#METABOLOMICS WORKBENCH alanyl_20250326_093944 DATATRACK_ID:5790 STUDY_ID:ST003838 ANALYSIS_ID:AN007509 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 - 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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 POSITIVE 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 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 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 C14 H26 N2 O6 S 41557278.07 59324695.05 44462183.3 46609541.65 25871429.23 45386448.72 54394607.56 54536391.08 44717321.35 47253664.05 31486317.55 73373353.32 32537488.77 42815378.28 50946050.17 57097441.11 76844366.45 61382548.88 59799531.78 52921055.23 58566949.43 86877585.6 51290627.26 54280643.01 62762002.29 46221485.34 44657138.04 32975078.15 50332467.02 36072294.05 28538560.88 44210517.17 28158281.56 23438027.15 40110576.16 44216216.27 113181189 42751417.28 83881082.56 67551875.45 39135121.31 49422721.85 37570660.8 60743494.93 53941120.01 35568165.4 54839703.89 24058670.57 31399617.08 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14982857.95 18502179.24 24496455.9 22992453.14 26961500.66 28583541.13 29718659.52 65384336.07 28213915.37 12842027.6 25178647.25 24043210.76 25088830.22 18652232.25 13824328.03 11375486.74 15713789.82 19899892.34 19003780.47 C15 H38 N3 P3 S 11003158.51 5606218.588 14104187.8 4106011.051 2906700.836 7354046.493 15397527.36 2816352.043 3969365.355 8686827.636 20313634.06 8677756.852 5219459.964 2937515.968 10405717.85 4978592.922 10100415.21 11175301.78 10355172.17 10370893.02 13122421.92 13311850.99 11640965.66 7683752.55 8162261.974 26913368.48 8376355.574 10011379.15 4555943.563 8918836.007 13462953.14 11917639.49 12874661.73 8184765.877 9734696.239 1729680.794 16803846.69 7805914.139 8930822.949 12905685.45 16887617.03 9334407.353 11786834.75 8215820.482 4163550.02 5591286.103 8816544.66 10001710 3819467.32 9593181.279 23342945.08 7948981.774 3181678.749 9730980.636 11428807.44 9510169.037 6221506.217 9078271.339 5573816.411 4776158.857 4273965.24 14258171.89 4187463.958 2176843.902 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12541273.93 17924959.26 35627640.36 22609963.38 14480951.85 36812838.16 27791690.95 91806258.05 33746030.37 50488243.81 47207642.3 39194438.47 45454856.86 32918585.25 55985413.29 48363899.61 25947227.6 48934971.54 16159598.54 17177966.1 19670663.41 20458285.38 49563421.05 39258890.29 72385861.55 36990616.15 19756601.08 33967062.16 24416937.78 14728234.73 27220479.73 6127757.317 43336069.57 19658639.56 20202917.54 17950888.17 16112158.5 61267702.63 16493100.31 18820310.43 25072780.68 16463071.23 39795264.9 27285394.24 25420488.61 24987123.31 31591410.93 70224117.45 20038429.43 40563974.53 41310891.95 16258068.73 28885793.1 14967346.22 40433692.15 25522596.89 28155170.98 36206412.62 25580804.12 20180366.08 22515339.27 23484438.1 49742486.86 20107690.78 26774656.99 52838363.19 18508617.68 56475913.33 18099767.88 28381919.48 19753507.03 35555780.85 28905427.85 24462804.16 20444240.12 27803991.32 21300606.14 106391614.1 10533463.92 19893944.3 15494861.94 15460638.99 36891778.13 16236136.7 12098137.68 24178522.04 35446863.47 71082607.69 14154741.69 18852753.2 32765841.43 9545031.565 23418881.17 7021063.914 6883857.003 11586539.01 13751479.48 40105712.31 28537915.18 37861621.36 46599165.44 33237620.52 47312210.73 23427165.83 22691527.32 47246461.32 31738809.18 29070531.33 19201799.74 20340229.35 16774801.76 27597089.3 72319574.08 26059922.25 45871393.06 31330184.11 11181807.13 32678077.88 16697422.9 17767851.47 23506306.49 18884997.94 32414990.21 26452618.34 37257649.14 21775036.2 40837179.1 75219172.23 61536785.27 72952680.91 31730743.64 14788619.21 51876769.6 27277559.38 24774900.91 37288949.91 17667845.34 50011404.74 18023088.86 21582791.33 22798564.33 8323519.46 13672971.64 9568724.09 7785925.913 12246027.32 12551545.08 40486416.22 11639361.34 23616862.04 5231516.474 6047672.431 25120309.96 7106998.672 11101372.6 14146996.84 17505350.71 53701579.95 17357741.98 17469765.75 27618597.84 33712482.21 50477528.2 22659345.37 26872049.19 31074933.1 52176115.14 69800216.28 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24965326.98 12614805.1 7680627.731 9696656.352 15102004.44 10727136.26 7939095.931 22254085.57 11597379.22 24140694.96 9361060.788 5823847.648 3203521.747 4832987.007 14779635.12 377529.621 3411069.975 3329994.165 13732275.57 2979278.353 6356254.025 4447899.368 11976417.73 3993055.32 2611186.812 4853994.684 12867231.65 3322034.043 3557102.415 7217858.062 4044376.439 3975606.754 3691733.324 12869813.61 2823760.514 3321680.125 4841637.753 6092680.14 4294466.364 8855989.646 6152591.593 18448993.14 10933728.95 17561325.6 5279237.661 7047624.136 12555694.42 16027189.52 3869931.324 5725443.161 6615461.934 5726927.933 10318296.55 6126233.301 12892096.83 10785000.09 11192180.12 8186987.788 13035274 4486163.926 5354998.934 4490996.234 2085047.847 6844327.628 6401253.928 6554219.608 9999794.172 6103851.905 6811897.975 14107361.96 8510103.087 11959939.27 11608656.54 11806490.06 7722644.201 5374169.156 3006362.52 5899617.286 8036477.13 12110384.65 10093887.56 7267856.91 5773115.09 9348075.884 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18702289.37 37117560.79 4306611.537 19044481.71 14533495.22 16976358.17 15515517.07 4280350.144 7040043.811 5491380.459 2212889.45 9060427.161 6221348.468 7891335.128 6908382.303 7902235.71 5189726.072 4448175.951 6553401.65 4012590.381 6045218.054 5299458.608 6883961.146 9831994.267 4412677.798 5333957.216 7026489.321 8243464.029 11130954.6 8360706.429 10742270.73 5469984.684 1064782.368 5882900.264 8775177.718 5952499.904 2985443.867 6020314.496 16768647.53 3689495.06 7013272.23 9865120.579 4627145.739 2123510.495 4724922.62 1576983.339 8168358.306 5729700.182 4056727.795 13821098.43 13577162.22 9024770.9 3796891.344 13273712.7 8814382.547 6733980.68 6132457.661 4007209.899 10945655.84 8929516.528 10470008.76 1711794.734 8439297.403 8375471.794 9454452.088 5646763.766 8042056.98 1432208.027 8769838.41 6725646.196 6118122.277 6005709.694 5620504.838 7950759.346 5423071.123 10012323.11 7326196.45 5843915.342 5646328.722 5390608.733 5509176.651 4338753.395 4080897.494 5211292.253 2496724.95 5184599.609 7889654.136 5321866.67 7646287.466 9210057.452 7708517.002 6935692.127 2627212.772 7538918.983 5544203.383 9797403.715 11123649.97 4264714.408 11357717.2 5054058.676 3166035.883 7898250.448 3962554.318 4912527.109 6409382.671 8920387.592 3713239.366 2873664.476 7742847.745 3142659.787 4968534.446 14972487.19 4552462.651 9998518.169 5294278.198 14080987.92 10599730.57 3765722.756 2361210.909 6427648.806 5625486.775 9253025.208 7798364.307 6044095.012 12419878.03 9978503.917 6893585.557 9049488.005 6942364.929 3629111.96 8807547.261 10873781.22 3663831.03 1324739.684 7620144.167 5105517.923 7837960.985 7224318.119 10285328.72 5027826.443 7201592.366 10234202.35 4105454.513 5999907.948 6660314.115 4850642.813 7536294.965 7143588.396 2446920.317 6527132.503 7314295.652 7016756.344 3218400.487 6663674.734 