 Group:DC_Vaccine_Day 0 to 16 Group:DC_Vaccine_Day 0 to 16 Group:DC_Vaccine_Day 0 to 16 Group:DC_Vaccine_Day 0 to 16 Group:DC_Vaccine_Day 0 to 16 Group:DC_Vaccine_Day 0 to 16 Group:DC_Vaccine_Day 0 to 16 Group:DC_Vaccine_Day 0 to 16 Group:DC_Vaccine_Day 0 to 16 Group:DC_Vaccine_Day 0 to 20 Group:DC_Vaccine_Day 0 to 20 Group:DC_Vaccine_Day 0 to 20 Group:DC_Vaccine_Day 0 to 20 Group:DC_Vaccine_Day 0 to 20 Group:DC_Vaccine_Day 0 to 20 Group:DC_Vaccine_Day 0 to 20 Group:DC_Vaccine_Day 0 to 20 Group:DC_Vaccine_Day 0 to 20 Formate 0.0050 0.0077 0.0157 0.0263 0.0379 0.0339 0.0382 0.0030 0.0079 0.0189 0.0202 0.0289 0.0214 0.0102 0.0100 0.0100 0.0287 0.0128 0.0152 0.0193 0.0095 0.0126 0.0128 0.0083 0.0361 0.0145 0.0069 0.0099 0.0081 0.0108 0.0046 0.0338 0.0209 0.0188 0.0192 0.0179 0.0258 0.0213 0.0102 0.0121 0.0328 0.0740 0.0215 0.0466 0.0641 0.0204 0.0099 0.0360 0.0168 0.0467 0.0315 0.0131 0.0212 0.0161 0.0081 0.0111 0.0066 0.0180 0.0028 0.0080 0.0139 0.0062 0.0037 0.0074 0.0049 0.0078 0.0348 0.0026 0.0162 0.0165 0.0202 0.0149 0.0068 0.0118 0.0020 0.0127 0.0228 0.0076 0.0108 0.0143 3-Indoxylsulfate 0.0448 0.0406 0.2322 0.2005 0.1829 0.2959 0.1768 0.1256 0.1125 0.1906 0.0375 0.1301 0.2063 0.1120 0.1895 0.1252 0.0745 0.1378 0.2378 0.1676 0.2601 0.2666 0.1726 0.1795 0.0786 0.0715 0.1223 0.0962 0.0325 0.0517 0.0596 0.1760 0.1033 0.2195 0.0281 0.1248 0.2056 0.0883 0.0748 0.1278 0.1575 0.2440 0.2294 0.1712 0.0692 0.0931 0.0612 0.2072 0.1545 0.1864 0.2065 0.3967 0.3263 0.1014 0.1506 0.1384 0.1111 0.2406 0.0213 0.1170 0.1465 0.1617 0.1777 0.2093 0.0442 0.0934 0.0151 0.1066 0.2058 0.2831 0.3347 0.1554 0.1218 0.3311 0.0124 0.1364 0.0529 0.0673 0.2712 0.2770 Hippurate 0.0766 0.0712 0.1341 0.2877 0.1753 0.3283 0.2398 0.0901 0.1407 0.2404 0.2151 0.1879 0.3163 0.1680 0.2156 0.1606 0.2179 0.1307 0.2594 0.3047 0.2558 0.2127 0.1664 0.1902 0.1202 0.1210 0.1348 0.1163 0.0524 0.0661 0.0303 0.3111 0.1208 0.2507 0.1426 0.1876 0.2497 0.1568 0.1425 0.2088 0.2276 0.4630 0.5073 0.2007 0.3191 0.2426 0.0478 0.4154 0.1980 0.2543 0.3158 0.3494 0.3062 0.0000 0.2009 0.1921 0.0201 0.2110 0.0264 0.0945 0.1277 0.1909 0.1066 0.0873 0.0639 0.1155 0.0441 0.1034 0.2376 0.1980 0.2432 0.0864 0.1092 0.2725 0.0033 0.1810 0.0105 0.0681 0.2384 0.2815 Phenylalanine 0.1088 0.0623 0.2942 0.3359 0.2248 0.3561 0.3708 0.2783 0.1443 0.2545 0.2362 0.2919 0.3163 0.1828 0.2002 0.2899 0.2691 0.1773 0.3348 0.2248 0.2994 0.2465 0.2282 0.1894 0.2931 0.1848 0.1460 0.1332 0.1399 0.1022 0.1099 0.1779 0.1570 0.2512 0.1262 