#METABOLOMICS WORKBENCH alanyl_20250326_093944 DATATRACK_ID:5790 STUDY_ID:ST003838 ANALYSIS_ID:AN007510 PROJECT_ID:PR002390 VERSION 1 CREATED_ON December 17, 2025, 1:57 pm #PROJECT PR:PROJECT_TITLE In vivo CRISPR screen identifies copper metabolism as a vulnerability in acute PR:PROJECT_TITLE lymphoblastic leukemia PR:PROJECT_SUMMARY The nutrient-sparse cerebrospinal fluid (CSF) poses a significant challenge to PR:PROJECT_SUMMARY spreading cancer cells. Despite this challenge, leukemia often spreads to the PR:PROJECT_SUMMARY CSF and represents a significant clinical complication. To uncover nutritional PR:PROJECT_SUMMARY dependencies of leukemia cells in the CSF that could be targeted PR:PROJECT_SUMMARY therapeutically, we conducted an in vivo targeted CRISPR screen in a xenograft PR:PROJECT_SUMMARY model of leukemia. We found that SLC31A1, the primary cell surface copper PR:PROJECT_SUMMARY importer, is a genetic dependency of leukemia in both the central nervous system PR:PROJECT_SUMMARY as well as in the hematopoietic organs. Perturbation of copper metabolism leads PR:PROJECT_SUMMARY to complex IV deficiency, perturbed nucleotide metabolism and slowed leukemia PR:PROJECT_SUMMARY cell proliferation. Furthermore, nutritional copper depletion reduced cancer PR:PROJECT_SUMMARY progression in cell line based and patient-derived xenograft models of leukemia. PR:PROJECT_SUMMARY Copper thus appears to be an actionable micronutrient in leukemia. PR:INSTITUTE Boston Children's Hospital PR:DEPARTMENT Pathology PR:LABORATORY Naama Kanarek PR:LAST_NAME Wong PR:FIRST_NAME Alan PR:ADDRESS 300 Longwood Avenue, Boston, MA, 02115, USA PR:EMAIL alan.wong@childrens.harvard.edu PR:PHONE (617) 355-7433 PR:FUNDING_SOURCE NCI 1R01CA282477-01A1 #STUDY ST:STUDY_TITLE Polar metabolite profiling of human CSF from pediatric ALL patients ST:STUDY_SUMMARY To investigate the changes in CSF metabolites in human pediatric acute ST:STUDY_SUMMARY lymphoblastic leukemia (ALL) patients, human CSF from pediatric ALL patients was ST:STUDY_SUMMARY collected at 5 standardized time points as part of the DFCI 16-001 trial and ST:STUDY_SUMMARY subjected to non-polar and polar metabolomics. Targetted analysis of polar ST:STUDY_SUMMARY metabolites in these CSF samples revealed expected changes in asparagine, ST:STUDY_SUMMARY consistent with the effects of pegylated asparaginase treatment. Untargeted ST:STUDY_SUMMARY analysis using Compound Discoverer revealed changes in nucleotides and modified ST:STUDY_SUMMARY nucleotides between F0 and F1 timepoint. ST:INSTITUTE Boston Childrens Hospital ST:LAST_NAME Wong ST:FIRST_NAME Alan ST:ADDRESS 300 Longwood Avenue ST:EMAIL alan.wong@childrens.harvard.edu ST:PHONE (617) 355-7433 ST:NUM_GROUPS 4 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:GENDER Male and female #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - NK496 Sample source:Human CSF | Timepoint:F0 RAW_FILE_NAME()=20210630_QEF1_HILIC_PCole_CSF_subset_NK496.raw SUBJECT_SAMPLE_FACTORS - NK497 Sample source:Human CSF | Timepoint:F1 RAW_FILE_NAME()=20210630_QEF1_HILIC_PCole_CSF_subset_NK497.raw SUBJECT_SAMPLE_FACTORS - NK498 Sample source:Human CSF | Timepoint:F2 RAW_FILE_NAME()=20210630_QEF1_HILIC_PCole_CSF_subset_NK498.raw SUBJECT_SAMPLE_FACTORS - NK499 Sample source:Human CSF | Timepoint:F3 RAW_FILE_NAME()=20210630_QEF1_HILIC_PCole_CSF_subset_NK499.raw SUBJECT_SAMPLE_FACTORS - NK500 Sample source:Human CSF | Timepoint:F4 RAW_FILE_NAME()=20210630_QEF1_HILIC_PCole_CSF_subset_NK500.raw SUBJECT_SAMPLE_FACTORS - NK501 Sample source:Human CSF | Timepoint:F0 RAW_FILE_NAME()=20210630_QEF1_HILIC_PCole_CSF_subset_NK501.raw SUBJECT_SAMPLE_FACTORS - NK502 Sample source:Human CSF | Timepoint:F1 RAW_FILE_NAME()=20210630_QEF1_HILIC_PCole_CSF_subset_NK502.raw SUBJECT_SAMPLE_FACTORS - NK503 Sample source:Human CSF | Timepoint:F2 RAW_FILE_NAME()=20210630_QEF1_HILIC_PCole_CSF_subset_NK503.raw SUBJECT_SAMPLE_FACTORS - NK504 Sample source:Human CSF | Timepoint:F3 RAW_FILE_NAME()=20210630_QEF1_HILIC_PCole_CSF_subset_NK504.raw SUBJECT_SAMPLE_FACTORS - NK505 Sample source:Human CSF | Timepoint:F4 RAW_FILE_NAME()=20210630_QEF1_HILIC_PCole_CSF_subset_NK505.raw SUBJECT_SAMPLE_FACTORS - NK506 Sample source:Human CSF | Timepoint:F0 RAW_FILE_NAME()=20210630_QEF1_HILIC_PCole_CSF_subset_NK506.raw SUBJECT_SAMPLE_FACTORS - NK507 Sample source:Human CSF | Timepoint:F1 RAW_FILE_NAME()=20210630_QEF1_HILIC_PCole_CSF_subset_NK507.raw SUBJECT_SAMPLE_FACTORS - 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NK516 Sample source:Human CSF | Timepoint:F0 RAW_FILE_NAME()=20210630_QEF1_HILIC_PCole_CSF_subset_NK516.raw SUBJECT_SAMPLE_FACTORS - NK517 Sample source:Human CSF | Timepoint:F1 RAW_FILE_NAME()=20210630_QEF1_HILIC_PCole_CSF_subset_NK517.raw SUBJECT_SAMPLE_FACTORS - NK518 Sample source:Human CSF | Timepoint:F2 RAW_FILE_NAME()=20210630_QEF1_HILIC_PCole_CSF_subset_NK518.raw SUBJECT_SAMPLE_FACTORS - NK519 Sample source:Human CSF | Timepoint:F3 RAW_FILE_NAME()=20210630_QEF1_HILIC_PCole_CSF_subset_NK519.raw SUBJECT_SAMPLE_FACTORS - NK520 Sample source:Human CSF | Timepoint:F4 RAW_FILE_NAME()=20210630_QEF1_HILIC_PCole_CSF_subset_NK520.raw SUBJECT_SAMPLE_FACTORS - NK521 Sample source:Human CSF | Timepoint:F0 RAW_FILE_NAME()=20210630_QEF1_HILIC_PCole_CSF_subset_NK521.raw SUBJECT_SAMPLE_FACTORS - NK522 Sample source:Human CSF | Timepoint:F1 RAW_FILE_NAME()=20210630_QEF1_HILIC_PCole_CSF_subset_NK522.raw SUBJECT_SAMPLE_FACTORS - NK523 Sample source:Human CSF | Timepoint:F2 RAW_FILE_NAME()=20210630_QEF1_HILIC_PCole_CSF_subset_NK523.raw SUBJECT_SAMPLE_FACTORS - NK524 Sample source:Human CSF | Timepoint:F3 RAW_FILE_NAME()=20210630_QEF1_HILIC_PCole_CSF_subset_NK524.raw SUBJECT_SAMPLE_FACTORS - NK525 Sample source:Human CSF | Timepoint:F4 RAW_FILE_NAME()=20210630_QEF1_HILIC_PCole_CSF_subset_NK525.raw SUBJECT_SAMPLE_FACTORS - NK531 Sample source:Human CSF | Timepoint:F0 RAW_FILE_NAME()=20210630_QEF1_HILIC_PCole_CSF_subset_NK531.raw SUBJECT_SAMPLE_FACTORS - NK532 Sample source:Human CSF | Timepoint:F1 RAW_FILE_NAME()=20210630_QEF1_HILIC_PCole_CSF_subset_NK532.raw SUBJECT_SAMPLE_FACTORS - NK533 Sample source:Human CSF | Timepoint:F2 RAW_FILE_NAME()=20210630_QEF1_HILIC_PCole_CSF_subset_NK533.raw SUBJECT_SAMPLE_FACTORS - NK534 Sample source:Human CSF | Timepoint:F3 RAW_FILE_NAME()=20210630_QEF1_HILIC_PCole_CSF_subset_NK534.raw SUBJECT_SAMPLE_FACTORS - NK535 Sample source:Human CSF | Timepoint:F4 RAW_FILE_NAME()=20210630_QEF1_HILIC_PCole_CSF_subset_NK535.raw SUBJECT_SAMPLE_FACTORS - NK536 Sample source:Human CSF | Timepoint:F0 RAW_FILE_NAME()=20210630_QEF1_HILIC_PCole_CSF_subset_NK536.raw SUBJECT_SAMPLE_FACTORS - NK537 Sample source:Human CSF | Timepoint:F1 RAW_FILE_NAME()=20210630_QEF1_HILIC_PCole_CSF_subset_NK537.raw SUBJECT_SAMPLE_FACTORS - NK538 Sample source:Human CSF | Timepoint:F2 RAW_FILE_NAME()=20210630_QEF1_HILIC_PCole_CSF_subset_NK538.raw SUBJECT_SAMPLE_FACTORS - NK539 Sample source:Human CSF | Timepoint:F3 RAW_FILE_NAME()=20210630_QEF1_HILIC_PCole_CSF_subset_NK539.raw SUBJECT_SAMPLE_FACTORS - NK540 Sample source:Human CSF | Timepoint:F4 RAW_FILE_NAME()=20210630_QEF1_HILIC_PCole_CSF_subset_NK540.raw SUBJECT_SAMPLE_FACTORS - NK541 Sample source:Human CSF | Timepoint:F0 RAW_FILE_NAME()=20210630_QEF1_HILIC_PCole_CSF_subset_NK541.raw SUBJECT_SAMPLE_FACTORS - NK542 Sample source:Human CSF | Timepoint:F1 RAW_FILE_NAME()=20210630_QEF1_HILIC_PCole_CSF_subset_NK542.raw SUBJECT_SAMPLE_FACTORS - NK543 Sample source:Human CSF | Timepoint:F2 RAW_FILE_NAME()=20210630_QEF1_HILIC_PCole_CSF_subset_NK543.raw SUBJECT_SAMPLE_FACTORS - NK544 Sample source:Human CSF | Timepoint:F3 RAW_FILE_NAME()=20210630_QEF1_HILIC_PCole_CSF_subset_NK544.raw SUBJECT_SAMPLE_FACTORS - NK545 Sample source:Human CSF | Timepoint:F4 RAW_FILE_NAME()=20210630_QEF1_HILIC_PCole_CSF_subset_NK545.raw SUBJECT_SAMPLE_FACTORS - NK546 Sample source:Human CSF | Timepoint:F0 RAW_FILE_NAME()=20210630_QEF1_HILIC_PCole_CSF_subset_NK546.raw SUBJECT_SAMPLE_FACTORS - NK547 Sample source:Human CSF | Timepoint:F1 RAW_FILE_NAME()=20210630_QEF1_HILIC_PCole_CSF_subset_NK547.raw SUBJECT_SAMPLE_FACTORS - NK548 Sample source:Human CSF | Timepoint:F2 RAW_FILE_NAME()=20210630_QEF1_HILIC_PCole_CSF_subset_NK548.raw SUBJECT_SAMPLE_FACTORS - NK549 Sample source:Human CSF | Timepoint:F3 RAW_FILE_NAME()=20210630_QEF1_HILIC_PCole_CSF_subset_NK549.raw SUBJECT_SAMPLE_FACTORS - NK550 Sample source:Human CSF | Timepoint:F4 RAW_FILE_NAME()=20210630_QEF1_HILIC_PCole_CSF_subset_NK550.raw SUBJECT_SAMPLE_FACTORS - NK551 Sample source:Human CSF | Timepoint:F0 RAW_FILE_NAME()=20210630_QEF1_HILIC_PCole_CSF_subset_NK551.raw SUBJECT_SAMPLE_FACTORS - NK552 Sample source:Human CSF | Timepoint:F1 RAW_FILE_NAME()=20210630_QEF1_HILIC_PCole_CSF_subset_NK552.raw SUBJECT_SAMPLE_FACTORS - NK553 Sample source:Human CSF | Timepoint:F2 RAW_FILE_NAME()=20210630_QEF1_HILIC_PCole_CSF_subset_NK553.raw SUBJECT_SAMPLE_FACTORS - NK554 Sample source:Human CSF | Timepoint:F3 RAW_FILE_NAME()=20210630_QEF1_HILIC_PCole_CSF_subset_NK554.raw SUBJECT_SAMPLE_FACTORS - NK555 Sample source:Human CSF | Timepoint:F4 RAW_FILE_NAME()=20210630_QEF1_HILIC_PCole_CSF_subset_NK555.raw