2180892.443 5114026.612 9055225.238 5931593.526 11840540.84 8493473.449 8249011.065 7085106.764 2728544.896 4282174.223 6183067.55 8148953.194 7706213.49 2645751.469 5902252.403 6433224.141 6325561.995 12917360.2 2996606.169 8158675.95 5738176.083 8706464.004 2240006.727 6596884.23 8570415.198 5363736.785 10817832.82 17011650.81 4790531.683 6508492.133 4733708.126 5821614.556 7469534.329 2247723.628 7416961.954 6537250.355 5747692.816 5911268.418 4198377.323 7594328.258 6109644.035 6865098.923 7405865.286 2466141.754 7852247.563 6188852.027 7362277.55 5534458.125 6695124.909 8502579.619 6960978.392 3331783.74 7072706.795 7363839.649 7943053.814 10273968.58 2357847.713 7795267.244 5335807.976 7430028.46 5930468.807 6795083.318 9233512.938 C6 H11 N10 O5 P 6835659.976 1841756.701 2703723.019 1376301.335 1209142.357 3806407.324 1605003.265 3632339.071 2497943.788 4322531.644 7965249.496 7792218.975 9770245.893 6804444.409 11877521.55 4446743.229 1821035.502 7293533.522 3624167.539 6704900.041 3944610.825 2820046.713 3452285.795 4899020.839 3996995.771 5740421.995 362162.5203 1534979.758 2785334.01 1518762.944 2806349.312 1737192.568 1672974.632 1530709.644 2493809.514 5437964.882 11998267.16 6504145.289 7726504.52 5524923.292 9841772.791 4381901.76 4806085.675 4776984.609 7926313.094 6440875.723 4027272.716 6531921.014 6135277.544 4154879.838 4872946.419 7003054.794 6975875.422 7122721.823 5003753.889 2197271.121 2166672.081 2889536.534 1155684.257 5873787.949 864366.2819 2573786.606 6608355.893 2120811.377 1452225.019 9355589.083 7927907.601 4534631.153 7888933.743 948268.7662 13503511.25 8508722.341 13101281.94 9079599.787 10438624.95 6213461.153 7430314.329 5908710.112 11116286.34 7991334.33 3462613.823 3663354.428 5358768.924 7785759.901 7015701.394 3756692.058 5521271.829 6166457.498 4628656.056 5116755.47 7573570.398 8674868.468 5811313.32 8398815.093 11094074.87 5682697.39 9765709.823 5970912.127 10512682.41 8608684.686 9825089.281 4586714.438 7075406.817 5225077.017 8650662.786 6913338.574 9295129.781 5934393.256 9884584.679 5965662.521 7530725.53 6329395.963 6621840.828 5935474.831 8068045.261 8123525.76 8963633.531 3170581.734 4594497.2 6010726.56 6016377.312 5501589.572 5927062.623 6373062.294 6856426.083 5259915.5 4020862.344 7003721.705 8851402.273 10799991.74 7573366.972 6534521.171 8093505.254 4205870.662 7696340.592 9601940.428 3860387.463 8332937.873 6054395.629 10082614.04 5412461.978 4789098.118 8652914.252 8397587.326 5862140.039 5620479.881 4497756.462 8185159.681 6254650.492 8729765.171 4734954.85 3894649.967 7831287.223 9198323.143 5270363.891 9086265.754 8388487.613 9318303.171 9245346.939 5113694.739 3919944.455 5012026.134 6363558.78 8379531.243 7783457.238 5247478.956 8387918.466 7708505.795 10115830.79 10407883.37 3779159.032 3950388.334 5588556.64 5190020.647 3866829.093 4181581.845 4359274.146 2686139.733 4766192.145 4975189.378 4506400.819 4308832.665 4887825.37 5101761.193 8523031.545 8378770.585 7030181.791 7052179.1 5884485.325 8999518.168 8238342.502 9536800.465 8970474.388 7071186.138 8284709.424 11356694.35 8173968.415 10601752.77 9484887.004 14600041.99 6713484.975 1207428.124 6179991.488 7395119.008 7320660.299 8422113.727 5834251.381 7028967.034 5386067.028 4243487.94 7341229.778 6643284.027 11240755.47 8600574.581 10465535.48 8844178.318 3107475.286 6286466.922 5977170.455 5584191.695 6275200.658 4484655.76 7254721.324 4851761.45 6646420.213 6851401.414 8637525.114 5476106.911 6408561.426 5454266.532 4343810.122 3602873.596 4506232.013 8285073.948 6284833.9 3547041.871 3650836.284 3745049.919 4672720.523 8238474.842 6795478.2 4593523.724 5479717.95 4713879.623 7472745.681 7850393.501 6238067.746 6950652.004 4480152.983 5249298.277 7788053.91 8568650.59 10006004.84 7783207.733 9322176.941 9011890.23 5799476.392 7314452.83 7379843.904 5659694.364 8008529.681 7103192.266 9641309.947 7461494.571 11199138.04 8889787.582 7970813.238 8350319.871 8380020.086 9600411.714 7606850.357 9890859.425 8379691.902 10750438.48 7007791.04 6617264.873 7861250.594 9236811.575 5367487.482 7230651.659 7537848.112 6373179.097 7578554.861 9319342.697 10131906.07 (.+/-.)-1-Amino-2-propanol 21530817.08 1333007.497 7354247.315 13287221.25 12453110.88 23294269.31 45927953.06 19985629.21 32621197.67 103149012.2 11472216.22 9401397.734 8181533.452 11388399.64 22225181.7 6636250.951 21952850.02 10311975.58 12673906.38 33031324.97 23719995.3 59758367.25 10966712.58 9514149.751 23887169.15 30516943.02 5591009.193 19327050.33 71611814.41 40246846.28 8506796.931 774675.1482 12377385.6 5498444.506 48878706.39 16269034.46 34192589.62 7224038.339 13371556.83 24838564.5 14288283.11 43470078.14 25829473.35 14547323.83 64472052.26 35409365.27 17074407.4 326537996.6 9307967.488 25257496.04 10715308.77 10117477.97 8004084.126 7105326.388 5054093.533 10630592.47 74080187.85 11232320.42 6844968.047 5392280.087 1772069.525 44392990.46 3024474.969 4005793.356 9055801.969 3625245.521 3917928.498 1187606.837 3625231.464 146033576.7 715219.5906 511991.4606 4258009.424 1431925.402 4492348.222 3632988.633 57424368.33 34915946.22 9010517.765 13891955.86 5454631.812 59272526.29 26478442.5 16463729.47 75945717.33 110291982.6 158851308.1 26544496.3 46303673.63 35854692.77 2922787.76 3980785.589 31832557.38 16758768.86 47867930.96 1257603.056 39256042.9 16449356.26 24444224.72 4433378.879 9877322.322 1735833.699 25796227.27 26377298.31 22619159.2 3542683.07 21752813.28 24013890.99 12148343.8 21911298.25 4316383.988 180152512.6 15822450.32 9566078.527 4444203.41 9347247.867 6125809.399 52940423.33 7037012.44 33305492.45 6330175.96 22700060.48 24577386.78 14810272.06 100916434.8 3160104.678 4768670.102 8571226.651 14091454.9 1274930.595 24099130.06 23125997.88 22307824.45 18350254.82 24018161.82 7420616.109 36744771.82 15915331.82 9319041.257 51486441.82 29608855.07 24342144.27 9478154.607 29285690.31 17723305.81 3910372.915 2013260.756 12492182.45 13279138.34 23145309.81 6350625.5 6871201.146 10580506.07 24262722.1 15449504.19 2131022.025 11963360.01 17709729.18 30269964.81 32813305.62 9520688.381 29550379.92 25355995.74 34066548.64 15022020.54 12491036.68 21389362.18 22377014.02 12536357.62 23430667.38 6759713.675 21725752.53 10704901.63 6240505.385 4827823.894 11349884.31 57048316.95 4557835.273 9670770.99 12704246.76 7191550.291 19197883.3 9902871.835 123771580.3 11052755.74 10566508.07 40860816.44 23918372.37 7999738.853 23996011.02 9450862.047 17496205.84 20153048.23 3042736.955 14977815.15 16825261.07 78245548.06 9883114.865 8941398.893 10576756.34 8857456.363 73000592.17 119679501.7 11688843.35 8332222.911 2993832.789 9226489.562 7172649.984 4069535.098 25515804.76 12508780.13 2279840.442 74995992.03 26663045.63 37340052.61 6203596.905 30618859.3 6313904.423 6072924.092 7784439.327 10559514.18 17932307.61 6982897.756 7664955.353 11460852.92 20619495.73 20976129.82 132492401 24390557.06 15973246.79 4118094.939 13978990.05 12663652.01 5961043.506 12669562.32 2963068.032 8144511.515 5052930.055 15446904.75 52692908.45 11847887.87 33665983.79 13115894.33 