0.2745 0.4347 0.1605 0.1477 0.2122 0.2636 0.3132 0.3249 0.2062 0.2665 0.2001 0.0857 0.3033 0.2900 0.2631 0.2633 0.6405 0.4802 0.1550 0.2759 0.2834 0.2244 0.5180 0.1154 0.3010 0.2340 0.2836 0.3479 0.3018 0.1700 0.1701 0.2007 0.2344 0.3568 0.4068 0.4995 0.2081 0.2939 0.3696 0.0498 0.2821 0.0612 0.1092 0.3901 0.4471 Histidine 0.0408 0.0346 0.0513 0.0916 0.0686 0.1238 0.0930 0.0543 0.0698 0.1282 0.1116 0.0892 0.1381 0.0732 0.0888 0.0828 0.0867 0.0885 0.0858 0.1713 0.1044 0.1146 0.0980 0.0812 0.0929 0.0599 0.0652 0.0874 0.0260 0.0591 0.0365 0.1077 0.0400 0.1831 0.0380 0.0935 0.0876 0.1004 0.0422 0.0714 0.1036 0.1207 0.1328 0.1451 0.0881 0.0888 0.0411 0.2146 0.1480 0.1513 0.1198 0.0732 0.0858 0.0003 0.0373 0.0435 0.0634 0.1226 0.0244 0.0719 0.0838 0.0481 0.0299 0.0531 0.0161 0.0404 0.0580 0.0726 0.1046 0.1196 0.1119 0.0992 0.0343 0.0635 0.0001 0.0951 0.0012 0.0426 0.1014 0.0931 Tyrosine 0.0800 0.0554 0.0920 0.1828 0.0995 0.1582 0.1440 0.0769 0.0737 0.1293 0.2461 0.1522 0.1833 0.0977 0.1042 0.1179 0.1816 0.1180 0.1492 0.1783 0.1210 0.1308 0.1073 0.0864 0.2118 0.0892 0.0773 0.0973 0.0302 0.0860 0.0512 0.1579 0.0699 0.1742 0.0993 0.0955 0.1056 0.0808 0.0587 0.0893 0.1034 0.1851 0.2167 0.1518 0.2786 0.0972 0.0435 0.1936 0.1233 0.1438 0.1360 0.1453 0.1441 0.0001 0.1820 0.0929 0.0804 0.1413 0.0308 0.0952 0.1241 0.0673 0.0643 0.0766 0.0674 0.0556 0.0493 0.0777 0.1317 0.1180 0.1124 0.0971 0.0491 0.0925 0.0022 0.1017 0.0015 0.0489 0.1191 0.1151 3-Hydroxyphenylacetate 0.0486 0.0365 0.0450 0.1102 0.0692 0.1364 0.0907 0.0547 0.0719 0.1580 0.1176 0.1072 0.1510 0.0842 0.0983 0.0854 0.0572 0.0766 0.1303 0.1841 0.1172 0.1350 0.0756 0.0978 0.0718 0.0600 0.0791 0.1099 0.0096 0.0616 0.0306 0.1159 0.0452 0.1059 0.0379 0.0698 0.0660 0.0547 0.0360 0.0607 0.0990 0.1502 0.1687 0.1263 0.1302 0.0883 0.0487 0.1583 0.1187 0.1159 0.1304 0.1070 0.0960 0.0122 0.0498 0.0426 0.0652 0.0926 0.0207 0.0619 0.0638 0.0418 0.0363 0.0566 0.0116 0.0433 0.0058 0.0438 0.0953 0.1071 0.0730 0.0895 0.0247 0.0794 0.0044 0.0816 0.0006 0.0352 0.0847 0.0607 Cis-acotinate 0.0540 0.0794 0.2955 0.2277 0.1828 0.3613 0.1971 0.1787 0.1595 0.4754 0.1525 0.5466 0.2539 0.0759 0.3283 0.2427 0.1717 0.1519 0.3613 0.4870 0.2429 0.3119 0.3108 0.1869 0.2760 0.1899 0.1305 0.1970 0.4569 0.1651 0.0501 0.1303 0.0540 0.2630 0.1361 0.1547 0.1850 0.1782 0.1132 0.4012 0.2086 0.3071 0.1332 0.2949 0.2248 0.1791 0.0538 0.3054 0.3165 0.3381 0.2637 0.5333 0.1920 0.1233 0.3125 0.1462 0.1079 0.4289 0.0706 0.1169 0.1161 0.1067 0.1772 0.0891 