SUBJECT_SAMPLE_FACTORS - NK556 Sample source:Human CSF | Timepoint:F0 RAW_FILE_NAME()=20210630_QEF1_HILIC_PCole_CSF_subset_NK556.raw SUBJECT_SAMPLE_FACTORS - NK557 Sample source:Human CSF | Timepoint:F1 RAW_FILE_NAME()=20210630_QEF1_HILIC_PCole_CSF_subset_NK557.raw SUBJECT_SAMPLE_FACTORS - NK558 Sample source:Human CSF | Timepoint:F2 RAW_FILE_NAME()=20210630_QEF1_HILIC_PCole_CSF_subset_NK558.raw SUBJECT_SAMPLE_FACTORS - NK559 Sample source:Human CSF | Timepoint:F3 RAW_FILE_NAME()=20210630_QEF1_HILIC_PCole_CSF_subset_NK559.raw SUBJECT_SAMPLE_FACTORS - NK560 Sample source:Human CSF | Timepoint:F4 RAW_FILE_NAME()=20210630_QEF1_HILIC_PCole_CSF_subset_NK560.raw SUBJECT_SAMPLE_FACTORS - NK561 Sample source:Human CSF | Timepoint:F0 RAW_FILE_NAME()=20210630_QEF1_HILIC_PCole_CSF_subset_NK561.raw SUBJECT_SAMPLE_FACTORS - NK562 Sample source:Human CSF | Timepoint:F1 RAW_FILE_NAME()=20210630_QEF1_HILIC_PCole_CSF_subset_NK562.raw SUBJECT_SAMPLE_FACTORS - NK563 Sample source:Human CSF | Timepoint:F2 RAW_FILE_NAME()=20210630_QEF1_HILIC_PCole_CSF_subset_NK563.raw SUBJECT_SAMPLE_FACTORS - NK564 Sample source:Human CSF | Timepoint:F3 RAW_FILE_NAME()=20210630_QEF1_HILIC_PCole_CSF_subset_NK564.raw SUBJECT_SAMPLE_FACTORS - NK565 Sample source:Human CSF | Timepoint:F4 RAW_FILE_NAME()=20210630_QEF1_HILIC_PCole_CSF_subset_NK565.raw SUBJECT_SAMPLE_FACTORS - NK566 Sample source:Human CSF | Timepoint:F0 RAW_FILE_NAME()=20210630_QEF1_HILIC_PCole_CSF_subset_NK566.raw SUBJECT_SAMPLE_FACTORS - NK567 Sample source:Human CSF | Timepoint:F1 RAW_FILE_NAME()=20210630_QEF1_HILIC_PCole_CSF_subset_NK567.raw SUBJECT_SAMPLE_FACTORS - NK568 Sample source:Human CSF | Timepoint:F2 RAW_FILE_NAME()=20210630_QEF1_HILIC_PCole_CSF_subset_NK568.raw SUBJECT_SAMPLE_FACTORS - NK569 Sample source:Human CSF | Timepoint:F3 RAW_FILE_NAME()=20210630_QEF1_HILIC_PCole_CSF_subset_NK569.raw SUBJECT_SAMPLE_FACTORS - NK570 Sample source:Human CSF | Timepoint:F4 RAW_FILE_NAME()=20210630_QEF1_HILIC_PCole_CSF_subset_NK570.raw SUBJECT_SAMPLE_FACTORS - NK571 Sample source:Human CSF | Timepoint:F0 RAW_FILE_NAME()=20210630_QEF1_HILIC_PCole_CSF_subset_NK571.raw SUBJECT_SAMPLE_FACTORS - NK572 Sample source:Human CSF | Timepoint:F1 RAW_FILE_NAME()=20210630_QEF1_HILIC_PCole_CSF_subset_NK572.raw SUBJECT_SAMPLE_FACTORS - NK573 Sample source:Human CSF | Timepoint:F2 RAW_FILE_NAME()=20210630_QEF1_HILIC_PCole_CSF_subset_NK573.raw SUBJECT_SAMPLE_FACTORS - NK574 Sample source:Human CSF | Timepoint:F3 RAW_FILE_NAME()=20210630_QEF1_HILIC_PCole_CSF_subset_NK574.raw SUBJECT_SAMPLE_FACTORS - NK575 Sample source:Human CSF | Timepoint:F4 RAW_FILE_NAME()=20210630_QEF1_HILIC_PCole_CSF_subset_NK575.raw SUBJECT_SAMPLE_FACTORS - AYW170 Sample source:Human CSF | Timepoint:F0 RAW_FILE_NAME()=20210925_QEF1_HILIC_PCole_CSF_Batch2_AYW170.raw SUBJECT_SAMPLE_FACTORS - AYW171 Sample source:Human CSF | Timepoint:F1 RAW_FILE_NAME()=20210925_QEF1_HILIC_PCole_CSF_Batch2_AYW171.raw SUBJECT_SAMPLE_FACTORS - AYW172 Sample source:Human CSF | Timepoint:F2 RAW_FILE_NAME()=20210925_QEF1_HILIC_PCole_CSF_Batch2_AYW172.raw SUBJECT_SAMPLE_FACTORS - AYW173 Sample source:Human CSF | Timepoint:F3 RAW_FILE_NAME()=20210925_QEF1_HILIC_PCole_CSF_Batch2_AYW173.raw SUBJECT_SAMPLE_FACTORS - AYW174 Sample source:Human CSF | Timepoint:F4 RAW_FILE_NAME()=20210925_QEF1_HILIC_PCole_CSF_Batch2_AYW174.raw SUBJECT_SAMPLE_FACTORS - AYW175 Sample source:Human CSF | Timepoint:F0 RAW_FILE_NAME()=20210925_QEF1_HILIC_PCole_CSF_Batch2_AYW175.raw SUBJECT_SAMPLE_FACTORS - AYW176 Sample source:Human CSF | Timepoint:F1 RAW_FILE_NAME()=20210925_QEF1_HILIC_PCole_CSF_Batch2_AYW176.raw SUBJECT_SAMPLE_FACTORS - AYW177 Sample source:Human CSF | Timepoint:F2 RAW_FILE_NAME()=20210925_QEF1_HILIC_PCole_CSF_Batch2_AYW177.raw SUBJECT_SAMPLE_FACTORS - AYW178 Sample source:Human CSF | Timepoint:F3 RAW_FILE_NAME()=20210925_QEF1_HILIC_PCole_CSF_Batch2_AYW178.raw SUBJECT_SAMPLE_FACTORS - 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AYW200 Sample source:Human CSF | Timepoint:F0 RAW_FILE_NAME()=20210925_QEF1_HILIC_PCole_CSF_Batch2_AYW200.raw SUBJECT_SAMPLE_FACTORS - AYW201 Sample source:Human CSF | Timepoint:F1 RAW_FILE_NAME()=20210925_QEF1_HILIC_PCole_CSF_Batch2_AYW201.raw SUBJECT_SAMPLE_FACTORS - AYW202 Sample source:Human CSF | Timepoint:F2 RAW_FILE_NAME()=20210925_QEF1_HILIC_PCole_CSF_Batch2_AYW202.raw SUBJECT_SAMPLE_FACTORS - AYW203 Sample source:Human CSF | Timepoint:F3 RAW_FILE_NAME()=20210925_QEF1_HILIC_PCole_CSF_Batch2_AYW203.raw SUBJECT_SAMPLE_FACTORS - AYW204 Sample source:Human CSF | Timepoint:F4 RAW_FILE_NAME()=20210925_QEF1_HILIC_PCole_CSF_Batch2_AYW204.raw SUBJECT_SAMPLE_FACTORS - AYW205 Sample source:Human CSF | Timepoint:F0 RAW_FILE_NAME()=20210925_QEF1_HILIC_PCole_CSF_Batch2_AYW205.raw SUBJECT_SAMPLE_FACTORS - AYW206 Sample source:Human CSF | Timepoint:F1 RAW_FILE_NAME()=20210925_QEF1_HILIC_PCole_CSF_Batch2_AYW206.raw SUBJECT_SAMPLE_FACTORS - AYW207 Sample source:Human CSF | Timepoint:F2 RAW_FILE_NAME()=20210925_QEF1_HILIC_PCole_CSF_Batch2_AYW207.raw SUBJECT_SAMPLE_FACTORS - AYW208 Sample source:Human CSF | Timepoint:F3 RAW_FILE_NAME()=20210925_QEF1_HILIC_PCole_CSF_Batch2_AYW208.raw SUBJECT_SAMPLE_FACTORS - AYW209 Sample source:Human CSF | Timepoint:F4 RAW_FILE_NAME()=20210925_QEF1_HILIC_PCole_CSF_Batch2_AYW209.raw SUBJECT_SAMPLE_FACTORS - AYW210 Sample source:Human CSF | Timepoint:F0 RAW_FILE_NAME()=20210925_QEF1_HILIC_PCole_CSF_Batch2_AYW210.raw SUBJECT_SAMPLE_FACTORS - AYW211 Sample source:Human CSF | Timepoint:F1 RAW_FILE_NAME()=20210925_QEF1_HILIC_PCole_CSF_Batch2_AYW211.raw SUBJECT_SAMPLE_FACTORS - AYW212 Sample source:Human CSF | Timepoint:F2 RAW_FILE_NAME()=20210925_QEF1_HILIC_PCole_CSF_Batch2_AYW212.raw SUBJECT_SAMPLE_FACTORS - AYW213 Sample source:Human CSF | Timepoint:F3 RAW_FILE_NAME()=20210925_QEF1_HILIC_PCole_CSF_Batch2_AYW213.raw SUBJECT_SAMPLE_FACTORS - AYW214 Sample source:Human CSF | Timepoint:F4 RAW_FILE_NAME()=20210925_QEF1_HILIC_PCole_CSF_Batch2_AYW214.raw SUBJECT_SAMPLE_FACTORS - AYW215 Sample source:Human CSF | Timepoint:F0 RAW_FILE_NAME()=20210925_QEF1_HILIC_PCole_CSF_Batch2_AYW215.raw SUBJECT_SAMPLE_FACTORS - AYW216 Sample source:Human CSF | Timepoint:F1 RAW_FILE_NAME()=20210925_QEF1_HILIC_PCole_CSF_Batch2_AYW216.raw SUBJECT_SAMPLE_FACTORS - AYW217 Sample source:Human CSF | Timepoint:F2 RAW_FILE_NAME()=20210925_QEF1_HILIC_PCole_CSF_Batch2_AYW217.raw SUBJECT_SAMPLE_FACTORS - AYW218 Sample source:Human CSF | Timepoint:F3 RAW_FILE_NAME()=20210925_QEF1_HILIC_PCole_CSF_Batch2_AYW218.raw SUBJECT_SAMPLE_FACTORS - AYW219 Sample source:Human CSF | Timepoint:F4 RAW_FILE_NAME()=20210925_QEF1_HILIC_PCole_CSF_Batch2_AYW219.raw SUBJECT_SAMPLE_FACTORS - AYW220 Sample source:Human CSF | Timepoint:F0 RAW_FILE_NAME()=20210925_QEF1_HILIC_PCole_CSF_Batch2_AYW220.raw SUBJECT_SAMPLE_FACTORS - AYW221 Sample source:Human CSF | Timepoint:F1 RAW_FILE_NAME()=20210925_QEF1_HILIC_PCole_CSF_Batch2_AYW221.raw SUBJECT_SAMPLE_FACTORS - AYW222 Sample source:Human CSF | Timepoint:F2 RAW_FILE_NAME()=20210925_QEF1_HILIC_PCole_CSF_Batch2_AYW222.raw SUBJECT_SAMPLE_FACTORS - AYW223 Sample source:Human CSF | Timepoint:F3 RAW_FILE_NAME()=20210925_QEF1_HILIC_PCole_CSF_Batch2_AYW223.raw SUBJECT_SAMPLE_FACTORS - AYW224 Sample source:Human CSF | Timepoint:F4 RAW_FILE_NAME()=20210925_QEF1_HILIC_PCole_CSF_Batch2_AYW224.raw SUBJECT_SAMPLE_FACTORS - AYW225 Sample source:Human CSF | Timepoint:F0 RAW_FILE_NAME()=20210925_QEF1_HILIC_PCole_CSF_Batch2_AYW225.raw SUBJECT_SAMPLE_FACTORS - AYW226 Sample source:Human CSF | Timepoint:F1 RAW_FILE_NAME()=20210925_QEF1_HILIC_PCole_CSF_Batch2_AYW226.raw SUBJECT_SAMPLE_FACTORS - AYW227 Sample source:Human CSF | Timepoint:F2 RAW_FILE_NAME()=20210925_QEF1_HILIC_PCole_CSF_Batch2_AYW227.raw SUBJECT_SAMPLE_FACTORS - AYW228 Sample source:Human CSF | Timepoint:F3 RAW_FILE_NAME()=20210925_QEF1_HILIC_PCole_CSF_Batch2_AYW228.raw SUBJECT_SAMPLE_FACTORS - AYW229 Sample source:Human CSF | Timepoint:F4 RAW_FILE_NAME()=20210925_QEF1_HILIC_PCole_CSF_Batch2_AYW229.raw SUBJECT_SAMPLE_FACTORS - AYW234 Sample source:Human CSF | Timepoint:F0 RAW_FILE_NAME()=20211006_HILIC_polars_PCole_CSF_Batch3_AYW234.raw SUBJECT_SAMPLE_FACTORS - AYW235 Sample source:Human CSF | Timepoint:F1 RAW_FILE_NAME()=20211006_HILIC_polars_PCole_CSF_Batch3_AYW235.raw SUBJECT_SAMPLE_FACTORS - AYW236 Sample source:Human CSF | Timepoint:F2 RAW_FILE_NAME()=20211006_HILIC_polars_PCole_CSF_Batch3_AYW236.raw SUBJECT_SAMPLE_FACTORS - AYW237 Sample source:Human CSF | Timepoint:F3 RAW_FILE_NAME()=20211006_HILIC_polars_PCole_CSF_Batch3_AYW237.raw SUBJECT_SAMPLE_FACTORS - AYW238 Sample source:Human CSF | Timepoint:F4 RAW_FILE_NAME()=20211006_HILIC_polars_PCole_CSF_Batch3_AYW238.raw SUBJECT_SAMPLE_FACTORS - AYW239 Sample source:Human CSF | Timepoint:F0 RAW_FILE_NAME()=20211006_HILIC_polars_PCole_CSF_Batch3_AYW239.raw SUBJECT_SAMPLE_FACTORS - AYW240 Sample source:Human CSF | Timepoint:F1 RAW_FILE_NAME()=20211006_HILIC_polars_PCole_CSF_Batch3_AYW240.raw SUBJECT_SAMPLE_FACTORS - AYW241 Sample source:Human CSF | Timepoint:F2 RAW_FILE_NAME()=20211006_HILIC_polars_PCole_CSF_Batch3_AYW241.raw SUBJECT_SAMPLE_FACTORS - AYW242 Sample source:Human CSF | Timepoint:F3 