9527010.448 3465926.397 1795745.384 7916435.614 6042319.702 21564943.5 45315182.6 1142833.345 1513754.234 11564025.72 4812887.836 4242715.192 22075932.73 93566534.37 12531968.64 16033116.12 38773070.52 5791640.133 4522959.29 17638388.16 16053254.59 9247085.049 4619685.322 52770998.21 11219383.96 18172018.59 10349283.87 32704488.47 36786579.57 42029912.59 35596591.11 91432835.08 5900857.932 13022074.48 28296868 35267979.21 35622199.56 9447334.517 2183997.907 26942432.1 7397630.762 72127233.18 (2-butyl-1H-imidazol-4-yl)methanol 27501395.1 34617938.04 32746751.46 28225024.35 13325758.17 26233836.74 33083159.24 24377630.09 35224581.35 38724478.02 26731998.88 32852819.77 32846479.34 35014463.26 35003208.73 40431032.08 42019719.7 32315496.46 28877898.04 24049797.74 26527221.02 41018893.43 30060005.04 32880676.65 37023052.75 37092893.73 32158807.68 20935862.24 34310956.52 22252069.98 27923254.35 26119995.52 29362261.29 23324408.32 25021656.26 26030161.8 38311551.53 14884966.5 26842198.04 16921308.42 28055289.56 25033470.42 31893759.37 19792216.55 21062825.14 17792480.56 16377448.22 16224606.26 24623090.69 25837017.82 18628810.22 26976869.61 27151681.64 31126905.31 24725489 14428797.74 18146481.67 19032105.39 14977926.73 17321988.73 12705766.85 19565372.88 19210911.44 22751441.06 21341091.54 15934517.43 15565323.85 15329856.79 20896493.41 28431945.23 17231779.31 12089888.9 24775701.02 7811902.639 8085563.485 22080053.96 21722765.56 7562705.783 15541083.06 21202112.97 16195690.42 14756090.7 11197797.07 15937382.51 16925146.06 16920311.12 41745947.46 18332587.7 15879299.31 5140941.02 16004765.22 26165201.86 15924643.8 5978906.69 7552722.811 14847615.4 30894566.51 15588324.78 19074826.96 3607964.24 16762733.88 15851634.36 19045240.68 14478476.65 4226388.62 18987291.46 28915835.26 5654116.787 5405445.246 20204175.58 34615183.47 23593342.95 19519020.71 22695512.01 35239148.35 25490714.2 21562417.16 19982298.22 34439230.02 24988151.25 33267095.31 37772437.79 14130079.75 33221808.74 26804507.35 38659237.12 38869110.21 22676946.77 20692522.55 40899664.84 15634114.33 15743712.86 19894227.83 13558597.04 12850277.06 16926535.14 16270150.44 21652257.89 23073425.39 7670082.979 13900802.19 22063520.92 7249153.817 24112016.55 19638476.77 12433858.68 23844008.49 13918230.79 20072341.83 15899935.65 21970671.95 18888319.63 26707351.31 27021129.9 22618008.25 21260029.33 23324346.87 10464879.62 27043968.02 15299041.19 8310141.514 30356637.76 24997082.75 13646182.14 21513565.24 30800321.67 20099970.33 22072571.72 33854183.98 18771269.58 20008086.3 15237950.7 23314156.11 10985995.28 25521812.99 11547460.02 22582710.99 12909723.82 20538434.5 8030624.104 15112866.11 17323228.86 26889920.62 20455343.93 17881501.14 33526044.8 18545879.08 23305360.28 16114099.08 34807291.92 8220632.096 13791513.74 7959284.825 6551931.021 7593435.909 23921383.22 16985653.16 16870232.59 10413014.27 31275034.37 19273365.37 44779771.56 23085484.76 21023276.67 22220846.39 19631698.18 31859946.81 14942087.87 12961224.6 27723435.57 16325686.73 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14505367.46 17903736.86 15453957.62 17005995.23 16024179.76 15415750.97 9459228.091 22734051.91 12908050.67 14140443.47 26582067.42 11064215.73 11440200.03 17449884.8 15930057.99 23240546.71 16295754.55 24009152.71 15864554.54 14907979.1 16572546.65 15180289.39 19153263.35 20666958.62 11702620.44 14833916.83 7347127.464 23762560.74 21173136.08 18306134.3 22842652.55 20765592.42 20118138.08 16795161.6 26462248.09 20426576.1 17008231.04 18396868.94 17481705.79 28852323.54 22449472.3 24449278.96 18796735.95 15188715.44 14846288.11 20917135.01 10161258.6 17155557.04 16960246.08 19668272.65 24854864.39 22935253.88 31919582.17 17780091.79 21823672.45 18606543.61 11139318.97 16356673.08 26425128.12 19063325.14 18129444.91 18582926.59 19826343.98 21777057.64 18141730.45 22738912.66 12556141.12 17607488.46 16265527.68 20151499.46 21838915.81 22756045.16 24362551.74 18508836.9 19746581.27 19040076 21167695.93 19756694.13 28171765.57 15825121.14 24252719.24 13257466.82 14551601.6 15741826.76 23152870.01 15830616.23 13129104.37 17278510.55 20583129.58 24489036.33 19422717.22 16615747.54 17917383.7 25587075.99 17550847.44 18223629.17 11240299.5 12318687.28 26924804.34 19440026.66 18837379.7 15721252.6 19920161.35 24898137.24 21943765.13 20909165.62 17993203.83 18465131.01 21563533.71 20532409.2 19132802.3 14926853.69 15667016.98 12959726.46 26529115.6 14998683.23 12094254.81 19792234.45 14070465.49 20003230.17 17528511.58 13072681.34 17805841.18 23938309.96 90679889.87 18759852.84 17878173.46 16678296.88 25175451.23 19210331.15 21270637.19 13606483.68 28803393.26 14287850.95 11005697.04 10387311.07 13242517.52 14306060 13936775.75 13568013.71 13333464.33 15661874.78 12994643.91 24071700.41 14925032.3 19619161.36 11076831.08 15763878.94 19108991.41 21394901.12 16138794.63 11457582.96 14787291.71 32044264.98 21373891.88 17760658.14 11891293.62 13852282.25 23639739.86 14004407.1 19862205.3 20794487.17 35064026.18 23440324.44 18718767.62 22547042.38 12535429.41 21817505.63 17292160.87 19049763.34 15909752.02 24460632.56 29424953.44 17025063.21 22015438.57 15823620.08 11903492.45 14825708.53 33495232.51 17504628.83 20356706.64 18165944.26 22145363.26 21395212.49 13427571.12 15914025.05 7347407.068 13028950.65 19911381.15 22448080.85 18703405.81 19360494.86 22714410.46 19717755.3 25479648.64 18426700.65 17067337.61 13663551.16 19813605.17 19630581.55 13802838.19 12467917.7 11914343.32 18507512.01 16754956.08 19074622.38 18544681.65 18063639.6 4-Hydroxybenzaldehyde 58849389.74 50252813.01 113468086 63447157.5 12951680.78 46372426.76 70274619.68 57421560.14 42892160.04 46925025.37 101131562.4 50576273.89 44471647.1 42047834.02 22013186.9 90838434.08 57396647.01 54712911.91 60001497.25 68194081.38 49707050.39 61740963.28 36835723.92 47191960.76 40233838.12 50306026.66 69705507.78 50111206.16 89759285.76 69539476.76 79317057.76 43584261.18 75414789.75 44277569.43 25677404.75 42924491.72 63443724.93 63570522.09 57591223.97 37031025.1 68895810.36 52097432.4 46116798.77 64654444.92 108841918.7 103357914.3 60250495.65 72787574.54 41048210.21 22423878.34 53113366.06 56631439.67 31475669.5 31358470.11 24190278.22 59591920.03 47012506.45 46490152.96 36234569.74 17013345.51 42329484.37 58074993.74 104472115.7 40121981.47 36780964.63 85596396.38 70700298.56 49330848.2 65549174.31 108266173.5 92165283.79 75630637.49 69003095.58 74096997.06 40323153.97 43413494.54 37729773.59 45925759.39 51425068.22 21206845.75 42600642.13 42016339.53 63003734.54 35443100.64 49278823.41 40611583.98 35044074 48287871.04 28237288.2 14688887.39 62107627.62 67248459.67 49940936.48 55300902.86 36332818.41 41861329.42 65347600.65 13123277.06 39156425.64 72260911.58 87050126.03 17256627.95 55566510.07 22467612.69 29090637.3 70689922.2 91814591.19 43593609.48 88057084.84 13736498.92 44681225.04 51969693.86 57936976.55 56220884.51 38308764.72 109962005.6 73150364.97 67289629.53 97147160.87 38172848.15 28311325.21 60113482.66 26744758.98 30147447.7 15810349.22 