0.2220 0.1072 0.0023 0.2220 0.1697 0.1419 0.1085 0.1523 0.0924 0.2338 0.0009 0.2308 0.0320 0.0617 0.2098 0.1797 allantoin 0.0773 0.1588 0.3658 0.1327 0.1451 0.2717 0.1112 0.3087 0.2384 0.4545 0.1452 0.2720 0.2363 0.0874 0.4300 0.2450 0.2631 0.1566 0.2689 0.3351 0.2420 0.3768 0.3459 0.2078 0.1310 0.2426 0.1261 0.3388 0.3659 0.2048 0.0984 0.1275 0.0708 0.1837 0.0295 0.0646 0.0650 0.0419 0.0409 0.0951 0.0560 0.2544 0.1130 0.2135 0.0380 0.0499 0.0121 0.0627 0.0775 0.3345 0.0381 0.4566 0.2165 0.0946 0.0611 0.0745 0.0651 0.1137 0.0346 0.0385 0.0495 0.0906 0.1614 0.2466 0.0406 0.0500 0.0905 0.0935 0.0897 0.3609 0.0981 0.1204 0.2214 0.1706 0.0277 0.0781 0.0274 0.0325 0.3477 0.0674 Glucose 0.0131 0.0150 0.0251 0.0348 0.0459 0.0612 0.0319 0.0296 0.0310 0.0772 0.0656 0.0692 0.0654 0.0368 0.0685 0.0394 0.0679 0.0499 0.0635 0.0821 0.0339 0.0652 0.0411 0.0239 0.0447 0.0502 0.0409 0.0676 0.0379 0.0257 0.0336 0.0660 0.0255 0.0457 0.0143 0.0317 0.0401 0.0157 0.0173 0.0404 0.0617 0.0813 0.0519 0.0422 0.0433 0.0307 0.0096 0.0600 0.0406 0.0727 0.0602 0.0665 0.0322 0.0245 0.0200 0.0169 0.0279 0.0411 0.0146 0.0056 0.0299 0.0186 0.0172 0.0483 0.0126 0.0183 0.0754 0.0211 0.0401 0.0608 0.0447 0.0470 0.0196 0.0264 0.0019 0.0313 0.0086 0.0155 0.0304 0.0261 N-Acetylglucosamine 0.0002 0.0025 0.0056 0.0044 0.0024 0.0078 0.0078 0.0029 0.0011 0.0087 0.0037 0.0107 0.0052 0.0012 0.0119 0.0215 0.0011 0.0109 0.0101 0.0165 0.0106 0.0143 0.0088 0.0030 0.0049 0.0060 0.0000 0.0003 0.0084 0.0043 0.0033 0.0102 0.0058 0.0127 0.0027 0.0038 0.0065 0.0062 0.0041 0.0140 0.0032 0.0092 0.0110 0.0000 0.0028 0.0010 0.0024 0.0047 0.0022 0.0097 0.0110 0.0543 0.0232 0.0001 0.0154 0.0077 0.0043 0.0313 0.0052 0.0106 0.0093 0.0056 0.0070 0.0122 0.0042 0.0039 0.0464 0.0257 0.0060 0.0075 0.0123 0.0073 0.0040 0.0142 0.0002 0.0069 0.0074 0.0026 0.0175 0.0071 Taurine 2.3346 1.5178 4.8539 4.8984 4.0229 7.8163 4.6842 2.7990 3.0181 4.4277 8.0878 5.3775 6.5970 1.6584 5.5521 6.9353 9.9548 7.2885 5.7270 5.2946 6.1400 6.5409 5.5733 4.3558 9.1504 5.0407 3.5652 2.5925 4.5615 2.9695 2.1386 5.0892 3.2574 8.2878 2.0923 3.9123 8.1401 3.5523 3.1078 5.4737 3.9935 2.8541 3.6995 4.3657 2.5662 1.6535 1.2721 2.7010 4.1368 3.1568 3.7717 7.6283 6.5573 4.4480 6.0432 4.3830 3.0019 8.4086 1.9633 3.5828 4.2604 4.8708 7.1963 6.4370 3.1553 2.4544 7.5247 3.4992 6.0538 4.4724 5.2005 4.2922 2.8635 6.2209 1.4799 4.9201 1.2492 2.1840 7.0762 7.2928 Choline 0.0219 0.0183 0.0276 0.0441 0.0268 0.0326 0.0338 0.0325 0.0295 0.0556 0.0795 0.0542 0.0569 