RAW_FILE_NAME()=20211006_HILIC_polars_PCole_CSF_Batch3_AYW242.raw SUBJECT_SAMPLE_FACTORS - AYW243 Sample source:Human CSF | Timepoint:F4 RAW_FILE_NAME()=20211006_HILIC_polars_PCole_CSF_Batch3_AYW243.raw SUBJECT_SAMPLE_FACTORS - AYW244 Sample source:Human CSF | Timepoint:F0 RAW_FILE_NAME()=20211006_HILIC_polars_PCole_CSF_Batch3_AYW244.raw SUBJECT_SAMPLE_FACTORS - AYW245 Sample source:Human CSF | Timepoint:F1 RAW_FILE_NAME()=20211006_HILIC_polars_PCole_CSF_Batch3_AYW245.raw SUBJECT_SAMPLE_FACTORS - AYW246 Sample source:Human CSF | Timepoint:F2 RAW_FILE_NAME()=20211006_HILIC_polars_PCole_CSF_Batch3_AYW246.raw SUBJECT_SAMPLE_FACTORS - AYW247 Sample source:Human CSF | Timepoint:F3 RAW_FILE_NAME()=20211006_HILIC_polars_PCole_CSF_Batch3_AYW247.raw SUBJECT_SAMPLE_FACTORS - AYW248 Sample source:Human CSF | Timepoint:F4 RAW_FILE_NAME()=20211006_HILIC_polars_PCole_CSF_Batch3_AYW248.raw SUBJECT_SAMPLE_FACTORS - AYW249 Sample source:Human CSF | Timepoint:F0 RAW_FILE_NAME()=20211006_HILIC_polars_PCole_CSF_Batch3_AYW249.raw SUBJECT_SAMPLE_FACTORS - AYW250 Sample source:Human CSF | Timepoint:F1 RAW_FILE_NAME()=20211006_HILIC_polars_PCole_CSF_Batch3_AYW250.raw SUBJECT_SAMPLE_FACTORS - AYW251 Sample source:Human CSF | Timepoint:F2 RAW_FILE_NAME()=20211006_HILIC_polars_PCole_CSF_Batch3_AYW251.raw SUBJECT_SAMPLE_FACTORS - AYW252 Sample source:Human CSF | Timepoint:F3 RAW_FILE_NAME()=20211006_HILIC_polars_PCole_CSF_Batch3_AYW252.raw SUBJECT_SAMPLE_FACTORS - AYW253 Sample source:Human CSF | Timepoint:F4 RAW_FILE_NAME()=20211006_HILIC_polars_PCole_CSF_Batch3_AYW253.raw SUBJECT_SAMPLE_FACTORS - AYW254 Sample source:Human CSF | Timepoint:F0 RAW_FILE_NAME()=20211006_HILIC_polars_PCole_CSF_Batch3_AYW254.raw SUBJECT_SAMPLE_FACTORS - AYW255 Sample source:Human CSF | Timepoint:F1 RAW_FILE_NAME()=20211006_HILIC_polars_PCole_CSF_Batch3_AYW255.raw SUBJECT_SAMPLE_FACTORS - AYW256 Sample source:Human CSF | Timepoint:F2 RAW_FILE_NAME()=20211006_HILIC_polars_PCole_CSF_Batch3_AYW256.raw SUBJECT_SAMPLE_FACTORS - AYW257 Sample source:Human CSF | Timepoint:F3 RAW_FILE_NAME()=20211006_HILIC_polars_PCole_CSF_Batch3_AYW257.raw SUBJECT_SAMPLE_FACTORS - AYW258 Sample source:Human CSF | Timepoint:F4 RAW_FILE_NAME()=20211006_HILIC_polars_PCole_CSF_Batch3_AYW258.raw SUBJECT_SAMPLE_FACTORS - AYW259 Sample source:Human CSF | Timepoint:F0 RAW_FILE_NAME()=20211006_HILIC_polars_PCole_CSF_Batch3_AYW259.raw SUBJECT_SAMPLE_FACTORS - AYW260 Sample source:Human CSF | Timepoint:F1 RAW_FILE_NAME()=20211006_HILIC_polars_PCole_CSF_Batch3_AYW260.raw SUBJECT_SAMPLE_FACTORS - AYW261 Sample source:Human CSF | Timepoint:F2 RAW_FILE_NAME()=20211006_HILIC_polars_PCole_CSF_Batch3_AYW261.raw SUBJECT_SAMPLE_FACTORS - AYW262 Sample source:Human CSF | Timepoint:F3 RAW_FILE_NAME()=20211006_HILIC_polars_PCole_CSF_Batch3_AYW262.raw SUBJECT_SAMPLE_FACTORS - AYW263 Sample source:Human CSF | Timepoint:F4 RAW_FILE_NAME()=20211006_HILIC_polars_PCole_CSF_Batch3_AYW263.raw SUBJECT_SAMPLE_FACTORS - AYW264 Sample source:Human CSF | Timepoint:F0 RAW_FILE_NAME()=20211006_HILIC_polars_PCole_CSF_Batch3_AYW264.raw SUBJECT_SAMPLE_FACTORS - AYW265 Sample source:Human CSF | Timepoint:F1 RAW_FILE_NAME()=20211006_HILIC_polars_PCole_CSF_Batch3_AYW265.raw SUBJECT_SAMPLE_FACTORS - AYW266 Sample source:Human CSF | Timepoint:F2 RAW_FILE_NAME()=20211006_HILIC_polars_PCole_CSF_Batch3_AYW266.raw SUBJECT_SAMPLE_FACTORS - AYW267 Sample source:Human CSF | Timepoint:F3 RAW_FILE_NAME()=20211006_HILIC_polars_PCole_CSF_Batch3_AYW267.raw SUBJECT_SAMPLE_FACTORS - AYW268 Sample source:Human CSF | Timepoint:F4 RAW_FILE_NAME()=20211006_HILIC_polars_PCole_CSF_Batch3_AYW268.raw SUBJECT_SAMPLE_FACTORS - AYW269 Sample source:Human CSF | Timepoint:F0 RAW_FILE_NAME()=20211006_HILIC_polars_PCole_CSF_Batch3_AYW269.raw SUBJECT_SAMPLE_FACTORS - AYW270 Sample source:Human CSF | Timepoint:F1 RAW_FILE_NAME()=20211006_HILIC_polars_PCole_CSF_Batch3_AYW270.raw SUBJECT_SAMPLE_FACTORS - AYW271 Sample source:Human CSF | Timepoint:F2 RAW_FILE_NAME()=20211006_HILIC_polars_PCole_CSF_Batch3_AYW271.raw SUBJECT_SAMPLE_FACTORS - AYW272 Sample source:Human CSF | Timepoint:F3 RAW_FILE_NAME()=20211006_HILIC_polars_PCole_CSF_Batch3_AYW272.raw SUBJECT_SAMPLE_FACTORS - AYW273 Sample source:Human CSF | Timepoint:F4 RAW_FILE_NAME()=20211006_HILIC_polars_PCole_CSF_Batch3_AYW273.raw SUBJECT_SAMPLE_FACTORS - AYW274 Sample source:Human CSF | Timepoint:F0 RAW_FILE_NAME()=20211006_HILIC_polars_PCole_CSF_Batch3_AYW274.raw SUBJECT_SAMPLE_FACTORS - AYW275 Sample source:Human CSF | Timepoint:F1 RAW_FILE_NAME()=20211006_HILIC_polars_PCole_CSF_Batch3_AYW275.raw SUBJECT_SAMPLE_FACTORS - AYW276 Sample source:Human CSF | Timepoint:F2 RAW_FILE_NAME()=20211006_HILIC_polars_PCole_CSF_Batch3_AYW276.raw SUBJECT_SAMPLE_FACTORS - AYW277 Sample source:Human CSF | Timepoint:F3 RAW_FILE_NAME()=20211006_HILIC_polars_PCole_CSF_Batch3_AYW277.raw SUBJECT_SAMPLE_FACTORS - AYW278 Sample source:Human CSF | Timepoint:F4 RAW_FILE_NAME()=20211006_HILIC_polars_PCole_CSF_Batch3_AYW278.raw SUBJECT_SAMPLE_FACTORS - AYW279 Sample source:Human CSF | Timepoint:F0 RAW_FILE_NAME()=20211006_HILIC_polars_PCole_CSF_Batch3_AYW279.raw SUBJECT_SAMPLE_FACTORS - AYW280 Sample source:Human CSF | Timepoint:F1 RAW_FILE_NAME()=20211006_HILIC_polars_PCole_CSF_Batch3_AYW280.raw SUBJECT_SAMPLE_FACTORS - AYW281 Sample source:Human CSF | Timepoint:F2 RAW_FILE_NAME()=20211006_HILIC_polars_PCole_CSF_Batch3_AYW281.raw SUBJECT_SAMPLE_FACTORS - AYW282 Sample source:Human CSF | Timepoint:F3 RAW_FILE_NAME()=20211006_HILIC_polars_PCole_CSF_Batch3_AYW282.raw SUBJECT_SAMPLE_FACTORS - AYW283 Sample source:Human CSF | Timepoint:F4 RAW_FILE_NAME()=20211006_HILIC_polars_PCole_CSF_Batch3_AYW283.raw SUBJECT_SAMPLE_FACTORS - AYW284 Sample source:Human CSF | Timepoint:F0 RAW_FILE_NAME()=20211006_HILIC_polars_PCole_CSF_Batch3_AYW284.raw SUBJECT_SAMPLE_FACTORS - AYW285 Sample source:Human CSF | Timepoint:F1 RAW_FILE_NAME()=20211006_HILIC_polars_PCole_CSF_Batch3_AYW285.raw SUBJECT_SAMPLE_FACTORS - AYW286 Sample source:Human CSF | Timepoint:F2 RAW_FILE_NAME()=20211006_HILIC_polars_PCole_CSF_Batch3_AYW286.raw SUBJECT_SAMPLE_FACTORS - AYW287 Sample source:Human CSF | Timepoint:F3 RAW_FILE_NAME()=20211006_HILIC_polars_PCole_CSF_Batch3_AYW287.raw SUBJECT_SAMPLE_FACTORS - AYW288 Sample source:Human CSF | Timepoint:F4 RAW_FILE_NAME()=20211006_HILIC_polars_PCole_CSF_Batch3_AYW288.raw SUBJECT_SAMPLE_FACTORS - AYW289 Sample source:Human CSF | Timepoint:F0 RAW_FILE_NAME()=20211006_HILIC_polars_PCole_CSF_Batch3_AYW289.raw SUBJECT_SAMPLE_FACTORS - AYW290 Sample source:Human CSF | Timepoint:F1 RAW_FILE_NAME()=20211006_HILIC_polars_PCole_CSF_Batch3_AYW290.raw SUBJECT_SAMPLE_FACTORS - AYW291 Sample source:Human CSF | Timepoint:F2 RAW_FILE_NAME()=20211006_HILIC_polars_PCole_CSF_Batch3_AYW291.raw SUBJECT_SAMPLE_FACTORS - AYW292 Sample source:Human CSF | Timepoint:F3 RAW_FILE_NAME()=20211006_HILIC_polars_PCole_CSF_Batch3_AYW292.raw SUBJECT_SAMPLE_FACTORS - AYW293 Sample source:Human CSF | Timepoint:F4 RAW_FILE_NAME()=20211006_HILIC_polars_PCole_CSF_Batch3_AYW293.raw SUBJECT_SAMPLE_FACTORS - AYW298 Sample source:Human CSF | Timepoint:F0 RAW_FILE_NAME()=20211203_QEF1_HILIC_PCole_hCSF_Batch4_AYW298.raw SUBJECT_SAMPLE_FACTORS - AYW299 Sample source:Human CSF | Timepoint:F1 RAW_FILE_NAME()=20211203_QEF1_HILIC_PCole_hCSF_Batch4_AYW299.raw SUBJECT_SAMPLE_FACTORS - AYW300 Sample source:Human CSF | Timepoint:F2 RAW_FILE_NAME()=20211203_QEF1_HILIC_PCole_hCSF_Batch4_AYW300.raw SUBJECT_SAMPLE_FACTORS - AYW301 Sample source:Human CSF | Timepoint:F3 RAW_FILE_NAME()=20211203_QEF1_HILIC_PCole_hCSF_Batch4_AYW301.raw SUBJECT_SAMPLE_FACTORS - AYW302 Sample source:Human CSF | Timepoint:F4 RAW_FILE_NAME()=20211203_QEF1_HILIC_PCole_hCSF_Batch4_AYW302.raw SUBJECT_SAMPLE_FACTORS - AYW303 Sample source:Human CSF | Timepoint:F0 RAW_FILE_NAME()=20211203_QEF1_HILIC_PCole_hCSF_Batch4_AYW303.raw SUBJECT_SAMPLE_FACTORS - AYW304 Sample source:Human CSF | Timepoint:F1 RAW_FILE_NAME()=20211203_QEF1_HILIC_PCole_hCSF_Batch4_AYW304.raw SUBJECT_SAMPLE_FACTORS - AYW305 Sample source:Human CSF | Timepoint:F2 RAW_FILE_NAME()=20211203_QEF1_HILIC_PCole_hCSF_Batch4_AYW305.raw SUBJECT_SAMPLE_FACTORS - AYW306 Sample source:Human CSF | Timepoint:F3 RAW_FILE_NAME()=20211203_QEF1_HILIC_PCole_hCSF_Batch4_AYW306.raw SUBJECT_SAMPLE_FACTORS - AYW307 Sample source:Human CSF | Timepoint:F4 RAW_FILE_NAME()=20211203_QEF1_HILIC_PCole_hCSF_Batch4_AYW307.raw SUBJECT_SAMPLE_FACTORS - AYW308 Sample source:Human CSF | Timepoint:F0 RAW_FILE_NAME()=20211203_QEF1_HILIC_PCole_hCSF_Batch4_AYW308.raw SUBJECT_SAMPLE_FACTORS - AYW309 Sample source:Human CSF | Timepoint:F1 RAW_FILE_NAME()=20211203_QEF1_HILIC_PCole_hCSF_Batch4_AYW309.raw SUBJECT_SAMPLE_FACTORS - AYW310 Sample source:Human CSF | Timepoint:F2 RAW_FILE_NAME()=20211203_QEF1_HILIC_PCole_hCSF_Batch4_AYW310.raw SUBJECT_SAMPLE_FACTORS - AYW311 Sample source:Human CSF | Timepoint:F3 RAW_FILE_NAME()=20211203_QEF1_HILIC_PCole_hCSF_Batch4_AYW311.raw SUBJECT_SAMPLE_FACTORS - AYW312 Sample source:Human CSF | Timepoint:F4 RAW_FILE_NAME()=20211203_QEF1_HILIC_PCole_hCSF_Batch4_AYW312.raw SUBJECT_SAMPLE_FACTORS - AYW313 Sample source:Human CSF | Timepoint:F0 RAW_FILE_NAME()=20211203_QEF1_HILIC_PCole_hCSF_Batch4_AYW313.raw SUBJECT_SAMPLE_FACTORS - AYW314 Sample source:Human CSF | Timepoint:F1 RAW_FILE_NAME()=20211203_QEF1_HILIC_PCole_hCSF_Batch4_AYW314.raw SUBJECT_SAMPLE_FACTORS - AYW315 Sample source:Human CSF | Timepoint:F2 RAW_FILE_NAME()=20211203_QEF1_HILIC_PCole_hCSF_Batch4_AYW315.raw SUBJECT_SAMPLE_FACTORS - AYW316 Sample source:Human CSF | Timepoint:F3 RAW_FILE_NAME()=20211203_QEF1_HILIC_PCole_hCSF_Batch4_AYW316.raw SUBJECT_SAMPLE_FACTORS - AYW317 Sample source:Human CSF | Timepoint:F4 RAW_FILE_NAME()=20211203_QEF1_HILIC_PCole_hCSF_Batch4_AYW317.raw SUBJECT_SAMPLE_FACTORS - AYW318 Sample source:Human CSF | Timepoint:F0 RAW_FILE_NAME()=20211203_QEF1_HILIC_PCole_hCSF_Batch4_AYW318.raw SUBJECT_SAMPLE_FACTORS - AYW319 Sample source:Human CSF | Timepoint:F1 RAW_FILE_NAME()=20211203_QEF1_HILIC_PCole_hCSF_Batch4_AYW319.raw SUBJECT_SAMPLE_FACTORS - AYW320 Sample source:Human CSF | Timepoint:F2 RAW_FILE_NAME()=20211203_QEF1_HILIC_PCole_hCSF_Batch4_AYW320.raw SUBJECT_SAMPLE_FACTORS - AYW321 Sample source:Human CSF | Timepoint:F3 RAW_FILE_NAME()=20211203_QEF1_HILIC_PCole_hCSF_Batch4_AYW321.raw SUBJECT_SAMPLE_FACTORS - AYW322 Sample source:Human CSF | Timepoint:F4 RAW_FILE_NAME()=20211203_QEF1_HILIC_PCole_hCSF_Batch4_AYW322.raw SUBJECT_SAMPLE_FACTORS - AYW323 Sample source:Human CSF | Timepoint:F0 RAW_FILE_NAME()=20211203_QEF1_HILIC_PCole_hCSF_Batch4_AYW323.raw SUBJECT_SAMPLE_FACTORS - AYW324 Sample source:Human CSF | Timepoint:F1 RAW_FILE_NAME()=20211203_QEF1_HILIC_PCole_hCSF_Batch4_AYW324.raw SUBJECT_SAMPLE_FACTORS - AYW325 Sample source:Human CSF | Timepoint:F2 RAW_FILE_NAME()=20211203_QEF1_HILIC_PCole_hCSF_Batch4_AYW325.raw SUBJECT_SAMPLE_FACTORS - AYW326 Sample source:Human CSF | Timepoint:F3 RAW_FILE_NAME()=20211203_QEF1_HILIC_PCole_hCSF_Batch4_AYW326.raw SUBJECT_SAMPLE_FACTORS - AYW327 Sample source:Human CSF | Timepoint:F4 RAW_FILE_NAME()=20211203_QEF1_HILIC_PCole_hCSF_Batch4_AYW327.raw SUBJECT_SAMPLE_FACTORS - AYW328 Sample source:Human CSF | Timepoint:F0 RAW_FILE_NAME()=20211203_QEF1_HILIC_PCole_hCSF_Batch4_AYW328.raw SUBJECT_SAMPLE_FACTORS - AYW329 Sample source:Human CSF | Timepoint:F1 RAW_FILE_NAME()=20211203_QEF1_HILIC_PCole_hCSF_Batch4_AYW329.raw SUBJECT_SAMPLE_FACTORS - AYW330 Sample source:Human CSF | Timepoint:F2 RAW_FILE_NAME()=20211203_QEF1_HILIC_PCole_hCSF_Batch4_AYW330.raw SUBJECT_SAMPLE_FACTORS - AYW331 Sample source:Human CSF | Timepoint:F3 RAW_FILE_NAME()=20211203_QEF1_HILIC_PCole_hCSF_Batch4_AYW331.raw SUBJECT_SAMPLE_FACTORS - AYW332 Sample source:Human CSF | Timepoint:F4 RAW_FILE_NAME()=20211203_QEF1_HILIC_PCole_hCSF_Batch4_AYW332.raw SUBJECT_SAMPLE_FACTORS - AYW333 Sample source:Human CSF | Timepoint:F0 RAW_FILE_NAME()=20211203_QEF1_HILIC_PCole_hCSF_Batch4_AYW333.raw SUBJECT_SAMPLE_FACTORS - AYW334 Sample source:Human CSF | Timepoint:F1 RAW_FILE_NAME()=20211203_QEF1_HILIC_PCole_hCSF_Batch4_AYW334.raw SUBJECT_SAMPLE_FACTORS - AYW335 Sample source:Human CSF | Timepoint:F2 RAW_FILE_NAME()=20211203_QEF1_HILIC_PCole_hCSF_Batch4_AYW335.raw SUBJECT_SAMPLE_FACTORS - AYW336 Sample source:Human CSF | Timepoint:F3 RAW_FILE_NAME()=20211203_QEF1_HILIC_PCole_hCSF_Batch4_AYW336.raw SUBJECT_SAMPLE_FACTORS - AYW337 Sample source:Human CSF | Timepoint:F4 RAW_FILE_NAME()=20211203_QEF1_HILIC_PCole_hCSF_Batch4_AYW337.raw SUBJECT_SAMPLE_FACTORS - AYW338 Sample source:Human CSF | Timepoint:F0 RAW_FILE_NAME()=20211203_QEF1_HILIC_PCole_hCSF_Batch4_AYW338.raw SUBJECT_SAMPLE_FACTORS - AYW339 Sample source:Human CSF | Timepoint:F1 RAW_FILE_NAME()=20211203_QEF1_HILIC_PCole_hCSF_Batch4_AYW339.raw SUBJECT_SAMPLE_FACTORS - AYW340 Sample source:Human CSF | Timepoint:F2 RAW_FILE_NAME()=20211203_QEF1_HILIC_PCole_hCSF_Batch4_AYW340.raw SUBJECT_SAMPLE_FACTORS - AYW341 Sample source:Human CSF | Timepoint:F3 RAW_FILE_NAME()=20211203_QEF1_HILIC_PCole_hCSF_Batch4_AYW341.raw SUBJECT_SAMPLE_FACTORS - AYW342 Sample source:Human CSF | Timepoint:F4 RAW_FILE_NAME()=20211203_QEF1_HILIC_PCole_hCSF_Batch4_AYW342.raw SUBJECT_SAMPLE_FACTORS - AYW347 Sample source:Human CSF | Timepoint:F0 RAW_FILE_NAME()=20211204_QEF1_HILIC_PCole_hCSF_Batch5_AYW347.raw SUBJECT_SAMPLE_FACTORS - AYW348 Sample source:Human CSF | Timepoint:F1 RAW_FILE_NAME()=20211204_QEF1_HILIC_PCole_hCSF_Batch5_AYW348.raw SUBJECT_SAMPLE_FACTORS - AYW349 Sample source:Human CSF | Timepoint:F2 RAW_FILE_NAME()=20211204_QEF1_HILIC_PCole_hCSF_Batch5_AYW349.raw SUBJECT_SAMPLE_FACTORS - AYW350 Sample source:Human CSF | Timepoint:F3 RAW_FILE_NAME()=20211204_QEF1_HILIC_PCole_hCSF_Batch5_AYW350.raw SUBJECT_SAMPLE_FACTORS - AYW351 Sample source:Human CSF | Timepoint:F4 RAW_FILE_NAME()=20211204_QEF1_HILIC_PCole_hCSF_Batch5_AYW351.raw SUBJECT_SAMPLE_FACTORS - AYW352 Sample source:Human CSF | Timepoint:F0 RAW_FILE_NAME()=20211204_QEF1_HILIC_PCole_hCSF_Batch5_AYW352.raw SUBJECT_SAMPLE_FACTORS - AYW353 Sample source:Human CSF | Timepoint:F1 RAW_FILE_NAME()=20211204_QEF1_HILIC_PCole_hCSF_Batch5_AYW353.raw SUBJECT_SAMPLE_FACTORS - AYW354 Sample source:Human CSF | Timepoint:F2 RAW_FILE_NAME()=20211204_QEF1_HILIC_PCole_hCSF_Batch5_AYW354.raw SUBJECT_SAMPLE_FACTORS - AYW355 Sample source:Human CSF | Timepoint:F3 RAW_FILE_NAME()=20211204_QEF1_HILIC_PCole_hCSF_Batch5_AYW355.raw SUBJECT_SAMPLE_FACTORS - AYW356 Sample source:Human CSF | Timepoint:F4 RAW_FILE_NAME()=20211204_QEF1_HILIC_PCole_hCSF_Batch5_AYW356.raw SUBJECT_SAMPLE_FACTORS - AYW357 Sample source:Human CSF | Timepoint:F0 RAW_FILE_NAME()=20211204_QEF1_HILIC_PCole_hCSF_Batch5_AYW357.raw SUBJECT_SAMPLE_FACTORS - AYW358 Sample source:Human CSF | Timepoint:F1 RAW_FILE_NAME()=20211204_QEF1_HILIC_PCole_hCSF_Batch5_AYW358.raw SUBJECT_SAMPLE_FACTORS - AYW359 Sample source:Human CSF | Timepoint:F2 RAW_FILE_NAME()=20211204_QEF1_HILIC_PCole_hCSF_Batch5_AYW359.raw SUBJECT_SAMPLE_FACTORS - AYW360 Sample source:Human CSF | Timepoint:F3 RAW_FILE_NAME()=20211204_QEF1_HILIC_PCole_hCSF_Batch5_AYW360.raw SUBJECT_SAMPLE_FACTORS - AYW361 Sample source:Human CSF | Timepoint:F4 RAW_FILE_NAME()=20211204_QEF1_HILIC_PCole_hCSF_Batch5_AYW361.raw SUBJECT_SAMPLE_FACTORS - AYW362 Sample source:Human CSF | Timepoint:F0 RAW_FILE_NAME()=20211204_QEF1_HILIC_PCole_hCSF_Batch5_AYW362.raw SUBJECT_SAMPLE_FACTORS - AYW363 Sample source:Human CSF | Timepoint:F1 RAW_FILE_NAME()=20211204_QEF1_HILIC_PCole_hCSF_Batch5_AYW363.raw SUBJECT_SAMPLE_FACTORS - AYW364 Sample source:Human CSF | Timepoint:F2 RAW_FILE_NAME()=20211204_QEF1_HILIC_PCole_hCSF_Batch5_AYW364.raw SUBJECT_SAMPLE_FACTORS - AYW365 Sample source:Human CSF | Timepoint:F3 RAW_FILE_NAME()=20211204_QEF1_HILIC_PCole_hCSF_Batch5_AYW365.raw SUBJECT_SAMPLE_FACTORS - AYW366 Sample source:Human CSF | Timepoint:F4 RAW_FILE_NAME()=20211204_QEF1_HILIC_PCole_hCSF_Batch5_AYW366.raw SUBJECT_SAMPLE_FACTORS - AYW367 Sample source:Human CSF | Timepoint:F0 RAW_FILE_NAME()=20211204_QEF1_HILIC_PCole_hCSF_Batch5_AYW367.raw SUBJECT_SAMPLE_FACTORS - AYW368 Sample source:Human CSF | Timepoint:F1 RAW_FILE_NAME()=20211204_QEF1_HILIC_PCole_hCSF_Batch5_AYW368.raw SUBJECT_SAMPLE_FACTORS - AYW369 Sample source:Human CSF | Timepoint:F2 RAW_FILE_NAME()=20211204_QEF1_HILIC_PCole_hCSF_Batch5_AYW369.raw SUBJECT_SAMPLE_FACTORS - AYW370 Sample source:Human CSF | Timepoint:F3 RAW_FILE_NAME()=20211204_QEF1_HILIC_PCole_hCSF_Batch5_AYW370.raw SUBJECT_SAMPLE_FACTORS - AYW371 Sample source:Human CSF | Timepoint:F4 RAW_FILE_NAME()=20211204_QEF1_HILIC_PCole_hCSF_Batch5_AYW371.raw SUBJECT_SAMPLE_FACTORS - AYW372 Sample source:Human CSF | Timepoint:F0 RAW_FILE_NAME()=20211204_QEF1_HILIC_PCole_hCSF_Batch5_AYW372.raw SUBJECT_SAMPLE_FACTORS - AYW373 Sample source:Human CSF | Timepoint:F1 RAW_FILE_NAME()=20211204_QEF1_HILIC_PCole_hCSF_Batch5_AYW373.raw SUBJECT_SAMPLE_FACTORS - AYW374 Sample source:Human CSF | Timepoint:F2 RAW_FILE_NAME()=20211204_QEF1_HILIC_PCole_hCSF_Batch5_AYW374.raw SUBJECT_SAMPLE_FACTORS - AYW375 Sample source:Human CSF | Timepoint:F3 RAW_FILE_NAME()=20211204_QEF1_HILIC_PCole_hCSF_Batch5_AYW375.raw SUBJECT_SAMPLE_FACTORS - AYW376 Sample source:Human CSF | Timepoint:F4 RAW_FILE_NAME()=20211204_QEF1_HILIC_PCole_hCSF_Batch5_AYW376.raw SUBJECT_SAMPLE_FACTORS - AYW377 Sample source:Human CSF | Timepoint:F0 RAW_FILE_NAME()=20211204_QEF1_HILIC_PCole_hCSF_Batch5_AYW377.raw SUBJECT_SAMPLE_FACTORS - AYW378 Sample source:Human CSF | Timepoint:F1 RAW_FILE_NAME()=20211204_QEF1_HILIC_PCole_hCSF_Batch5_AYW378.raw SUBJECT_SAMPLE_FACTORS - AYW379 Sample source:Human CSF | Timepoint:F2 RAW_FILE_NAME()=20211204_QEF1_HILIC_PCole_hCSF_Batch5_AYW379.raw SUBJECT_SAMPLE_FACTORS - AYW380 Sample source:Human CSF | Timepoint:F3 RAW_FILE_NAME()=20211204_QEF1_HILIC_PCole_hCSF_Batch5_AYW380.raw SUBJECT_SAMPLE_FACTORS - AYW381 Sample source:Human CSF | Timepoint:F4 RAW_FILE_NAME()=20211204_QEF1_HILIC_PCole_hCSF_Batch5_AYW381.raw SUBJECT_SAMPLE_FACTORS - AYW382 Sample source:Human CSF | Timepoint:F0 RAW_FILE_NAME()=20211204_QEF1_HILIC_PCole_hCSF_Batch5_AYW382.raw SUBJECT_SAMPLE_FACTORS - AYW383 Sample source:Human CSF | Timepoint:F1 RAW_FILE_NAME()=20211204_QEF1_HILIC_PCole_hCSF_Batch5_AYW383.raw SUBJECT_SAMPLE_FACTORS - AYW384 Sample source:Human CSF | Timepoint:F2 