51635145.59 70816193.62 126627787.4 106838934.8 59442962.35 134465583.5 84517596.34 59213430.37 33847127.08 20449114.45 68966698.94 82656707.24 56238787.76 68159551.16 30203279.54 59148072.99 44834693.9 80551899.77 52968203.54 12173539.74 64209891.01 21166216.37 68647965.69 36129758.17 85566698.17 57827176.09 30628234.55 87674617.3 47680064.42 19962266.63 44219004.57 101776940.1 50345060.4 53949180.58 48621354.31 44504805.76 29702368.98 28812885.02 57931627.68 38396753.72 58893863.04 105426319.6 40375797.66 48504245.66 31639277.24 64717456.66 66155191.9 70553619.76 39169465.83 8404150.942 73453973.73 159484534 27674828.88 25075194.54 15290080.19 53138366.92 56121882.44 27744921.19 90051231.63 62952560.57 88432774.66 82629182.62 53987504.13 28004324 33424644.87 41054322.88 53937338.27 146098864.4 66774555.77 28102819.57 52935096.47 96362404.4 42567369.18 43508924.35 52237496.53 47764758.99 264875983.1 74233439.45 30203047.19 24771355.97 48227046.02 28463029.29 25793937.12 31375517.2 36707576.48 30417771.67 29391798.1 33691745.36 54233749.87 48980268.69 33441321.89 25217949.51 31527573.31 34667919.39 29234974.48 46046849.53 32236793.06 32880584.02 24281993.31 24936370.93 42595253.42 54559393.94 30534779.61 28110304.46 27478912.54 54115937.18 33252859.75 39393178.83 32861662.07 18303877.68 59330708.98 33510712.3 64248987.23 56913759.22 43275482.36 59348218.7 62202421.64 66782086.7 66755664.61 23569299.4 63163886.69 53317661.94 47287960.13 102689656.1 53472483.31 57067527.36 53309132.24 38749644.85 39522101.94 25376686.22 57456338.22 64702002.12 43549157.75 28909002.56 46699572.04 56099450.06 18396458.37 35547791.2 25194918.55 9669672.654 54093072.81 42100033.74 61840576.55 59160048.34 32395283.14 63412457.86 165264666.2 31867801.05 44302309.12 24536042.35 55351118.04 42316747.94 30353040.64 64004210.42 7292032.175 54124450.74 20112135.94 36896622.81 35344356.18 14404173.39 4-Indolecarbaldehyde 32083854.38 28845861.56 70411464.49 67871759.58 9478356.645 44963137.17 34650058.77 46157668.3 39607170.46 30553876.01 67603619.79 33479636.38 35397358.96 67690411.78 16169464.2 42403752.67 36878323.29 26990412.75 32526589.54 47072237.82 34914190.3 29936149.71 30438230.83 37470201.59 27612272.18 48099120.93 31204454.9 37253756.35 105299269 75505461.1 63232208.88 34627700.39 37197286.89 29691301.96 13771895.8 40036045.26 42011518.69 39125887.52 55408040.3 25003563.5 46563328.56 22191764.39 26907346.67 52912409.06 41191804.09 55706880.04 38539951.06 40795334.55 29452191.83 20798851.23 45625622.84 40101544.11 18387594.17 23698842.34 20798686.93 44244335.94 31815119.78 13245418.83 30154022.86 6773966.435 20983291.7 38354722.85 56260467.15 28038392.16 16055857.05 63662053.63 58285997.28 36102088.53 54565799.65 117262289.1 50273750.13 55619410.29 59935613.28 71113670.47 37868331.81 34585371.68 20124142.2 29784973.41 32848028.69 22929842.48 21800965.99 22358683.77 30200118.76 27846597.44 29019999 26529784.65 30461076.23 28742579.15 23318322.61 17897265.25 12490304.33 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49480650.03 38704839.5 37378385.84 76826988.65 16723260.98 55726519.31 28448214.49 78082761.54 70713077.27 27670110.66 28015352.45 23410272.86 23004924.95 34732912.25 10844872.89 66703218.74 38510013.81 55699519.44 42425050.35 20054026.39 50701466.51 38756036 23174344.42 51053166.91 25710470.78 25873791.83 387208200.5 21499493.59 9842140.74 13304173.02 27711745.53 21073558.31 27758805.93 33462264.13 28754165.82 33093862.49 29936470.26 19036213.57 40669297.98 27541156.29 23314563.32 17421440.62 30703416.77 30629481.23 29250618.95 38538627.73 27760472.81 10264554.64 19688354.26 13310710.61 29917516.5 28294278.02 19332097.54 24480330.61 13424718.12 44793391.69 25616380.67 35735074.82 22787200.92 9149475.083 73629470.82 35117983.78 50902229.08 68047726.33 49155388.36 20424049.81 30878307.5 34096379.16 36586044.09 23829066.82 18139575.04 38298350.05 41773817.16 141259704 43249442.39 54531565.57 36303244.08 22818826.9 25185651.59 14099370.68 34943978.59 34856299.32 23533919.86 10043604.97 26632569.48 33754415.42 14334915.66 20447444.23 23100750.39 3689784.614 39656664.35 25293193.13 28118967.68 39450740.81 9535452.273 22696616.86 73091033.15 29390143.36 37856462.83 12939649.54 23919551.74 22715299.74 21938452.58 34680188.05 3486496.501 51487404.75 12938577.49 30431658 41031790.71 13575467.85 5-guanidino-2-oxopentanoic acid 19717999.4 15069476.79 28128495.15 14718614.93 8912311.532 13047898.34 34571915.88 29300426.41 17408663.79 26437400.15 13423989.77 15817572.24 12862774.61 13130110.68 17961595.1 15982424.28 18256748.59 17430386.23 7954587.077 16845735.72 17806516.28 28010152.1 32313460.32 25033033.09 23390529.65 11882717.91 26051995.05 13696589.99 17299305.29 5757920.306 12531636.6 11168721.35 12309191.89 10180649.17 13277359.9 17787587.86 38463167.28 12461982.98 18437759.51 27664332.27 29867974.14 14345138.61 15823986.86 12059337.61 41460760.98 12250211.48 25363428.54 93296212.93 15092986 33755918.47 28735852.44 21583673.5 34181483.68 10572015.69 38772866.36 22790121.87 22611114.22 28112601.56 14258704.01 25468527.41 9715230.786 21912361.49 31072279.4 24461310.38 24000371.14 23436327.92 28658882.43 12748444.64 15226725.54 162119609.4 14186981.96 22426679.18 17259102.21 18063834.33 29175877.93 22601579.03 29906700.52 18317715.08 18331906.93 32771322.8 16810660.43 24147033.81 16426134.76 11455683.66 19053267.5 11078389.25 21165903.78 21276823.02 11571378.05 14962320.51 15953926.03 32721023.29 22234369.3 18914574 21715367.35 27071589.17 37161250.41 31264782.44 19266127.12 32144499.65 15125444.81 10029591.31 18385509.71 7930536.594 19673310.89 14492247.18 40698170.83 14164446.27 17230105.35 29766756.21 13421033.04 33184368.89 22815666.8 22381755.46 36017209.98 16310363.01 25398137.38 13613556.05 22307129.68 27740974.72 11303577.25 29204076.17 21728225.55 16619722.7 23653500.48 23193726.59 32615248.73 34878351.81 30280882.64 36073214.68 17171455.79 24146891.38 12868904.41 10993480.89 24487755.05 12444193.89 11959359.81 15949014.52 20296005.22 9643197.886 14381324.58 21358290.82 24487322.92 19559688.43 16775806.1 20988887.12 15622007.9 79503708.57 86508494.71 31131247.48 9346488.843 15507093.37 15079324.12 16913468.17 34809527.84 15766124.49 18395248.38 17085313.09 18920773.34 14635411.89 7119501.845 14001974.36 10190797.63 9238489.67 11837475.87 13800215.27 49734272.43 10741842.77 16027475.22 18204120.88 18120403.44 15219970.76 10061946.69 13273516.47 7599529.843 16512584.17 32564554.15 14770728.94 7733872.254 21994556.38 15982637.16 23328608.25 12275876.31 16042986.54 16439251.03 24046551.04 73454293.71 25650142.49 9211710.742 34729962.06 20296641.89 26684959.13 34767182.87 35396085.78 37426475.87 21539113.37 35267045.31 15347947 18069203.76 28854647.95 23724332.28 153456115.2 21031424.3 14419758.71 35105055.13 21341114.72 25473876.39 19703274.58 16976928.49 50905497.1 14769133.27 17049474.01 14685420.02 15153948.54 22330662.95 10423762.16 10384639.42 10908084.61 11110428.76 18521414.56 15162794.9 15462841.63 16308403.8 14228252.99 25998673.54 