0.0090 0.0123 0.0425 0.0889 0.0371 0.0316 0.0479 0.0302 0.0370 0.0337 0.0275 0.0861 0.0301 0.0218 0.0299 0.0227 0.0191 0.0090 0.0391 0.0158 0.0507 0.0298 0.0342 0.0462 0.0249 0.0193 0.0361 0.0365 0.0435 0.0258 0.0445 0.0528 0.0246 0.0039 0.0474 0.0403 0.0464 0.0320 0.0263 0.0155 0.0145 0.0352 0.0191 0.0210 0.0460 0.0094 0.0079 0.0196 0.0102 0.0280 0.0316 0.0224 0.0146 0.0211 0.0203 0.0380 0.0350 0.0381 0.0183 0.0178 0.0255 0.0082 0.0339 0.0087 0.0162 0.0387 0.0293 Dimethyl sulfone 0.0128 0.0120 0.0235 0.0286 0.0216 0.0292 0.0273 0.0214 0.0205 0.0387 0.0355 0.0365 0.0377 0.0077 0.0135 0.0323 0.0250 0.0289 0.0278 0.0383 0.0270 0.0296 0.0257 0.0223 0.0409 0.0239 0.0185 0.0296 0.0179 0.0143 0.0086 0.0269 0.0092 0.0334 0.0136 0.0214 0.0330 0.0177 0.0142 0.0275 0.0279 0.0256 0.0191 0.0335 0.0229 0.0146 0.0030 0.0338 0.0298 0.0254 0.0253 0.0255 0.0138 0.0167 0.0253 0.0147 0.0152 0.0359 0.0068 0.0081 0.0144 0.0110 0.0231 0.0263 0.0138 0.0107 0.0010 0.0192 0.0339 0.0273 0.0282 0.0159 0.0191 0.0241 0.0041 0.0205 0.0060 0.0128 0.0284 0.0277 Creatinine 0.2579 0.2249 0.4123 0.4254 0.2851 0.4645 0.3540 0.5951 0.4085 0.6176 0.4505 0.6112 0.6148 0.2339 0.5461 0.6308 0.4526 0.4873 0.5554 0.5538 0.5455 0.5792 0.5753 0.4104 0.5299 0.5274 0.3482 0.4868 0.5499 0.3617 0.2370 0.3380 0.2336 0.6292 0.2538 0.4433 0.5637 0.2994 0.2565 0.6389 0.5350 0.4775 0.3825 0.4558 0.2842 0.2631 0.1125 0.4705 0.5509 0.4185 0.4761 0.5489 0.4092 0.2717 0.4513 0.2523 0.3099 0.7292 0.2071 0.3314 0.3033 0.2563 0.5026 0.4621 0.3329 0.1858 0.8505 0.4167 0.6359 0.6332 0.6389 0.3330 0.7016 0.4890 0.2054 0.4403 0.2360 0.2294 0.6787 0.6367 Creatine 0.3348 0.3106 0.4424 0.4644 0.3778 0.4610 0.9309 0.4409 0.7802 0.8647 0.8986 1.0382 0.7393 0.1648 0.8073 1.0082 2.7602 1.2446 0.3076 0.4208 0.4111 0.6774 1.1024 0.3822 1.4361 2.2556 0.3046 0.5448 2.4085 2.2014 0.2508 0.4529 0.4091 0.3246 0.3878 0.2279 0.6799 0.2870 0.1683 0.3456 0.3946 0.6667 0.4513 1.0252 0.7164 0.0960 0.1569 0.5326 0.6583 0.6945 0.3377 0.5267 0.9205 0.5111 0.1970 0.1361 0.2563 0.5785 0.0812 0.1577 0.8840 0.5905 0.5904 0.4083 0.2076 0.0864 4.6953 0.1777 0.4476 0.2687 0.4611 0.3911 2.2805 0.3832 0.8534 0.2215 0.8116 0.1721 1.1484 0.3694 N,N-Dimethyl glycine 0.0341 0.0214 0.0318 0.0478 0.0531 0.0456 0.0660 0.0239 0.0284 0.0659 0.0882 0.0648 0.0671 0.0128 0.0165 0.0326 0.0987 0.0341 0.0366 0.0658 0.0373 0.0381 0.0299 0.0278 0.1081 0.0245 0.0221 0.0245 0.0275 0.0171 0.0097 0.0637 0.0477 0.0508 0.0506 0.0436 0.0677 0.0288 0.0211 0.0416 0.0605 