RAW_FILE_NAME()=20211204_QEF1_HILIC_PCole_hCSF_Batch5_AYW384.raw SUBJECT_SAMPLE_FACTORS - AYW385 Sample source:Human CSF | Timepoint:F3 RAW_FILE_NAME()=20211204_QEF1_HILIC_PCole_hCSF_Batch5_AYW385.raw SUBJECT_SAMPLE_FACTORS - AYW386 Sample source:Human CSF | Timepoint:F4 RAW_FILE_NAME()=20211204_QEF1_HILIC_PCole_hCSF_Batch5_AYW386.raw SUBJECT_SAMPLE_FACTORS - AYW387 Sample source:Human CSF | Timepoint:F0 RAW_FILE_NAME()=20211204_QEF1_HILIC_PCole_hCSF_Batch5_AYW387.raw SUBJECT_SAMPLE_FACTORS - AYW388 Sample source:Human CSF | Timepoint:F1 RAW_FILE_NAME()=20211204_QEF1_HILIC_PCole_hCSF_Batch5_AYW388.raw SUBJECT_SAMPLE_FACTORS - AYW389 Sample source:Human CSF | Timepoint:F2 RAW_FILE_NAME()=20211204_QEF1_HILIC_PCole_hCSF_Batch5_AYW389.raw SUBJECT_SAMPLE_FACTORS - AYW390 Sample source:Human CSF | Timepoint:F3 RAW_FILE_NAME()=20211204_QEF1_HILIC_PCole_hCSF_Batch5_AYW390.raw SUBJECT_SAMPLE_FACTORS - AYW391 Sample source:Human CSF | Timepoint:F4 RAW_FILE_NAME()=20211204_QEF1_HILIC_PCole_hCSF_Batch5_AYW391.raw SUBJECT_SAMPLE_FACTORS - AYW392 Sample source:Human CSF | Timepoint:F0 RAW_FILE_NAME()=20211204_QEF1_HILIC_PCole_hCSF_Batch5_AYW392.raw SUBJECT_SAMPLE_FACTORS - AYW393 Sample source:Human CSF | Timepoint:F1 RAW_FILE_NAME()=20211204_QEF1_HILIC_PCole_hCSF_Batch5_AYW393.raw SUBJECT_SAMPLE_FACTORS - AYW394 Sample source:Human CSF | Timepoint:F2 RAW_FILE_NAME()=20211204_QEF1_HILIC_PCole_hCSF_Batch5_AYW394.raw SUBJECT_SAMPLE_FACTORS - AYW395 Sample source:Human CSF | Timepoint:F3 RAW_FILE_NAME()=20211204_QEF1_HILIC_PCole_hCSF_Batch5_AYW395.raw SUBJECT_SAMPLE_FACTORS - AYW396 Sample source:Human CSF | Timepoint:F4 RAW_FILE_NAME()=20211204_QEF1_HILIC_PCole_hCSF_Batch5_AYW396.raw #COLLECTION CO:COLLECTION_SUMMARY Excess human CSF during planned lumbar punctures was collected and kept on ice. CO:COLLECTION_SUMMARY Human CSF was aliquoted and stored at -80C. Samples were thawed once and CO:COLLECTION_SUMMARY re-aliquoted into 20uL aliquots and refrozen at -80C. CO:SAMPLE_TYPE Cerebrospinal fluid #TREATMENT TR:TREATMENT_SUMMARY Human CSF samples were collected from patients enrolled in the DFCI 16-001 TR:TREATMENT_SUMMARY trial. Briefly, the lumbar puncture timepoints from which CSF was collected were TR:TREATMENT_SUMMARY as follows: F0 = lumbar puncture from the day of diagnosis (LP), F1 = day 18 of TR:TREATMENT_SUMMARY induction LP (induction is the phase in which intensive systemic and intrathecal TR:TREATMENT_SUMMARY chemotherapy is given to induce remission and kill most cancer cells. If TR:TREATMENT_SUMMARY successful, the patient proceeds to the first consolidation phase (Consolidation TR:TREATMENT_SUMMARY 1A) in which additional therapy is given to eradicate residual disease), F2 = TR:TREATMENT_SUMMARY central nervous system (CNS) phase LP 1 - (the 3-week CNS phase of therapy TR:TREATMENT_SUMMARY follows Consolidation 1A, and consists of therapy directed to the CNS through TR:TREATMENT_SUMMARY intrathecal administration. This helps to kill any cancer cells that are in the TR:TREATMENT_SUMMARY CNS, and to prevent subsequent spread of cancer into the CNS). This first LP is TR:TREATMENT_SUMMARY at the beginning of the CNS phase. F3 = CNS Phase LP 4 - this is the last LP TR:TREATMENT_SUMMARY during the CNS phase, F4 = 1st LP of Consolidation II - this phase follows the TR:TREATMENT_SUMMARY CNS phase and consists of additional therapy to ensure durable remission #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Each sample contained 20uL of human CSF. 160uL of 100% LC-MS grade methanol SP:SAMPLEPREP_SUMMARY supplemented with isotopically-labelled amino acid standards [Cambridge Isotope SP:SAMPLEPREP_SUMMARY Laboratories, MSK-A2-1.2], aminopterin, and reduced glutathione standard SP:SAMPLEPREP_SUMMARY [Cambridge Isotope Laboratories, CNLM-6245-10]). with repeated pipetting up and SP:SAMPLEPREP_SUMMARY down and vortexing for 10 seconds. Then, 40uL of LCMS-grade water containing 125 SP:SAMPLEPREP_SUMMARY mM Ammonium Acetate, 10 mM Na-Ascorbate, and 7.9 mg/mL SP:SAMPLEPREP_SUMMARY 5,5-dithio-bis-(2-nitrobenzoic acid (Ellman's reagent) was added, and the sample SP:SAMPLEPREP_SUMMARY vortexex for another 10 seconds. Samples were then centrifuged for 10 minutes at SP:SAMPLEPREP_SUMMARY 18,000 g to pellet debris. The supernatant was transferred to a new tube and SP:SAMPLEPREP_SUMMARY dried on ice using a liquid nitrogen dryer and stored at -80C. The dried SP:SAMPLEPREP_SUMMARY metabolites were then resuspended in 15uL and 2uL was injected. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY 2 μL of each sample was injected into a ZIC-pHILIC 150 x 2.1 mm (5 μm particle CH:CHROMATOGRAPHY_SUMMARY size) column (EMD Millipore) operated on a Vanquish™ Flex UHPLC system (Thermo CH:CHROMATOGRAPHY_SUMMARY Fisher Scientific). Chromatographic separation was achieved using the following CH:CHROMATOGRAPHY_SUMMARY conditions: buffer A was acetonitrile; buffer B was 20 mM ammonium carbonate, CH:CHROMATOGRAPHY_SUMMARY 0.1% ammonium hydroxide in water; resulting pH is around 9 without pH CH:CHROMATOGRAPHY_SUMMARY adjustment. Gradient conditions used were: 0-20 min: linear gradient from 20% to CH:CHROMATOGRAPHY_SUMMARY 80% B; 20-24 min: hold at 80% B; 24-24.1 min: from 80% to 20% B; 24.1-32 min: CH:CHROMATOGRAPHY_SUMMARY hold at 20% B at 0.150 mL/min flow rate. The column oven and autosampler tray CH:CHROMATOGRAPHY_SUMMARY were held at 25 °C and 4 °C, respectively. CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME SeQuant ZIC-HILIC (150 x 2.1mm,5um) CH:SOLVENT_A 100% acetonitrile CH:SOLVENT_B 100% water; 20mM ammonium carbonate; 0.1% ammonium hydroxide CH:FLOW_GRADIENT Gradient conditions were as follows: linear gradient from 20 to 80% B; CH:FLOW_GRADIENT 20–20.5 min: from 80 to 20% B; 20.5–28 min: hold at 20% B. CH:FLOW_RATE 0.15 mL/min CH:COLUMN_TEMPERATURE 25 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS MS data acquisition was performed using a QExactive benchtop orbitrap mass MS:MS_COMMENTS spectrometer equipped with an Ion Max source and a HESI II probe (Thermo Fisher MS:MS_COMMENTS Scientific) and polarity switching was used. Four scans were used: full scans in MS:MS_COMMENTS both positive and negative ionization mode in a range of m/z = 70–1000, with MS:MS_COMMENTS the resolution set at 70,000, the AGC target at 1 × 106, and the maximum MS:MS_COMMENTS injection time (Max IT) at 20 msec from 0-20 minutes. A third scan in the MS:MS_COMMENTS negative mode was used with range of m/z = 220-700 from 0-20 minutes and the MS:MS_COMMENTS same resolution, AGC settings with 30ms Max IT. Lastly, a targeted-SIM scan was MS:MS_COMMENTS added with a resolution of 35k, AGC target 1e5, and max IT 20ms, isolation MS:MS_COMMENTS window = 1.0 m/z, with an inclusion m/z of 503.0552 (corresponding to MS:MS_COMMENTS Ellman-derivatized glutathione). Tune file parameters were: spray voltage = MS:MS_COMMENTS 3.5kV, capillary temperature = 320C, S-lens RF = 50, auxillary gas temperature = MS:MS_COMMENTS 350C. Data was analyzed by targeted metabolomics approaches (using TraceFinder MS:MS_COMMENTS and matching to an in-house library of standards), as well as untargeted MS:MS_COMMENTS approaches (by CompoundDiscoverer). #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Normalized peak area MS_METABOLITE_DATA_START Samples NK496 NK497 NK498 NK499 NK500 NK501 NK502 NK503 NK504 NK505 NK506 NK507 NK508 NK509 NK510 NK511 NK512 NK513 NK514 NK515 NK516 NK517 NK518 NK519 NK520 NK521 NK522 NK523 NK524 NK525 NK531 NK532 NK533 NK534 NK535 NK536 NK537 NK538 NK539 NK540 NK541 NK542 NK543 NK544 NK545 NK546 NK547 NK548 NK549 NK550 NK551 NK552 NK553 NK554 NK555 NK556 NK557 NK558 NK559 NK560 NK561 NK562 NK563 NK564 NK565 NK566 NK567 NK568 NK569 NK570 NK571 NK572 NK573 NK574 NK575 AYW170 AYW171 AYW172 AYW173 AYW174 AYW175 AYW176 AYW177 AYW178 AYW179 AYW180 AYW181 AYW182 AYW183 AYW184 AYW185 AYW186 AYW187 AYW188 AYW189 AYW190 AYW191 AYW192 AYW193 AYW194 AYW200 AYW201 AYW202 AYW203 AYW204 AYW205 AYW206 AYW207 AYW208 AYW209 AYW210 AYW211 AYW212 AYW213 AYW214 AYW215 AYW216 AYW217 AYW218 AYW219 AYW220 AYW221 AYW222 AYW223 AYW224 AYW225 AYW226 AYW227 AYW228 AYW229 AYW234 AYW235 AYW236 AYW237 AYW238 AYW239 AYW240 AYW241 AYW242 AYW243 AYW244 AYW245 AYW246 AYW247 AYW248 AYW249 AYW250 AYW251 AYW252 AYW253 AYW254 AYW255 AYW256 AYW257 AYW258 AYW259 AYW260 AYW261 AYW262 AYW263 AYW264 AYW265 AYW266 AYW267 AYW268 AYW269 AYW270 AYW271 AYW272 AYW273 AYW274 AYW275 AYW276 AYW277 AYW278 AYW279 AYW280 AYW281 AYW282 AYW283 AYW284 AYW285 AYW286 AYW287 AYW288 AYW289 AYW290 AYW291 AYW292 AYW293 AYW298 AYW299 AYW300 AYW301 AYW302 AYW303 AYW304 AYW305 AYW306 AYW307 AYW308 AYW309 AYW310 AYW311 AYW312 AYW313 AYW314 AYW315 AYW316 AYW317 AYW318 AYW319 AYW320 AYW321 AYW322 AYW323 AYW324 AYW325 AYW326 AYW327 AYW328 AYW329 AYW330 AYW331 AYW332 AYW333 AYW334 AYW335 AYW336 AYW337 AYW338 AYW339 AYW340 AYW341 AYW342 AYW347 AYW348 AYW349 AYW350 AYW351 AYW352 AYW353 AYW354 AYW355 AYW356 AYW357 AYW358 AYW359 AYW360 AYW361 AYW362 AYW363 AYW364 AYW365 AYW366 AYW367 AYW368 AYW369 AYW370 AYW371 AYW372 AYW373 AYW374 AYW375 AYW376 AYW377 AYW378 AYW379 AYW380 AYW381 AYW382 AYW383 AYW384 AYW385 AYW386 AYW387 