13582519.21 18991742.54 14446954.82 19471270.35 23546215.35 13260997.56 14743147.03 13918564.66 21092809.23 21365610.75 18729539.48 12956344.73 20890856.81 16929567.03 48896271.36 15704398.42 28740545.71 19580386.86 18651391.8 21969873.82 15851016.74 23066146.84 15179446.76 36051513.08 107103330.5 17105806.19 20639515.57 16588087 15450143.97 21608156.17 24442686.48 37298742.51 20877968.38 15304482.55 20567702.39 17323688.2 21824896.02 19249771.27 13932976.61 21552885.07 21460477.34 25078605.76 18416575.19 18704558.47 22003230.4 21883909.21 48901772.03 21894523.57 27753030.95 20124120.22 21964887.28 31238566.6 20488194.41 20377767.18 29241692.62 16925733.7 21852495.01 23521923.49 17094652.25 29540665.92 5-Nitro-o-toluidine 401511459.4 307574320.7 618571180.2 1604060813 407848167.4 552031095.2 1640281753 751296333.8 1111668232 1294476231 80764325.51 1181098060 180012775.1 955307617.7 1006844263 386413242.8 1409175084 127594956.6 548243880.3 832473583.5 418474891.1 1313063557 714410243.3 560927725.8 972390460.7 348321439.5 1138904867 418049144.7 1111954378 766064979.5 582482046.5 2421692415 698926082.2 1171853839 1733206031 257801023.5 521847774.6 224531580.2 1902763708 1193870000 501392437.1 517384993.3 601836141.2 1720976184 995859540.9 335660307 1250174663 812334610 1135257016 599321469.6 306810157.1 2029272886 1396318271 1428527209 1059365890 711381382 1174815221 436021546.5 743911186.4 1140869859 243759834.5 1239560020 593350314.9 1335635959 600822982.7 534410864.1 1277991848 326540532.1 1121439993 2595295859 475113625.2 893898232.7 374408776.5 1185881742 1027026572 113659421.2 2032955836 339731996.7 1779990644 2859372174 291398787.8 988609677 571764082.6 570550205.7 946382086.5 102329762.5 1996734952 488034838.2 491895260.5 556574484.6 225208647.5 644688891.3 359080622.5 580674894.2 725932515.1 334486556.9 683954932.6 445069344.3 369393453.2 949413365.8 390624233.7 776336653 243445873.7 1084440436 737682180.4 428122092.4 1545230832 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382359169.6 427353644.7 334742558.4 592939809.2 456326961.3 229314401.6 635723759.1 503114507 233985954.6 116574337 344148947.7 865113127.8 431746731.3 103811729.5 281697321.5 372339804.2 227693103.3 229172484.7 409103579.8 550200227.2 492702010.1 709579648.1 405643975.5 419322412 993494834.5 455635946.5 999752697.9 552316431.9 800978449.1 143322840.3 373465521.7 252102867.1 462506344 664418000 981283843.7 543287154.2 729618631.7 337165283.7 278926857.9 399315965.1 369342380.1 389767986.2 281409554.4 629384819.3 822331504.8 153393127.7 253503717.4 378048591.1 282867099.2 209301251 226161268.7 207055929.1 194022691.1 316843753.7 219590380.6 484629796.1 482114807.5 548335115.8 486885969.6 342900233.4 540821153.8 424516440 488863076.1 1027508239 224723326 283549218.1 349161533.8 282589322.6 292099715.8 273435113.7 475290124.5 339654037.2 259017149.8 278905355.9 234499297.1 354643208.9 310257477.3 413900325.2 363914513.8 291935740.9 544327779.2 776923101.5 247902544.3 554613870.3 485488184.5 634980900.3 594160804.5 248474915 258412400.4 293306771.2 357214590.9 346748313.4 344332135.9 458614399.7 436120058.9 635804180.6 749343834.9 527191189.3 357200360.1 279886509 426907266.5 321603842.9 272347962.8 267080787.3 142443718 142402883.4 290936173.3 81305647.92 207962989.2 145864591.4 170657626.5 125975167.1 108441593.8 508554031 458294598.7 378187824.1 413538347.3 343266721.9 468032443.1 490622334.6 384065224.5 246386404.2 327344278 521926501.9 424474363.1 691199645.8 612293112.8 489297628.2 263922210.4 11300894.42 282494559.1 361719958.5 270476514.4 423215686.7 329508088.6 333376079.5 258651637.7 132496772.3 513757932.3 523225700.5 392011483.5 376380134.5 357126145.9 598934754 196578214 283796664.9 282928360.1 296848316.2 384156134.8 253791324.1 357380337.8 392421889.4 309661414.4 514282339.9 483773680.5 351439524.3 778141334.1 282862694.1 223537066.9 199225790 182319672.8 487960864 343081906 182949088.2 139081488 160898397.9 208557403.6 228255486.6 239500938.2 179535670.1 310256251.8 212919560.9 282223907.2 480646533.2 386702090.7 323569121.9 158190664.6 150098992.8 369720249.7 461051236 393461999.4 401811419.5 315840171.4 443647534.6 245843913.3 311783074.6 325858451.3 245326117.9 440518533 292304977.3 391661293.1 327910894 363657157.8 423467999.8 384073397.7 359783934.4 350967190.8 344033236 499683291.5 499181527.5 522889545.4 826793516.3 399005609.4 366648932.5 683625548.1 505971463.9 366023726.2 377314663.4 410705321.7 335953893.2 672069252.2 446928346 491325187.8 Acetylarginine 21781648.64 3728411.665 12868525.84 12886676.58 9836634.364 17196545.21 16261983.97 22840182.04 24851284.04 24119716.96 20013403.62 23193481.19 22492283.91 21451310.69 28752711.16 19541249.89 20563955.68 21055959.45 23073983.8 6303056.117 17699810.05 19404594.51 7956722.977 21779306.85 25280761.64 13099913.39 9965929.815 11286389.44 12946308.03 11736118.56 15864624.39 13775729.08 12865108.6 13445031.19 17211186.89 31338204.96 47200760.41 32843304.93 38211501.95 33559472.86 20392257.06 17522065.71 21100881.21 22609810.31 29271846.54 23308821.43 21447931.24 20548250.95 20068522.54 45280116.47 22474476.45 24159737.42 26437462.82 33121124.4 37131196.93 16781787.65 22509791.62 17799493.96 15516661.35 21326996.71 5877335.807 19122283.95 17451762.42 17521956.99 14555443.49 23523173.18 25931089.82 18910050.05 22967038.22 92603188.63 22076452.6 22880820.94 26029412.16 26321934.98 31260175.5 20641952.87 22352619.56 7240872.051 28415344.01 39597305.2 10009832.29 18359738.67 19289943.54 21431159.43 20427653.37 8160558.298 11598919.2 8823298.054 13586257.11 16272404.3 21531831.03 22893941.92 25611811.92 22106146.69 37282778.1 14752005.52 21831682.67 25934476.74 22798039.04 13688778.54 21362323.07 15062927.11 20682435.15 16084957.66 21017097.38 9260834.981 18877169.99 16090669.3 22779993.49 21413706.4 11861249.14 8824800.702 15782940.81 15058055.6 13185855 21549319.8 21140726.36 19351129.95 23016182.86 10674845.24 14778304.91 14817240.72 18251950.29 14285418.23 18794656.11 15457671.98 12327615.12 22522958.52 23122091.4 35474157.08 18867109.5 16671261.09 25478445.56 21091976.27 27048322.45 21082064.55 10011615.17 14128846.56 17971161.61 17587229 15661756.7 16584633.72 22375126.83 20648444.33 20735234.77 13396262.21 15558343.82 23382283.47 21719202.95 24656242.84 21634337.33 19439077.22 28353007.68 30447389.54 42148088.27 23891075.91 16389724.99 19562919.87 19081379.02 14050156.41 12954254.48 18511630.95 23922073.64 22041634.5 21085269.78 19991211.11 24922060.77 23325564.53 29047623.72 29772118.57 13972572.88 12436536.64 18603916.75 15545951.85 17459862.24 13579238.99 9066147.504 12360488.4 18233795.68 17943525.34 15673658.48 12869960.72 19421796.28 23406847.78 11847093.53 15432386.63 18968109.32 18589628.02 17915323.01 22542466.65 19787926.67 21194580.51 26062292.93 23467845.02 39052720.93 14306735.41 14358553.98 19262427.43 26174833.52 19537265.41 11959291.92 73681528.66 15945184.45 16478160.91 20074487.95 14011162.11 16108911.34 15255249.98 12989059.68 34523800.61 21996544.6 15064840.4 