0.0571 0.0708 0.0724 0.1130 0.0358 0.0060 0.0530 0.0407 0.0619 0.0429 0.0310 0.0193 0.0205 0.0342 0.0275 0.0138 0.0360 0.0056 0.0074 0.0172 0.0101 0.0217 0.0318 0.0220 0.0152 0.0075 0.0133 0.0358 0.0270 0.0286 0.0181 0.0117 0.0258 0.0090 0.0261 0.0098 0.0131 0.0311 0.0278 Citrate 1.4746 0.4038 2.4423 5.2787 3.4368 2.9435 4.0428 1.8968 1.3088 1.9969 9.2367 4.1268 3.1880 1.3606 1.7670 1.1574 10.2782 1.8928 2.6006 2.9678 2.4576 2.0564 0.8877 1.1130 8.8285 0.6216 0.9026 0.7628 1.0508 0.8417 0.4514 3.1977 1.0467 2.2135 3.0090 0.6875 2.2587 1.0174 0.8498 0.9961 2.4888 2.5537 5.4016 3.6497 7.4500 1.5541 0.8324 3.6656 2.0847 3.8125 2.2083 2.6701 2.5228 3.3364 13.8332 2.8809 0.9880 2.7366 0.8232 1.1857 2.6878 2.3409 0.8035 1.1236 6.7716 1.0353 0.4345 0.8399 1.0005 1.3691 0.8527 1.5773 0.3197 1.5489 0.0999 1.0804 0.2549 0.3688 1.7347 1.2374 2-Oxoglutarate 0.2323 0.1647 0.3890 0.5307 0.2885 0.4470 0.4148 0.5216 0.3233 0.6751 0.8582 0.7387 0.6970 0.1507 0.2849 0.4313 0.7826 0.4648 0.4567 0.6653 0.4616 0.4360 0.3839 0.3427 0.7255 0.3942 0.2656 0.3736 0.4607 0.2082 0.1144 0.4594 0.1737 0.5575 0.2946 0.3420 0.4573 0.2358 0.2012 0.4192 0.4456 0.4892 0.4899 0.6041 0.8170 0.2946 0.0603 0.6647 0.5607 0.5687 0.4530 0.4210 0.2042 0.2250 1.0122 0.2542 0.2192 0.5480 0.0943 0.0625 0.1840 0.1196 0.3243 0.3357 0.6449 0.1581 0.1938 0.2894 0.3812 0.3977 0.3896 0.2339 0.3472 0.4050 0.1316 0.3192 0.0003 0.1468 0.4422 0.3907 Succinate 0.1245 0.0640 0.1855 0.2329 0.1800 0.1835 0.2463 0.2176 0.1620 0.2387 0.3760 0.3317 0.3541 0.1236 0.1358 0.1647 0.3825 0.1803 0.1927 0.2635 0.2020 0.1917 0.1470 0.1164 0.4192 0.1357 0.0966 0.1235 0.2555 0.0985 0.0648 0.2247 0.1352 0.2154 0.1679 0.1455 0.2683 0.1266 0.0890 0.1970 0.2581 0.2281 0.3139 0.2979 0.5089 0.1452 0.0577 0.2645 0.2363 0.3022 0.2004 0.2099 0.1534 0.1744 0.5008 0.1712 0.1158 0.2269 0.0885 0.1063 0.1348 0.1054 0.1316 0.1245 0.3156 0.0938 0.0969 0.1046 0.1419 0.1556 0.1646 0.1166 0.1028 0.1358 0.0382 0.1386 0.0174 0.0525 0.1818 0.1694 N-Carbamoyl-ß-Alanine 0.4816 0.3917 0.6706 0.7327 0.5280 0.6690 0.7056 0.8400 0.5950 0.9733 1.2965 1.0733 1.0809 0.2808 0.4612 0.6589 1.0548 0.7555 0.6682 1.1431 0.8138 0.5919 0.5408 0.4599 1.0159 0.4865 0.3702 0.5249 0.4640 0.3456 0.1931 0.7636 0.5573 0.8765 0.5632 0.7503 1.0689 0.6188 0.4085 0.9120 0.7861 0.8625 0.7408 0.8700 1.0632 0.4643 0.1295 0.8584 0.8434 0.8314 0.6540 0.7595 0.4906 0.4126 1.0404 0.4693 0.4486 0.9383 0.2515 0.2888 0.4629 0.2414 0.6736 0.5658 0.7667 0.2522 0.1688 0.3818 0.6998 0.5821 