AYW388 AYW389 AYW390 AYW391 AYW392 AYW393 AYW394 AYW395 AYW396 Factors Sample source:Human CSF | Timepoint:F0 Sample source:Human CSF | Timepoint:F1 Sample source:Human CSF | Timepoint:F2 Sample source:Human CSF | Timepoint:F3 Sample source:Human CSF | Timepoint:F4 Sample source:Human CSF | Timepoint:F0 Sample source:Human CSF | Timepoint:F1 Sample source:Human CSF | Timepoint:F2 Sample source:Human CSF | Timepoint:F3 Sample source:Human CSF | Timepoint:F4 Sample source:Human CSF | Timepoint:F0 Sample source:Human CSF | Timepoint:F1 Sample source:Human CSF | Timepoint:F2 Sample source:Human CSF | Timepoint:F3 Sample source:Human CSF | Timepoint:F4 Sample source:Human CSF | Timepoint:F0 Sample source:Human CSF | Timepoint:F1 Sample source:Human CSF | Timepoint:F2 Sample source:Human CSF | Timepoint:F3 Sample source:Human CSF | Timepoint:F4 Sample source:Human CSF | Timepoint:F0 Sample source:Human CSF | Timepoint:F1 Sample source:Human CSF | Timepoint:F2 Sample source:Human CSF | Timepoint:F3 Sample source:Human CSF | Timepoint:F4 Sample source:Human CSF | Timepoint:F0 Sample source:Human CSF | Timepoint:F1 Sample source:Human CSF | Timepoint:F2 Sample source:Human CSF | Timepoint:F3 Sample source:Human CSF | Timepoint:F4 Sample source:Human CSF | Timepoint:F0 Sample source:Human CSF | Timepoint:F1 Sample source:Human CSF | Timepoint:F2 Sample source:Human CSF | Timepoint:F3 Sample source:Human CSF | Timepoint:F4 Sample source:Human CSF | Timepoint:F0 Sample source:Human CSF | Timepoint:F1 Sample source:Human CSF | Timepoint:F2 Sample source:Human CSF | Timepoint:F3 Sample source:Human CSF | Timepoint:F4 Sample source:Human CSF | Timepoint:F0 Sample source:Human CSF | Timepoint:F1 Sample source:Human CSF | Timepoint:F2 Sample source:Human CSF | Timepoint:F3 Sample source:Human CSF | Timepoint:F4 Sample source:Human CSF | Timepoint:F0 Sample source:Human CSF | Timepoint:F1 Sample source:Human CSF | Timepoint:F2 Sample source:Human CSF | Timepoint:F3 Sample source:Human CSF | Timepoint:F4 Sample source:Human CSF | Timepoint:F0 Sample source:Human CSF | Timepoint:F1 Sample source:Human CSF | Timepoint:F2 Sample source:Human CSF | Timepoint:F3 Sample source:Human CSF | Timepoint:F4 Sample source:Human CSF | Timepoint:F0 Sample source:Human CSF | Timepoint:F1 Sample source:Human CSF | Timepoint:F2 Sample source:Human CSF | Timepoint:F3 Sample source:Human CSF | Timepoint:F4 Sample source:Human CSF | Timepoint:F0 Sample source:Human CSF | Timepoint:F1 Sample source:Human CSF | Timepoint:F2 Sample source:Human CSF | Timepoint:F3 Sample source:Human CSF | Timepoint:F4 Sample source:Human CSF | Timepoint:F0 Sample source:Human CSF | Timepoint:F1 Sample source:Human CSF | Timepoint:F2 Sample source:Human CSF | Timepoint:F3 Sample source:Human CSF | Timepoint:F4 Sample source:Human CSF | Timepoint:F0 Sample source:Human CSF | Timepoint:F1 Sample source:Human CSF | Timepoint:F2 Sample source:Human CSF | Timepoint:F3 Sample source:Human CSF | Timepoint:F4 Sample source:Human CSF | Timepoint:F0 Sample source:Human CSF | Timepoint:F1 Sample source:Human CSF | Timepoint:F2 Sample source:Human CSF | Timepoint:F3 Sample source:Human CSF | Timepoint:F4 Sample source:Human CSF | Timepoint:F0 Sample source:Human CSF | Timepoint:F1 Sample source:Human CSF | Timepoint:F2 Sample source:Human CSF | Timepoint:F3 Sample source:Human CSF | Timepoint:F4 Sample source:Human CSF | Timepoint:F0 Sample source:Human CSF | Timepoint:F1 Sample source:Human CSF | Timepoint:F2 Sample source:Human CSF | Timepoint:F3 Sample source:Human CSF | Timepoint:F4 Sample source:Human CSF | Timepoint:F0 Sample source:Human CSF | Timepoint:F1 Sample source:Human CSF | Timepoint:F2 Sample source:Human CSF | Timepoint:F3 Sample source:Human CSF | Timepoint:F4 Sample source:Human CSF | Timepoint:F0 Sample 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Timepoint:F1 Sample source:Human CSF | Timepoint:F2 Sample source:Human CSF | Timepoint:F3 Sample source:Human CSF | Timepoint:F4 Sample source:Human CSF | Timepoint:F0 Sample source:Human CSF | Timepoint:F1 Sample source:Human CSF | Timepoint:F2 Sample source:Human CSF | Timepoint:F3 Sample source:Human CSF | Timepoint:F4 Sample source:Human CSF | Timepoint:F0 Sample source:Human CSF | Timepoint:F1 Sample source:Human CSF | Timepoint:F2 Sample source:Human CSF | Timepoint:F3 Sample source:Human CSF | Timepoint:F4 Sample source:Human CSF | Timepoint:F0 Sample source:Human CSF | Timepoint:F1 Sample source:Human CSF | Timepoint:F2 Sample source:Human CSF | Timepoint:F3 Sample source:Human CSF | Timepoint:F4 Sample source:Human CSF | Timepoint:F0 Sample source:Human CSF | Timepoint:F1 Sample source:Human CSF | Timepoint:F2 Sample source:Human CSF | Timepoint:F3 Sample source:Human CSF | Timepoint:F4 Sample source:Human CSF | Timepoint:F0 Sample source:Human CSF | Timepoint:F1 Sample source:Human CSF | Timepoint:F2 Sample source:Human CSF | Timepoint:F3 Sample source:Human CSF | Timepoint:F4 Sample source:Human CSF | Timepoint:F0 Sample source:Human CSF | Timepoint:F1 Sample source:Human CSF | Timepoint:F2 Sample source:Human CSF | Timepoint:F3 Sample source:Human CSF | Timepoint:F4 Sample source:Human CSF | Timepoint:F0 Sample source:Human CSF | Timepoint:F1 Sample source:Human CSF | Timepoint:F2 Sample source:Human CSF | Timepoint:F3 Sample source:Human CSF | Timepoint:F4 Sample source:Human CSF | Timepoint:F0 Sample source:Human CSF | Timepoint:F1 Sample source:Human CSF | Timepoint:F2 Sample source:Human CSF | Timepoint:F3 Sample source:Human CSF | Timepoint:F4 Sample source:Human CSF | Timepoint:F0 Sample source:Human CSF | Timepoint:F1 Sample source:Human CSF | Timepoint:F2 Sample source:Human CSF | Timepoint:F3 Sample source:Human CSF | Timepoint:F4 Sample source:Human CSF | Timepoint:F0 Sample source:Human CSF | Timepoint:F1 Sample source:Human CSF | Timepoint:F2 Sample source:Human CSF | Timepoint:F3 Sample source:Human CSF | Timepoint:F4 Sample source:Human CSF | Timepoint:F0 Sample source:Human CSF | Timepoint:F1 Sample source:Human CSF | Timepoint:F2 Sample source:Human CSF | Timepoint:F3 Sample source:Human CSF | Timepoint:F4 Sample source:Human CSF | Timepoint:F0 Sample source:Human CSF | Timepoint:F1 Sample source:Human CSF | Timepoint:F2 Sample source:Human CSF | Timepoint:F3 Sample source:Human CSF | Timepoint:F4 Sample source:Human CSF | Timepoint:F0 Sample source:Human CSF | Timepoint:F1 Sample source:Human CSF | Timepoint:F2 Sample source:Human CSF | Timepoint:F3 Sample source:Human CSF | Timepoint:F4 Sample source:Human CSF | Timepoint:F0 Sample source:Human CSF | Timepoint:F1 Sample source:Human CSF | Timepoint:F2 Sample source:Human CSF | Timepoint:F3 Sample source:Human CSF | Timepoint:F4 Sample source:Human CSF | Timepoint:F0 Sample source:Human CSF | Timepoint:F1 Sample source:Human CSF | Timepoint:F2 Sample source:Human CSF | Timepoint:F3 Sample source:Human CSF | Timepoint:F4 Sample source:Human CSF | Timepoint:F0 Sample source:Human CSF | Timepoint:F1 Sample source:Human CSF | Timepoint:F2 Sample source:Human CSF | Timepoint:F3 Sample source:Human CSF | Timepoint:F4 Sample source:Human CSF | Timepoint:F0 Sample source:Human CSF | Timepoint:F1 Sample source:Human CSF | Timepoint:F2 Sample source:Human CSF | Timepoint:F3 Sample source:Human CSF | Timepoint:F4 Sample source:Human CSF | Timepoint:F0 Sample source:Human CSF | Timepoint:F1 Sample source:Human CSF | Timepoint:F2 Sample source:Human CSF | Timepoint:F3 Sample source:Human CSF | Timepoint:F4 Sample source:Human CSF | Timepoint:F0 Sample source:Human CSF | Timepoint:F1 Sample source:Human CSF | Timepoint:F2 Sample source:Human CSF | Timepoint:F3 Sample source:Human CSF | Timepoint:F4 Sample source:Human CSF | Timepoint:F0 Sample source:Human CSF | Timepoint:F1 Sample source:Human CSF | Timepoint:F2 Sample source:Human CSF | Timepoint:F3 Sample source:Human CSF | Timepoint:F4 Sample source:Human CSF | Timepoint:F0 Sample source:Human CSF | Timepoint:F1 Sample source:Human CSF | Timepoint:F2 Sample source:Human CSF | Timepoint:F3 Sample source:Human CSF | Timepoint:F4 Sample source:Human CSF | Timepoint:F0 Sample source:Human CSF | Timepoint:F1 Sample source:Human CSF | Timepoint:F2 Sample source:Human CSF | Timepoint:F3 Sample source:Human CSF | Timepoint:F4 Sample source:Human CSF | Timepoint:F0 Sample source:Human CSF | Timepoint:F1 Sample source:Human CSF | Timepoint:F2 Sample source:Human CSF | Timepoint:F3 Sample source:Human CSF | Timepoint:F4 Sample source:Human CSF | Timepoint:F0 Sample source:Human CSF | Timepoint:F1 Sample source:Human CSF | Timepoint:F2 Sample source:Human CSF | Timepoint:F3 Sample source:Human CSF | Timepoint:F4 Sample source:Human CSF | Timepoint:F0 Sample source:Human CSF | Timepoint:F1 Sample source:Human CSF | Timepoint:F2 Sample source:Human CSF | Timepoint:F3 Sample source:Human CSF | Timepoint:F4 Sample source:Human CSF | Timepoint:F0 Sample source:Human CSF | Timepoint:F1 Sample source:Human CSF | Timepoint:F2 Sample source:Human CSF | Timepoint:F3 Sample source:Human CSF | Timepoint:F4 Sample source:Human CSF | Timepoint:F0 Sample source:Human CSF | Timepoint:F1 