21709556.15 21205086.05 19912075.78 29053799.07 10910291.38 16945510.64 13521725.29 18396336.41 12809739.34 13626282.33 13543033.01 19539438.63 19139105.61 19423517.04 20469352.62 16350359.1 20811598.07 18065255.56 7588512.677 7488514.267 7665763.255 15807807 18232301.04 7981586.188 7056129.939 9527412.074 9188682.246 19168665.87 11405375.72 18227253.8 15102921.47 11044848.27 13796023.37 19134651.61 17216632.61 19786215.52 46576670.46 93233498.27 19367264.87 22585755.41 26857095.25 22464547.58 24368396.77 13010835.73 13202461.45 15631256.95 15559417.5 17750104.38 17622381.68 16881000.62 23514799.03 22485515.54 27004085.17 14363483.39 18317436.01 18714111.27 20520631.31 24968810.06 11916114.43 15124427.04 16118374.68 19495476.2 16154327.23 17076717.36 32857092.11 15893152.52 18932242.95 20668408.05 13768104.75 16385993.19 21956010.47 25835660.29 25586938.55 acetylcarnitine 724122294.4 616668068.3 330318152.8 317180954.3 231644903.8 765368460.2 1081975456 756801371.4 472371308.9 865410764.9 703480194.3 501399485.3 537941053.9 475373173.8 909386502.4 412621775.2 422598024.1 307358503.9 256789316.3 342702375.9 491570095.4 546646269.1 342034296.9 469331503.5 296524692.1 783606494.2 432081418.8 829641526.2 10848653602 5992093235 599129233.9 544980949.8 489689173.3 248284172.1 1190877407 497894978.7 786433819.9 504045092.5 707979786.3 549026520.4 668609814.6 613667687.4 505533889.9 1367981442 697160415.4 382704868.3 498426432.8 303998527.5 356318786.3 1109067708 704854766.2 516122855.1 696306472.8 1401686332 295223937.2 359113019.2 419949247.6 330427890.7 129565704.6 336146559.4 80309958.19 229676297.6 225631459 144691801.6 144497857.2 184245852.2 205128875.5 202041660.5 229544290.3 6324856467 169765123.9 228654127.1 299090003.6 359281719.2 208712544.3 427875337.1 654182324.5 364078167.8 297578453.3 539852681.5 257529463.6 1033297774 329419348.4 271907431.8 552462493.7 667896616.7 1236356699 713356097.6 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7328986.773 7293425.776 11515774.27 8571671.227 7714729.024 5772856.949 7133063.753 6978338.595 8281575.777 6839436.826 9342442.331 8893207.4 8540281.298 7960216.698 9176369.969 9390962.872 11680892.99 9900891.277 10557599.32 9771000.233 9149284.329 6995182.772 10910490.46 10905172.52 11836218.02 9159908.278 7300420.56 6035325.333 7765610.353 4292721.638 9385375.193 6196630.687 10313649.86 7886996.719 7205175.199 8227392.343 7613600.498 7073260.304 6821758.808 5625121.201 7895585.095 8158243.685 8980590.662 5830461.64 8175472.343 6061039.335 4839991.815 5280630.011 3990339.577 6752889.694 5050523.419 5132673.925 4952142.762 6058617.475 6164246.684 5503837.408 5541365.333 7764443.493 6893270.569 7978105.89 3931287.037 4249259.304 7393382.321 6319847.399 9333445.216 8093906.6 5481167.637 6629786.947 8454079.685 21334015.44 5211140.024 2644985.743 10616036.49 1185994.444 2857594.608 6456306.037 5080620.197 8521287.733 3482631.848 19744257.67 3833352.868 4199419.254 9061477.527 8158353.046 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9870238.422 18431309.74 16970103.11 6193007.827 creatine 15022038132 16264052034 16591987905 17426703853 9369001030 13812687290 23444608190 16860675258 16929683878 19447914511 16361209049 18104605736 15955933286 18984164862 19105891672 18778044968 21087271660 12133781851 17961846157 16068560269 14727432867 22404560040 18746877256 18204338512 19004121509 18926250912 19730825224 14684790731 21280716024 18160918571 12654594205 18140659063 13359719743 13667130904 16194567291 14551092457 21971463899 14583600794 20235419915 18112213846 16405587255 17620012123 16884611197 17776190568 16238828212 15396240024 18716063608 15574067033 15503169769 20972508941 14650759183 16973651721 14998077080 17837974451 19641851447 19712377840 20694352567 21114790073 17371380373 21013370634 9397973457 25467150103 16819774551 22899125610 17025651463 20402156801 26161985807 16068875399 21139275515 26480850731 16347763496 19788795367 17894211952 20780633710 18411887864 10374000168 16131393450 10984854812 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6453994155 6389263971 5712098682 8203750997 5260090122 3430962732 2962583318 3668251590 6362697017 5453342688 4485276738 3986757451 3670816241 4760462074 7757135870 3056584620 3493148716 4267066523 3557920654 4191944285 5735979625 5202157062 4836287915 4554242936 5085724779 3969933842 4860028630 4880042558 4923303192 4748353789 5209591253 4353433811 5774595341 5393834970 5002434760 4945424254 4226785894 4965073912 5258484404 6282742999 6172198310 6293218611 6632303751 7887576502 8172334175 4811138116 5390883237 5370265673 7789722218 4881141417 5572570912 7001405935 6823474940 5091371270 5754303636 5252811712 4638287929 5245487319 5707660611 6609957730 Creatinine degenerate 153562045.2 176560542.8 166571393.6 165798357.3 102454982.8 150638483.1 222798768.7 186376129 185872498.4 217729092.9 161760063.1 200253635.3 173444636.1 198155987 204387254.6 193560911.1 221823569.1 136116525.8 164014806.3 175876003.7 161536417.3 241123385.4 202006266.7 189359841.5 206665455.7 182282218.1 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123577308.2 158547256.4 133450437 125001627.7 164115227 Cytarabine 60854292.29 30018735.82 35493739.68 41421094.53 17431087.81 43280753.6 60964105.9 54730504.26 63841601.96 49859714.46 124482720.1 71620553.1 72571352.17 70698617.8 79561560.7 45351086.75 52234632.41 52692809.44 44042081.05 49119347.21 63213310.96 58057932.63 49743592.98 54243561.54 59754106.18 49407993.79 49023604.84 47179183.85 47641449.61 44304025.05 64819955.38 58746069.72 55447955.38 63370976.08 53897281.84 62169606 113050669.7 67191454.29 132916438.8 95304053.7 48318354.62 51036315.18 56932865.68 40470527.73 48039686.61 44403340.42 53672848.05 61201046.24 72636827.79 56102515.31 39464747.11 64932498.74 49932350.59 59218234.74 50623757.26 42551763.24 42864043.29 44333820.22 57157001.53 51377973.64 19780719.85 62482823.66 37991041.25 41611343.45 39852758.21 40944934.22 61253528.66 54974116.26 69690594.15 28250652.99 38952513.61 35335532.06 49277462.42 59859520.68 46501410.38 60016736.19 46503171.37 50884928.31 70133936.38 39739555.12 29618085.4 30638311.74 17032569.12 55935263.97 33813073.06 27667448.27 42303290.74 36605743.23 36064882.07 29642898.03 36274851.03 33549371.08 33487857.45 54273201.39 35047490.84 54100064.18 40379795.44 32369614.95 56395951.17 28630760.02 32676181.56 39994271.55 43696917.39 56638849.43 39157711.27 37451802.75 48720011.35 56573005.95 53822337.86 53937648.24 26042863.02 41199495.22 28641418.32 38968141.63 41231609.46 81234354.52 85114883.22 28273770.21 32466563.47 45541416.48 61711840.96 29240672.22 36492768.79 43065942.41 45817080.34 32404726.54 49091291.85 59746374.72 63024079.07 59234270.68 144956093.5 50790890.32 54384038.27 51112757.14 66092236.7 63204973.23 53664334.44 77563994.32 75712858.63 45967489.49 40111314.87 36392997.07 51363819.26 91294155.15 31340034.84 61672077.76 36713313.35 56255085.29 34662059.83 71808258.07 30140397.3 27271454.13 49688908.54 100399960.2 40644118.41 39745052.58 60236880.11 54692008.42 