0.6916 0.3632 0.3643 0.5629 0.2852 0.4926 0.0003 0.2617 0.6988 0.6433 Acetate 0.0480 0.0370 0.0622 0.0625 0.0839 0.0711 0.0949 0.0684 0.0645 0.1135 0.1026 0.1358 0.1141 0.0346 0.0554 0.0654 0.1284 0.0793 0.0717 0.1162 0.0732 0.0743 0.0667 0.0527 0.1348 0.0590 0.0427 0.0575 0.1450 0.0422 0.0286 0.1164 0.0538 0.0771 0.0615 0.0619 0.0893 0.0476 0.0418 0.0745 0.0967 0.1030 0.0969 0.0977 0.1357 0.0566 0.0226 0.1057 0.0875 0.1141 0.0839 0.0783 0.0487 0.0614 0.0585 0.0648 0.0427 0.0917 0.0310 0.0292 0.0682 0.0472 0.0519 0.0569 0.0347 0.0314 0.0839 0.0434 0.0651 0.0589 0.0707 0.0463 0.0465 0.0632 0.0278 0.0558 0.0129 0.0247 0.0804 0.0705 Alanine 0.0586 0.0393 0.0854 0.0990 0.0706 0.0941 0.1069 0.1377 0.0801 0.1820 0.1602 0.1816 0.1647 0.0470 0.0949 0.0920 0.1772 0.1291 0.0978 0.1671 0.1061 0.1181 0.0996 0.0793 0.1556 0.0781 0.0605 0.1023 0.0747 0.0627 0.0377 0.1085 0.0481 0.1041 0.0603 0.0893 0.1139 0.0568 0.0459 0.1115 0.1154 0.1394 0.1367 0.1302 0.1222 0.0739 0.0250 0.1587 0.1355 0.1351 0.1124 0.1248 0.0601 0.0774 0.0893 0.0609 0.0512 0.1334 0.0297 0.0200 0.0596 0.0506 0.0808 0.0893 0.0630 0.0404 0.1559 0.0652 0.0937 0.0862 0.1014 0.0695 0.0772 0.1050 0.0328 0.0715 0.0010 0.0342 0.1188 0.1029 Lactate 0.1676 0.0825 0.2181 0.4309 0.2424 0.2006 0.2673 0.3033 0.2042 0.3404 0.5449 0.4490 0.3650 0.1275 0.2059 0.1676 0.4706 0.2307 0.2416 0.3756 0.2334 0.2410 0.1751 0.1486 0.5556 0.1617 0.1215 0.1722 0.2005 0.1193 0.0940 0.3000 0.1537 0.2572 0.2137 0.1505 0.2301 0.1118 0.1019 0.1952 0.2438 0.3516 0.5048 0.2873 0.4094 0.1516 0.0761 0.3349 0.2596 0.2938 0.2665 0.3102 0.2329 0.1830 0.5670 0.1855 0.1435 0.2738 0.1088 0.1258 0.1919 0.2082 0.1718 0.1754 0.3138 0.0881 0.3756 0.1522 0.1670 0.1781 0.1965 0.1675 0.1429 0.2010 0.0849 0.1580 0.0564 0.0599 0.2403 0.2036 3-Hydroxybutyrate 0.1151 0.0731 0.1478 0.1971 0.1272 0.1737 0.1707 0.2598 0.1621 0.2693 0.2524 0.3031 0.3050 0.1131 0.1689 0.1804 0.2205 0.2076 0.1812 0.2570 0.1871 0.1683 0.1637 0.1364 0.2519 0.1531 0.1084 0.1584 1.1498 0.1068 0.0887 0.1705 0.0942 0.2034 0.1097 0.1620 0.1975 0.1093 0.0950 0.1950 0.1897 0.2201 0.2107 0.2174 0.1781 0.1278 0.0657 0.2449 0.2651 0.2077 0.1979 0.2257 0.1578 0.1737 0.2079 0.1150 0.1153 0.2825 0.0708 0.0989 0.1520 0.0949 0.1542 0.1627 0.1394 0.0738 0.6842 0.1343 0.1826 0.1712 0.2024 0.1397 0.1483 0.1767 0.2164 0.1330 0.1169 0.0662 0.1844 0.2040 Propylene glycol 0.0765 0.0219 0.0711 0.1138 0.0856 0.1452 0.1139 0.1086 0.0489 0.1457 0.1459 0.1980 0.2115 0.0397 0.0592 0.1305 0.0818 0.1683 