Sample source:Human CSF | Timepoint:F2 Sample source:Human CSF | Timepoint:F3 Sample source:Human CSF | Timepoint:F4 Sample source:Human CSF | Timepoint:F0 Sample source:Human CSF | Timepoint:F1 Sample source:Human CSF | Timepoint:F2 Sample source:Human CSF | Timepoint:F3 Sample source:Human CSF | Timepoint:F4 Sample source:Human CSF | Timepoint:F0 Sample source:Human CSF | Timepoint:F1 Sample source:Human CSF | Timepoint:F2 Sample source:Human CSF | Timepoint:F3 Sample source:Human CSF | Timepoint:F4 Sample source:Human CSF | Timepoint:F0 Sample source:Human CSF | Timepoint:F1 Sample source:Human CSF | Timepoint:F2 Sample source:Human CSF | Timepoint:F3 Sample source:Human CSF | Timepoint:F4 Sample source:Human CSF | Timepoint:F0 Sample source:Human CSF | Timepoint:F1 Sample source:Human CSF | Timepoint:F2 Sample source:Human CSF | Timepoint:F3 Sample source:Human CSF | Timepoint:F4 Sample source:Human CSF | Timepoint:F0 Sample source:Human CSF | Timepoint:F1 Sample source:Human CSF | Timepoint:F2 Sample source:Human CSF | Timepoint:F3 Sample source:Human CSF | Timepoint:F4 C13 H11 N2 O4 P 443463208.3 599046491.6 1069216131 736312833.2 406451967.1 911988880.5 1175235317 970347097 880649096.6 655071272.9 659674939 1017663793 976643292.5 1033451425 943046878.9 1048913380 902373830 724954722.2 774725767.5 552785786.7 805521767.9 872122986.8 1044294582 873914993.3 983818940 528417151.3 736221602.6 290022560.1 612209413.5 429067961.5 692234484.1 706542731.7 501516859.3 379736378.3 591503173.6 1003470857 1343096212 667187427.7 997820449.5 1006946740 872144688 780695176.7 707665106.1 680117864.8 1020110554 947780411.6 872087444.8 724337694.7 610370122.4 751770219.9 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3741926732 3025618894 3058213066 3615619030 2727757025 3362308667 4200838289 3800134231 3901387102 3630430921 4133566330 2791896151 2609802355 2244522259 2862948722 3278603463 3485644790 3841609569 3148702572 2807352298 3538528142 3542427181 4332009788 3013808234 3838615756 4388862775 3335895242 3364367455 4136037101 3254518601 2954473846 3053578526 3384639170 2673066342 2727429477 2943889068 Fucose 82463657.19 23966333.03 102493628.2 79242537.87 123843849.8 207272389.6 271588672.2 199353009.8 203205382 256282538.7 125277470.2 130269021.3 129394667.1 131886721.3 74641325.17 255585593.5 176711760.2 108001401 112516613.6 155980360 251995819.9 66460428.67 129811312.2 90615161.62 125122688.1 98131666.63 54754816.39 100482931 104188936.7 94767116.98 343155285.2 388778195.8 339450797.9 271414660.4 358855990.8 225893783.5 114119338.3 211943693.6 311123765 172167605.8 272942285.4 213244638.3 180172234.3 193062916.6 305912992.4 261900042.7 117893363.1 250653625.8 241408344.9 272203631.5 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24504138.67 23747804.59 21877995.64 16719504.11 24134854.59 20523562.75 18160551.01 22257762.33 25740359.58 26237450.51 19751543.96 14569813.32 16973727.39 27125658.49 20813455.76 28188603.23 18647321.87 12876931.8 12293054.77 23656017.04 16719776.98 19240826.73 12561858.25 17521560.43 19786630.07 17341517.73 14345349.56 32198490.22 14060305.52 13446000.79 14075866.84 9160317.281 13378523.05 23388569.45 25211905.42 18523528.06 14377137.39 21889270.77 19396004.39 23728964.97 21630895.42 22821298.82 15551615.89 11568187.94 17012726.39 44970012.62 21235391.62 29116871.48 22142396.06 28171747.02 16979408.9 18208887.53 35242999.8 14822731.86 25657449.7 20462954.54 14796481.98 13279194.96 12224349.32 20019730.35 17032693.94 16697269.55 15841301.5 14789055.06 18487900.61 18042632.07 10315398.28 16439156.34 21719581.15 21917484.32 26983820.35 19970392.24 14268026.17 18626538.07 23805723.35 16322363.24 20882211.59 32382432.47 19957959.22 17425575.63 16534742.16 15586653.31 23849587.24 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954968177.9 938872791.1 1029600824 438187953.3 740940537.1 1619307958 537295269.8 351743193.4 1135031259 664234949.5 1394171734 415774642.9 1094186247 813794380.3 1001415627 1083679514 924773762.3 497059853.4 1032783274 1788764901 1090959072 1306582594 1321855303 1468296659 1086490974 1246102522 885669338.9 748862610.4 1380988824 1143949762 684898021.8 896354760.7 742431614.9 800024680.4 1108205519 1121550842 818223743.2 851910023.2 917683034.4 896521405.7 782610887.9 836495228.4 760590235.5 797309240.4 653958229.2 525779274 701789524.3 803211957.1 832276466.3 864877174 917119316.4 772765311.8 679047523.5 959106185.4 1003978352 1284229275 1063701657 874028946.7 1008273381 1227712319 1010554339 820512426 846906980.7 747524127.4 911928512.3 672271859 879638257.1 984568913 1467117960 991422494.3 1123068474 1095550015 1089155384 1075544278 962205678 874452069.8 711296999.6 1034862366 908003511.8 1167845993 912241055.6 647641488.6 590988906.1 665682361.5 1161530015 861524791.3 1014352108 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10851827.06 26309103.94 17799298.58 17894751.07 18765775.97 17451138.74 18181515.11 19386618.34 18486265.65 71254621.31 16135846.74 29014856.33 16244750.04 15095249.7 17633168.35 13494260.29 19798260.87 14071572.33 11116207.38 11692302.44 20100702.15 23817402.74 18831217.36 13652311.3 19473913.23 15644448.56 22489211.89 15307183.76 14250489.24 13938068.02 21680443.59 25875698.11 17597882.9 15167117.8 25497965.49 11339521.26 14894921.36 19521680.41 16114420.93 8599732.466 18720923.24 19099839.7 16211951.55 12733191.16 16774784.84 18602560.82 28101282.42 27849757.01 26641181.38 23569307.1 12494221.49 20818421.19 15033437.68 16470326.01 11952757.66 14935531.97 29025998.94 27986989.46 39616074.76 17735208.89 17395728.13 15625631.88 19788830.55 9137539.755 8690934.389 9243109.118 16322234.87 15975431.07 21482829.61 16122676.15 10522874.96 18213772.49 14466660.94 13336800.48 11820543.96 14860964.74 15108630.72 17236340.88 19892560.4 6805139.957 11301092.65 13934641.77 13132163.58 13451511.83 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114574785.3 84811797.47 80516174.31 168241884.1 118746955.3 91279402.89 70816583.95 81442658.01 67345613.56 111593917.3 82599690.55 101618328.7 87946910.48 111285563.4 121718930.9 72226638.73 94472422.17 93840272.71 90137234.55 70715842.45 37949696.41 86793753.38 101091499.1 112309819.8 113956511.6 90765824.31 96093835.14 90969434.1 110707358.6 1215981297 74740024.88 136471261.9 83031646.7 111512360.3 59878915.97 51888488.21 111156667.2 68813176.88 75991563.8 61558022.75 79905745.93 122189729.1 69546884.59 87894849.23 93167496.82 54116074.07 54328303.73 55007310.98 71296449.32 51395770.94 81814099.83 139913566.9 75619165.51 107812316.1 137844717.2 47747475.04 24245828.55 90999594.06 63551431.84 58828313.48 82716028.59 62125936.14 63941645.87 78938920.88 63634886.17 91709001.64 241803389.2 83847969.02 127169955.6 94489324.06 48235294.65 73623058.61 72811578.73 103064566.8 82423399.51 82656577.37 99432046.65 528521742.5 563974263.6 206894273.1 59323964.94 154616287 112300822.2 64732021 46298530.95 57816928.86 89249241.55 93713878.32 122902243 91169864.73 48708184.15 136803531.7 75451390.09 95390950.96 55212518.62 65838274.23 73312283.05 70296868.67 90772600.84 42554058.74 63891110.22 146395993.8 62124203.89 126776841.4 41718413.93 39396229.66 52690429.05 32092143.51 32469011.68 70276175.84 51523352.71 67999209.51 167408089.7 111368581.7 78401995.19 57489895.32 86258913.78 92590119.36 194095349.2 80896681.09 28034783.56 106053556.8 46401184.93 74133446.92 51695387.45 49735359.42 241558411.6 48210443.72 125943533.8 63036881.22 65370353.34 74487669.46 63765525.92 84191820.86 36149298.74 36778055.17 281751107.3 29598422.31 73912734.35 218085077 47602467.76 169423058.6 80630570.21 602600310.2 90127282.04 50667169.31 113156509 60408613.68 54064431.14 104527020.4 53465751.56 44282907.51 59098029.55 64859362.45 54472167.1 57302507.74 112204186 44920624.06 61037683.5 46606661.1 50254465.31 1813980048 54057349.43 56817907.94 38192993.92 39630411.8 62937281.94 42753603.82 54544243.85 310223056.8 33015492.1 72840276.66 65248811.62 47955672.95 52523754.89 33398378.2 27014853.09 39563276.5 38109166.01 30843568.46 50236218.35 83196352.28 51971646.27 56061056.6 61621081.29 38669977.35 145728033.8 83118938.18 87589396.01 100732172.7 43971153.28 48983421.71 46784632.07 51184585.88 34950025.85 71362544.67 57829482.09 94369502.11 92992088.1 114724607.8 45162482.38 92046496.79 59062111.68 88670759.43 79907853.91 68636426.06 80858008.29 62055865.75 770794836.1 400528415.2 54217811.5 79520485.4 49840331.96 56514667.03 59421463.13 100412335.1 120095425.8 91578125.22 97842308.5 96772910.82 90693676.3 122148058.7 99183442.85 102085711.6 64546971.39 51097963.84 67433726.47 55304990.96 60641982.47 58776665.6 70166229.21 195866969.8 87273619.86 90116289.26 112348554.9 69395729.9 76451036.19 76649197.28 59455824.45 69603658.94 71902122.75 67103560.21 74214192.01 67018961.3 63292396.91 xanthine 65795233.02 24465933.83 50336960.28 39898241.32 25467361.64 71589409.62 32299872.89 38057434.22 32284098.3 30669175.18 202014942.4 48089467.86 37729505.28 36115404.77 53910637.55 29193241.25 32054518.24 38617966.75 29954055.03 32642551.64 52005722.78 28988709.78 38498662.63 33880123.72 39292448.36 