93021483.73 33707539.46 21851861.75 34939677.06 31603664.54 58263462.79 52850652.3 39513114.3 94510546.92 50471613.51 121277370.5 69557784.54 28251175.86 46802593.63 39920007.77 73759588.01 21479395.77 88378721.75 47645111.13 30010226.19 36691273.73 32874714.15 78525562.93 109511002.1 25500624.62 76422603.35 65066656.04 50569968.08 70725421.98 66877115.32 52763638.52 63260706.09 65030642.28 83925549.23 59681476.15 50351441.62 53924117.65 53205317.21 46702914.28 39221716.72 43951199.63 58831346.51 60857407.84 1719443.507 57814912.56 57200059.38 58653406.47 56722515.69 71799999.02 66169748.74 78970857.13 65929247.94 40198832.04 46061833.37 53823854.5 47116947.66 50807491.07 48445562.81 44877732.05 59201674.36 38805185.92 63881547.88 49286801.12 54327540.98 48094563.44 58698133.85 57068715.18 39891876.18 60048056.96 63859053.06 64475031.03 47365722.74 44776019.02 49135500.62 64538341.66 103039727 65140498.08 44336323.75 34729074.26 36863356.89 64269005.07 57968978.67 35322978.38 45883100.36 42160337.39 48124593.7 42112600.57 102008980 52831233.39 42584300.52 42153051.92 58212764.14 63126553.35 112418257 90825941.35 76733173.29 70356910.89 66702605.16 42560230.07 30266036.14 49150658.44 40931116.68 39581740.26 47218946.14 43584232.55 44139164.52 40719216.03 38822160.22 59127004.77 52130698.88 67712842.04 57040920.06 46832428.74 53182230.3 47322364.88 63958038.57 45636484.8 44892272.63 53242629.28 61156609.44 36893656.22 46693446.3 62690377.78 66963731.35 49948854.21 58375664.07 48068469.83 CYTOSINE 71411404.66 29619775.78 44373926.72 45355574.74 17632845.63 51983047.39 75322784.11 70908915.59 79435998.56 61595823.14 154332524.5 68751372.2 79260572.78 97727663.9 91863065.81 55131279.56 68357361.62 63788428.05 46710200.35 61767544.48 78680444.54 65722888.9 68379284.42 73244076.44 70941383.72 47146707.8 63659938.46 58253638.51 56679761.78 51906983.73 84618177.97 67504320.89 50082682.56 56866541.01 60626717.94 77911460.49 136635657.3 84876276.36 176076475.6 126499903 62972636.22 63750415.26 53489888.36 57948901.01 63517341.19 58833261.8 69722248.25 81329713.93 91290767.22 59643688.57 48851563.64 83461458.56 63786496.42 77103332.18 58572571.21 45975687.49 49643247.17 54110329.94 44708601.33 45631712.53 23491424.9 65119386.95 49120068.66 44384498.43 47841832.48 51178873.15 66682207.39 51459022.84 93993474.17 39635409 51758999.35 46342993.69 53521651.57 88314567.78 59563518.32 60271193.14 49611567.83 55103603.18 76355494.48 44673731.07 33928022.26 33787831.85 21073309.28 63516054.03 38827544.19 32565005.13 47095398.73 41340863.15 41259137.72 32626494.67 39054463.99 40662679.38 35056133.93 57254542.03 24701136.21 56123522.19 44388632.1 32093988.89 59465803.31 32946109.66 35525602.28 44213041.43 49727760.11 60329427.42 41191630.98 40764085.07 53129557.87 57535266.92 56544700.11 55467857.51 31419610.04 42116158.72 34005929.69 40740040.91 44844071.67 86836707.09 84719373.65 31105165.3 37426396.88 49551693.22 59921716.59 32996781.77 39501149.38 45608829.85 51643095.4 39700739.58 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21724049.93 18314575.91 22026997.66 26163202.17 25948397.86 16223487.28 17362181.76 13649562.43 16010164.17 13310632.89 19078947.79 17029333.37 Enilconazole 163452363.1 230100853.8 134177398.9 52756144.65 99899211.55 192408327.9 101680557.4 191302856.8 201178642.5 201236071.5 78335998.02 176445494.7 224873068.1 215076205.6 233147942.7 231432276.6 182603952.4 208669150.7 59520758.82 166671215.5 155337762.6 285370922.6 247287637 222634505.2 226238966.2 70151329.64 203745041.6 231183302.5 245632114.5 223368520.3 175765381.6 193576357.1 175290601.6 39030775.99 179878295.7 158407165.2 249988482.4 144273972.6 148831397.4 193245470.7 75618586.78 189889945.5 56818126.61 127747923.2 244679339.8 205331162.2 246478953.6 215927077.1 195296784.4 260440139.4 178751476 180265888.1 172896765.9 191393586.7 218698761.2 301557545.3 290443245.8 354111357.1 279347110.7 187404138.8 119350468.7 203529703.7 276180802.9 136511065 306800628.3 66703844.55 79668008.4 188432430.8 210547654.5 191879769.5 53923125.47 246650353 216865340.3 211829886.3 197429057.5 71524790.21 90924332.37 81681249.73 14643596.19 94364056.52 109187581.5 147583576.9 102071995.1 99822636.51 48574911.91 95670340.63 83971609.92 40990333.09 90854852.46 96229242.77 92576683.15 145663878.5 34829294.95 37491684.03 58649112.89 120724920 149892508.6 132450028.3 131149913.4 48885987.59 7475153.769 85018078.14 116199396 86034749.6 21309439.52 46908431.23 205195221.7 28027566.68 48416002.93 131059123.5 96727739.56 20147027.64 48352594.16 13062856.01 143292341.1 87019137.78 30932421.29 150916450.9 121337122.6 129849177.5 76169270.27 161075522.9 100585503.2 88770074.21 83116198.8 77474066.92 186732086.5 115545827.9 116554653 11601047.26 92096083.08 111137571.5 96863605.21 57024410.13 94189685.85 13371656.22 103188414.5 95648548.87 65490025.9 47579792.66 58579924.31 99267016.61 70698610.63 125191139.4 67693481.15 73601288.05 56706398.01 62189970.55 44967193.98 51319733.72 43961802.91 58068393.73 23292606.5 48250348.55 89487488.96 54039486.84 94439559.03 103023608.2 129412305.2 85510553.57 40949896.65 82974014.27 50357137.1 87345327.67 113822605.9 74393524.98 251774421.6 71286277.62 37187006.5 129600826.6 50186703.39 82552975.71 81354868.62 86129208.66 35483111.02 57366882.41 167247269.1 47038117.08 45256728.11 117890000.5 61210039.8 172724427.6 56005656.96 140636065.3 138405909.2 64501281.32 28423621.12 110433951.1 61793769.22 164449291.6 100402217.1 79570338.96 163312343.7 136015419.3 82842757.69 139260167.5 76188251.84 48107099.3 98010613.52 116501120.3 108196717.2 7386950.99 100057388.6 51618678.45 104806755.8 89318352.19 119974295.8 55286498.31 90347861.77 51627542.01 47862392.62 62898081.46 95488198.32 52602335.74 102456874.3 71135209.48 31422382.78 100908221.9 98588520.2 96483874.75 51460148.74 95273693.43 23697261.74 57522607.89 106095534.5 76305918.63 133121517 120661424.1 94831861.4 118960339.2 42750444.31 67079263.72 95823557.73 104666744.2 112614724 75468261.71 79476960.34 80932860.36 52842561.27 114198736.3 54543161.88 106368292.7 74755175.32 91882787.04 23135459.02 71180446 78847892.53 68816935.14 61356926.11 100722226.2 83864783.28 82406916.85 51543412.34 73115868.66 94368592.94 28198943.19 109576044.3 114852873.9 93108218.55 118152671.4 70443490.01 82292698.72 84802760.05 88944724.97 97183158.35 64109443.04 109371287.9 85358393.49 87713082.71 68524842.5 97451782.78 129887785.3 107868182.9 32236199.67 109475829.9 106995251.3 90510203.94 108660434.4 27357035.5 103509833.5 81586715.31 100051566.7 76409593.98 79803248.84 96420705.32 epsilon-(gamma-Glutamyl)-lysine_peak1 9781289.37 8320167.654 4239771.901 3437840.706 657105.905 2182101.598 6573468.877 4506949.176 5149101.823 4820884.011 4843368.917 3218644.752 4107563.722 4250066.995 1371998.644 3458476.756 6895349.314 4744788.453 5245344.364 4106330.204 4268883.026 6267592.666 3802589.48 3934769.092 3801973.887 2307840.052 5383458.612 3792169.7 5756159.952 4345206.868 3677397.822 4049887.973 5122711.514 3052081.933 2491097.648 