0.1317 0.1400 0.0774 0.0676 0.1003 0.0654 0.1600 0.1273 0.0496 0.0600 0.0865 0.0479 0.0417 0.1043 0.0525 0.1583 0.0784 0.1799 0.2411 0.0972 0.0980 0.1762 0.1202 0.1345 0.1082 0.0892 0.1098 0.1037 0.0519 0.1745 0.1832 0.1060 0.1008 0.1560 0.0762 0.0867 0.1317 0.0940 0.0996 0.2163 0.0635 0.0414 0.0827 0.0560 0.1342 0.0829 0.0973 0.0627 0.3904 0.1277 0.1369 0.0757 0.1014 0.1036 0.0899 0.0904 0.0377 0.1140 0.0101 0.0492 0.1132 0.1291 Isobutyrate 0.0261 0.0132 0.0347 0.0420 0.0305 0.0502 0.0415 0.0479 0.0256 0.0597 0.0530 0.0658 0.0699 0.0190 0.0353 0.0492 0.0447 0.0603 0.0450 0.0627 0.0431 0.0355 0.0486 0.0316 0.0608 0.0421 0.0233 0.0300 0.0467 0.0244 0.0178 0.0433 0.0227 0.0533 0.0253 0.0508 0.0690 0.0327 0.0275 0.0567 0.0456 0.0523 0.0459 0.0375 0.0366 0.0304 0.0188 0.0568 0.0629 0.0432 0.0404 0.0762 0.0356 0.0369 0.0466 0.0319 0.0327 0.0799 0.0203 0.0200 0.0338 0.0256 0.0477 0.0378 0.0363 0.0204 0.1398 0.0438 0.0475 0.0376 0.0441 0.0367 0.0374 0.0399 0.0139 0.0326 0.0195 0.0171 0.0489 0.0495 3-Hydroxyisobutyrate 0.0104 0.0064 0.0135 0.0219 0.0130 0.0182 0.0219 0.0226 0.0125 0.0301 0.0294 0.0323 0.0336 0.0114 0.0133 0.0165 0.0271 0.0257 0.0170 0.0299 0.0192 0.0159 0.0204 0.0143 0.0331 0.0173 0.0117 0.0138 0.0224 0.0114 0.0090 0.0243 0.0147 0.0162 0.0119 0.0226 0.0265 0.0155 0.0101 0.0250 0.0251 0.0249 0.0257 0.0208 0.0271 0.0137 0.0066 0.0268 0.0289 0.0221 0.0211 0.0255 0.0147 0.0154 0.0235 0.0125 0.0086 0.0302 0.0069 0.0057 0.0153 0.0087 0.0187 0.0174 0.0141 0.0075 0.0503 0.0135 0.0180 0.0138 0.0200 0.0142 0.0150 0.0177 0.0070 0.0113 0.0013 0.0064 0.0185 0.0246 Isoleucine 0.0466 0.0245 0.0560 0.0800 0.0500 0.0641 0.0816 0.1032 0.0501 0.1305 0.0925 0.1439 0.1440 0.0385 0.0702 0.0659 0.0785 0.1201 0.0717 0.1389 0.0701 0.0691 0.0759 0.0558 0.0998 0.0575 0.0440 0.0614 0.0434 0.0350 0.0355 0.0775 0.0419 0.0815 0.0415 0.0821 0.0974 0.0431 0.0443 0.1106 0.0929 0.0912 0.0937 0.0699 0.0680 0.0537 0.0181 0.1034 0.1107 0.0852 0.0754 0.1093 0.0378 0.0683 0.0644 0.0508 0.0403 0.1089 0.0279 0.0188 0.0584 0.0391 0.0667 0.0755 0.0404 0.0313 0.1723 0.0552 0.0716 0.0631 0.0767 0.0543 0.0678 0.0789 0.0248 0.0458 0.0163 0.0249 0.0848 0.0912 Leucine 0.0319 0.0305 0.0630 0.0539 0.0379 0.0507 0.0550 0.0991 0.0569 0.1088 0.0680 0.0923 0.0934 0.0472 0.0752 0.0548 0.0747 0.0738 0.0517 0.1094 0.0778 0.0710 0.0692 0.0588 0.0732 0.0489 0.0487 0.0568 0.0644 0.0393 0.0372 0.0742 0.0400 0.0619 0.0258 0.0485 0.0638 0.0300 0.0255 0.0804 0.0633 0.0837 0.0789 0.0555 0.0423 0.0323 0.0143 