56893677.52 27650456.62 37983567.17 40014433.99 36325342.37 44948448.31 30459251.24 25187001.09 23780332.35 31291791.49 130540143.1 70873404.6 36737109.42 59737761.26 55758643.83 112049219.3 35879072.34 32461273.39 43136481.81 46393007.6 28194132.37 24062248.32 28021984.61 26913227.89 30255780.28 78352526.73 56898971.27 39444814.92 40865944.36 43997282.43 63072736.2 22490056.1 22825030.04 19831841.94 24389117.53 38205468.83 79469460.61 37373311.52 26885405.35 30380833.13 117318888 56649836.7 24720655.4 36929512.22 31562312.55 86400903.35 34128483.13 31705205.4 37084071.95 32926234.59 58677058.13 37191931.87 45456651.5 54372044.58 53975298.04 27064942.88 25305011.54 27750081.19 38500348.2 33128131.43 81630686.46 29917971.64 27963907.55 33902558.98 32150514.81 44611190.13 48181837.58 27263011.17 44271781.85 43046798.26 26246537.5 57439662.22 28269278.87 54462826.31 27514694.56 119605135.7 27618687.81 42501578.17 38513793.91 37698732.12 132134332.8 81003526.06 37452886.13 54891284.41 44715624.62 67297230.21 32356489.68 36098735.81 32900583.44 38768083.28 100296558.4 67376158.43 45965017.89 51288604.19 74786862.61 33604178.02 29710908.66 29232417.5 24563095.42 27862101.99 36239501.72 35122855.27 51632782.5 50324823.23 72215997.64 55489152.24 28907357.83 31660786.04 22744996.95 40944279.05 66230135.7 27369037.66 35959060.42 30992372.63 24976264.82 43998241.17 29369344.24 45732113.33 51153379.5 30807734.02 60277961.42 19169821.24 30126578.53 18888383.14 44642963.55 58728749.4 21823315.76 41438836.9 55105408.68 30770506.42 52028644.44 30098766.68 27927623.84 44305973.1 15678390.16 32819374.93 31634995.83 25871772.01 38979045.36 35101588.77 36701922.58 36476106.83 23263320.77 31331559.21 34560985.45 45486103.33 20971825.96 32645693.48 33593620.38 25487916.84 38056492.18 18724489.89 19484583.3 25482165.86 27172094.87 119559900.2 39475711.36 22929713.01 47203206.24 48231793.37 81187539.03 49686282.42 50591745.7 35982489.9 77066046.51 192676162.2 54084263 28468910.67 36421217.08 27816455.01 39026467.42 29509249.2 36571769.14 31589813.96 39590380.72 66794798.11 15850536.77 30734487.2 40663548.79 39002294.01 56681447.55 33577949.28 28297091.29 28488378.07 39326929.25 56167099.72 45202958.74 45782928.8 38381700.28 41489474.48 71129360.95 22410165.81 37406642.74 37569080.09 45956609.04 59043921.43 23970169.45 32016273.64 25578392.21 42802204.91 72609441.63 35691553.72 30186798.16 44558661.09 24025729.28 51395107.23 24328092.04 33543870.19 52748657.45 43768519.08 110126248.1 22697290.87 28579633.16 38548250.84 54089761.92 25765850.3 22448785.31 33080325.6 23257809.65 28647850.98 84772607.32 41700789.52 33714134.63 34830439.83 52716314.7 40955369.67 61907653.87 52537716.21 44785518.15 49271260.89 95088128.67 23336608.1 21812621.88 21772164.02 17263066.29 54606820.84 30020412.69 37634933.8 31000739.45 41008557.01 90725824.72 40455869.34 38551425.43 35673007.38 39703640.1 25717560.08 32664413.54 26046417.33 49548951.7 25472260.28 79095448.42 53319274 48516441.52 29387499.87 34502087.36 70296711.13 38750055.97 43961954.98 38480745.69 51356666.28 XYLITOL 113726984.7 137787333.9 101163508.7 107692987.6 67574829.95 110172333.9 157120272.3 118527314.9 123391384.6 114747249.8 126641175 314287153.6 153349869.8 156815800.4 145102226.9 166862128.5 134860913.6 147156276.3 155550516.7 121560294.6 109686428.2 158198352.5 118315568.3 120375207.3 129302880.2 91645451.41 70547254.06 55169560.35 54965221.43 52646977.45 69460535.99 98335568.52 68786660.36 63861938.44 90699987.15 186197077.1 320177139.6 148561841.9 233023038.5 200648755.3 127455328.7 156438978.3 126991146.6 217147008.4 142625636.6 123654791 147767064 96654025.3 127935790.9 76715046.79 124831000.7 241855032 146896688.4 291483038.1 176158201.9 124124974.7 124816676.3 135298919.5 108861136.7 136220460.9 14833964.21 142154452.9 85642276.01 81697423.75 74739169.81 140260437.4 301253924.7 100272715 156066272.4 65644967.93 120379730.5 161273363.6 110090721.1 121226893.4 114035641.9 122734004.4 175691018.9 133083277.3 216916383.8 148221474.4 71439670.01 94893449.13 103799088.1 219548069.8 97784916.93 60133762.79 85038947.13 79518769.85 78523603.02 78747195.04 133127803.7 195300189.4 107549919.2 164680917.4 152160211.6 127523265.5 286127960.9 166997320.3 275328712.4 145900652.7 114312189.2 98832554.28 103714283 94299087.07 86705181.52 126065274.5 353714832.1 91569034.06 169562849.3 137090410.3 71671037.83 99694767.83 80099199.17 74418457.26 87567298.16 133816234.5 173838942.3 57285374.61 96795982.3 113741469.8 77810432.22 123807290.6 71531896.15 71212117.09 74924347.61 63932034.69 114961961.7 63587669.03 119968483.3 120529527.8 106235066.8 116727998.8 108157704.5 75206673.21 149261951.4 148932165.2 81646057.36 118516652 146945449.8 62569435.32 65667601.35 101129653.2 129187136.2 209909648.6 71947388.57 104312270.9 83741902.03 88308149.81 78577555.43 148256732.5 67467951.87 64637761.57 120666105.8 172026732 76407389.14 110567247.6 178501640.5 174583359.1 381489512.4 105798905.6 51841770.97 92734559.03 63601933.93 61135146.22 93305201.67 93098769.09 222878435.7 116284370.3 209419519.2 155816761.4 82041109.85 93136987.64 102832160.9 90475272.86 56604762.32 64003486.07 92842395.12 44015211.45 71315835.36 45858336.24 68329143.04 143500205.4 50713457.25 72586995.98 59418671.83 113006563 210213501.1 115185808.2 106300173.5 201740341.6 150618918.1 202307257.7 151994646.8 191146625.3 146388217.8 180362061.3 166222472.5 140116408.9 194849133 140560660.5 90649657.4 28184270.12 86414602 95050911.94 90757135.6 107347999.1 118610954.4 81296800.61 88113397.33 57492634.37 146105171.7 193119499.9 129741502.4 141787999.9 127640294 173297032.6 64848167.87 75940741.3 85104934.08 88212327.95 78363835.76 87624105.43 81427592.49 94371006.43 100601330.3 154017497.5 245717477.9 145065995.1 282699062.7 137761117.4 47528219.83 57787687.36 48331097.6 170382544 113915909 55876443.62 51884062.26 50445005.13 86783517.34 141031609.9 75687366.01 104251710.8 80313357.55 74312885.9 91121479.22 126304069.1 119856757.2 85045726.96 58737200.63 60816811.74 102970843.9 140150462.6 117630730 139590841.7 122419440.5 122665784.1 113505955 105075243.1 121455480.5 95885625.26 106281103.1 115064583.5 91688831.06 102993721.6 111394497.9 99707874.07 157194158.4 111921169.8 126658173.1 128972085.1 147951537.1 251500629.8 155617197.2 254138063.8 129356711.7 124958997 274892466.6 187889613.1 151353893.8 150402259.3 109455835.2 126630914.5 116510398.5 136642537.9 183987343.3 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Formula Calc. MW m/z RT [min] C13 H11 N2 O4 P C13 H11 N2 O4 P 290.04452 289.03725 6.344 C15 H19 N2 O6 P C15 H19 N2 O6 P 354.09726 353.08999 9.145 C4 H6 O10 C4 H6 O10 213.99617 212.98889 12.153 C5 H9 Cl O7 C5 H9 Cl O7 216.00375 214.99647 8.905 C16 H13 N2 O8 P C16 H13 N2 O8 P 392.04005 391.03278 12.17 C14 H16 N3 O2 P S C14 H16 N3 O2 P S 321.06971 320.06243 13.649 1-(sn-glycero-3-phospho)-1D-myo-inositol C9 H19 O11 P 334.06636 333.05909 10.725 2-Furoic acid C5 H4 O3 112.01596 111.00868 12.154 3-HYDROXYMETHYLGLUTARATE C6 H10 O5 162.05272 161.04545 9.19 3-Hydroxyvaleric acid C5 H10 O3 118.06282 117.05554 3.249 3-methyl-2-oxopentanoic acid C6 H10 O3 130.06286 129.05558 2.232 4-Oxoproline C5 H7 N O3 129.04251 128.03523 7.122 acetylserine C5 H9 N O4 147.05305 146.04577 7.153 AJ4900000 C2 H4 O5 S 139.97791 138.97063 12.206 alpha-keto-isovalerate C5 H8 O3 116.04716 115.03988 2.857 arginine C6 H14 N4 O2 174.11159 173.10431 14.043 cis-aconitate C6 H6 O6 174.01634 173.00907 12.226 citrate C6 H8 O7 192.02694 191.01966 12.158 Fucose C6 H12 O5 164.06838 163.0611 6.717 gamma-Glu-gln C10 H17 N3 O6 275.11148 274.1042 10.193 GLUCONATE C6 H12 O7 196.05823 195.05095 9.045 glucose C6 H12 O6 180.06318 179.0559 9.185 glutamine C5 H10 N2 O3 146.06904 145.06176 9.317 histidine C6 H9 N3 O2 155.0693 154.06202 8.931 Isethionic acid C2 H6 O4 S 125.99859 124.99132 7.193 Lactic Acid C3 H6 O3 90.03158 89.0243 5.96 lysine C6 H14 N2 O2 146.10546 145.09818 13.478 MANNOSE C6 H12 O6 180.06322 179.05594 7.912 MW_181.99782@RT_8.596 C5 H7 Cl O5 181.99803 180.99075 8.872 MW_216.03962@RT_8.690 C6 H13 Cl O6 216.03991 215.03263 8.988 MW_224.08911@RT_6.653 C8 H16 O7 224.08937 223.0821 6.74 MW_228.00320@RT_8.798_peak1 C6 H9 Cl O7 228.00343 226.99615 8.981 MW_228.00320@RT_8.798_peak2 C6 H9 Cl O7 228.00349 226.99621 8.69 MW_296.00027@RT_12.409 C4 H14 N2 O7 P2 S 296.00084 294.99356 12.162 MW_391.04320@RT_12.324 C5 H16 N9 O6 P3 391.04374 390.03647 12.167 MW_97.97684@RT_8.605 C H3 Cl O3 97.9769 96.96962 8.982 myo-inositol C6 H12 O6 180.0633 179.05602 10.864 N-Acetyl-1-aspartylglutamic acid C11 H16 N2 O8 304.09054 303.08327 11.333 N-ACETYLNEURAMINATE C11 H19 N O9 309.10588 308.09861 8.922 Ornithine degenerate C5 H12 N2 O2 132.08987 131.0826 14.028 pseudouridine C9 H12 N2 O6 244.06926 243.06198 6.858 sorbitol C6 H14 O6 182.07889 181.07161 8.393 Sulfuric acid H2 O4 S 97.96727 96.95999 12.186 tyrosine C9 H11 N O3 181.0738 180.06652 7.61 uric acid C5 H4 N4 O3 168.02817 167.02089 8.503 valine C5 H11 N O2 117.07884 116.07156 7.209 xanthine C5 H4 N4 O2 152.03332 151.02605 7.314 XYLITOL C5 H12 O5 152.06833 151.06106 7.573 METABOLITES_END #END