0.0606 0.0638 0.0647 0.0527 0.1023 0.0629 0.0434 0.0404 0.0299 0.0256 0.0625 0.0174 0.0230 0.0395 0.0472 0.0475 0.0584 0.0266 0.0189 0.1269 0.0307 0.0465 0.0723 0.0585 0.0413 0.0638 0.0607 0.0145 0.0331 0.0085 0.0158 0.0843 0.0659 2-oxo isocaproate 0.1583 0.1091 0.2262 0.2162 0.1997 0.2920 0.2370 0.2581 0.2002 0.3331 0.3083 0.3730 0.3676 0.1744 0.2184 0.2570 0.2854 0.2403 0.2730 0.3316 0.2666 0.2493 0.2120 0.2115 0.3016 0.1990 0.1715 0.1860 0.2285 0.1549 0.1189 0.2595 0.1424 0.2979 0.1263 0.2056 0.3198 0.1661 0.1377 0.2842 0.2738 0.3301 0.2788 0.2398 0.1724 0.1583 0.0922 0.2586 0.2648 0.2524 0.2506 0.2899 0.2463 0.1458 0.1821 0.1449 0.1346 0.2987 0.0854 0.1417 0.1951 0.1912 0.2133 0.2147 0.1197 0.0996 0.3935 0.1465 0.2411 0.2723 0.2611 0.2048 0.1432 0.2019 0.0438 0.1951 0.0931 0.0866 0.2697 0.2387 2-Hydroxybutyrate 0.2056 0.2015 0.3907 0.3424 0.2984 0.4094 0.3429 0.5351 0.3742 0.5656 0.3905 0.5806 0.5727 0.2516 0.3936 0.3967 0.4261 0.3558 0.3905 0.5402 0.4134 0.4122 0.3659 0.3009 0.4298 0.3389 0.2371 0.3284 0.5901 0.2642 0.1881 0.3707 0.2106 0.4349 0.2044 0.3417 0.4344 0.2623 0.2151 0.4138 0.4074 0.4496 0.3455 0.3588 0.2680 0.2171 0.1182 0.3857 0.4660 0.3707 0.3604 0.4525 0.3059 0.2184 0.2661 0.2195 0.1943 0.4541 0.1448 0.1999 0.2574 0.2749 0.3237 0.2777 0.2138 0.1374 0.9484 0.2418 0.3339 0.3750 0.3882 0.2552 0.2670 0.3012 0.1463 0.2910 0.2294 0.1201 0.3722 0.3615 2-Hydroxy-3-methylvalerate 0.1119 0.0962 0.1839 0.1741 0.1356 0.1501 0.1499 0.3149 0.1813 0.2812 0.2275 0.2657 0.2583 0.1457 0.2039 0.1750 0.2430 0.1905 0.1530 0.2680 0.2168 0.2049 0.2006 0.1636 0.2487 0.1643 0.1348 0.1757 0.2542 0.1113 0.1245 0.1991 0.1101 0.1992 0.0900 0.1392 0.1819 0.1045 0.0885 0.2066 0.1815 0.2140 0.2052 0.1692 0.1180 0.0885 0.0636 0.1878 0.2108 0.1729 0.1782 0.2696 0.2026 0.1213 0.1728 0.0941 0.0996 0.2115 0.0699 0.1059 0.1307 0.1661 0.1684 0.1683 0.2021 0.0619 0.3957 0.1221 0.1482 0.2304 0.1916 0.1412 0.1772 0.1744 0.1301 0.1234 0.0912 0.0539 0.2335 0.1960 NMR_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Formate 3-Indoxylsulfate Hippurate Phenylalanine Histidine Tyrosine 3-Hydroxyphenylacetate Cis-acotinate allantoin Glucose N-Acetylglucosamine Taurine Choline Dimethyl sulfone Creatinine Creatine N,N-Dimethyl glycine Citrate 2-Oxoglutarate Succinate N-Carbamoyl-ß-Alanine Acetate Alanine Lactate 3-Hydroxybutyrate Propylene glycol Isobutyrate 3-Hydroxyisobutyrate Isoleucine Leucine 2-oxo isocaproate 2-Hydroxybutyrate 2-Hydroxy-3-methylvalerate METABOLITES_END #END