3623539.571 12631862.19 3492154.777 5558814.559 5020556.375 6179139.963 6007598.118 4906491.35 4991006.313 6651706.94 6317374.779 4343933.216 3775032.993 961644.9509 3698321.742 5311228.826 5607748.319 4527117.447 6005633.927 2996100.204 6019248.657 5882622.95 4227077.08 2243828.238 3997906.133 1239477.799 7049443.5 7187508.046 5223926.452 4484456.492 6973917.297 8195307.129 4330621.283 4062495.105 25479388.5 1979803.371 7496571.982 3642160.256 4321149.677 1164196.37 4138422.506 6556894.067 3073497.609 5122054.391 3363284.477 3134396.057 3647197.993 3489398.155 2697609.156 4287748.088 2313515.368 4784469.53 4393200.636 2931484.189 2050162.819 4567818.211 6811993.002 4702206.491 4652414.705 9194563.13 2412866.334 3689501.123 2778343.301 2921925.693 3912598.96 8174381.127 1933064.144 2569879.344 1507247.654 4127041.555 5683853.822 8958182.113 7286271.023 8021492.069 4894730.911 3178387.172 7103050.766 5212639.532 5939058.529 4047855.172 5992580.671 11931709.49 8800876.238 10349925.47 2999404.697 2401506.236 6296239.648 4733698.762 1912949.288 1585263.917 2575704.304 6945566.319 7274175.557 10345634.2 7021801.203 4709397.16 7913968.502 4880606.24 4162158.294 3174773.682 5770055.489 5787264.779 4089756.017 6376581.887 5176817.881 4861314.164 6098083.217 5561258.875 4093189.823 2234769.766 2470314.49 3383595.911 2394441.205 2398163.797 3270932.322 4941488.965 4576770.491 9241138.324 6943731.266 4207239.942 5321865.19 6676378.441 6417434.751 5119341.777 5420265.496 2300125.75 5857096.746 4233752.567 3174925.399 4521121.685 4405606.849 13548592.05 4623651.343 6513135.697 3803516.43 5833373.542 7259747.658 5479107.152 3518007.212 3005608.034 2849974.006 10663675.5 867894.7264 3248718.684 4627530.759 2670507.882 5163342.735 4875088.347 11471763.7 4885037.089 4398077.545 8746978.896 3946059.208 3235028.626 3617898.972 5063410.018 7423867.727 6986955.641 6502272.15 10915817.86 3247162.941 7049804.172 2142565.697 4056770.756 4026305.875 2777793.136 38344055.29 3244248.964 2781188.37 2525989.826 3176327.717 4211570.685 3870222.669 7576786.516 10721684.92 5203568.239 5041205.413 3997918.879 5163790.626 4435802.167 4299452.641 3941772.677 2670325.35 3593137.253 2705071.496 3155361.743 4211443.587 4251688.813 2866869.986 3270325.81 2479176.957 6058091.342 3987418.397 3261756.564 3446938.381 4617848.516 4522073.625 2545611.438 2922601.239 2630379.196 2385299.746 2358605.886 2847235.318 3501322.709 3719813.021 5184257.278 7253160.19 4244552.555 4992789.476 5980019.169 4083021.907 5073308.608 3182765.892 21387654.29 13047611.36 4417984.226 5950020.675 4195155.484 3758090.86 3226173.215 7947311.506 6291017.463 4409679.313 4457298.568 4842718.217 4291991.995 4298515.135 3612219.118 3191493.001 2682181.805 3625583.717 4772028.084 4285535.804 4322784.047 4591304.878 4137812.266 10308436.42 4436645.058 5930284.193 4442216.154 3506912.518 6164969.7 4195940.183 3839888.333 3301017.231 3185351.476 3547614.85 3418330.565 2996606.914 2847475.817 epsilon-(gamma-Glutamyl)-lysine_peak2 5301500.5 4797231.589 1650187.168 2031648.903 468078.6559 2195587.584 3620055.674 2254617.534 2449693.121 2102271.783 2414808.766 2304604.095 2066425.537 2347610.711 1457454.239 2471134.314 4190194.95 2955745.392 3370701.544 1765533.194 1757199.973 4038130.178 1901104.11 1569209.541 1244171.067 775612.4492 2750858.372 2414289.179 2417942.949 2289155.138 2533538.897 2820891.198 2961651.845 1824732.545 1309808.824 1913830.605 6407653.951 1780638.469 2744155.982 1354899.254 2715879.674 3014403.24 1918036.847 2240439.948 4119515.318 2525019.118 2121922.667 1965002.238 1331489.658 1942863.451 1918527.059 2706332.778 2250907.272 2867281.378 2195690.715 2807129.261 2887763.352 2337670.874 1832040.34 867275.2194 1454220.087 3549151.263 4125322.696 3067494.993 2073969.462 3535489.478 3872856.183 2852971.159 2042108.1 19233977.24 2509098.76 4635213.404 2671550.549 2340779.921 2007540.767 1884010.191 2554482.045 1354202.855 2320723.795 1503956.936 1780638.729 1878158.189 1755437.218 1099878.014 2387264.406 1331233.489 2480450.386 2154669.725 1696790.662 1144898.769 2230270.428 4027103.505 2363041.705 2205939.544 4477154.013 1325460.118 2082433.885 1447239.298 1865617.921 1903839.829 3729145.615 974201.3275 1544965.618 907364.0412 2111945.958 2803396.296 4173490.62 3788512.138 4327085.041 2715772.015 1785228.489 3133155.928 2750155.977 2554390.683 1699172.725 3009739.353 6061085.935 4581130.606 6060671.369 2060803.386 1089246.874 3177259.363 2512148.85 754060.1516 585212.1318 1073794.474 3198031.932 2604925.322 4640434.962 3308589.332 2547441.091 4022703.879 2740592.838 2101168.916 1551901.236 3036202.305 3905742.646 2720098.009 3559114.372 2447340.543 2557266.002 3170596.752 2853801.189 2230297.178 1132264.453 1507406.407 1422376.271 1343327.062 1186646.512 1728456.237 2737357.599 2289958.028 4531328.362 3355677.544 1936719.919 2673691.79 3475423.179 2833833.337 2925433.288 2958347.657 1264331.131 2325396.536 2173107.177 1983834.922 2628316.876 2008785.515 5759689.271 2069210.266 3001086.841 2007288.19 1998961.233 3444486.515 2667864.712 1763664.308 1330981.203 1303417.884 6179645.405 409624.9985 1528764.754 1920745.947 1276925.41 2882353.785 2543575.409 5437573.175 2494785.976 2083506.732 3857123.012 2284411.89 1312258.783 2189923.368 2247487.795 3282906.171 3229925.107 3531357.646 4722621.455 1424081.893 2974481.439 1151865.295 1846777.361 2405094.264 1708358.925 28986096.04 1650042.848 1472855.93 1455812.437 1880119.07 2263520.08 1688060.822 1378620.936 4787674.654 1953798.275 2225763.373 2093709.52 2576086.99 2575757.216 2069385.814 1808917.36 1338102.022 1750355.825 1363567.571 1234927.476 2169602.823 2135278.735 1391231.319 1569062.623 1289898.616 2954150.186 2178137.393 1780013.242 1898158.283 2473120.924 2437482.204 1508805.76 1550543.342 1349803.167 1096468.043 1196397.635 1750712.894 1899700.998 2513386.969 2634104.318 3923644.126 2152187.06 2384120.76 2923356.473 1974200.642 2634470.216 1431682.977 12054544.08 7877984.774 2218980.211 3617723.716 2340722.48 1812479.456 1900536.119 4319944.565 3102028.909 2424890.73 2023253.415 2310078.584 2191415.819 2345667.268 1836406.618 1450941.221 1379202.031 1636659.599 2546622.754 2344630.359 2657406.665 2162623.504 1951318.974 5673683.357 2080759.261 2981305.506 2603182.64 2145093.814 3514248.926 2303875.255 1725384.098 1608893.79 1526947.093 1852820.199 1949573.657 1590664.135 1615939.05 Ergothioneine 76329838.64 167957074.2 18795975.34 16807667.07 44243108.7 177741992 338337706.9 122666403.9 135776247.6 125664248.1 43472468.8 85485238.79 33751301.3 41350128.28 43732918.33 30629369.33 143591294.9 35440325.24 57793426.49 18613010 217305429.8 422106361.4 163715130 177490442.1 141102791.9 74107559.46 60122122.77 26116402.8 72075007.21 48388755.95 204833147.4 236410480.8 87501698.34 93844639.88 209883855.5 50199323.67 216165479.9 71847298.26 116722624.3 65752087.34 168989751.2 264310638.2 76220843.6 110795714.7 134148005.1 248233815.9 229223981.2 139329718.5 146163791 106705246.8 96649772.13 330211573 122702384.3 209170418.3 130118917.6 139165964.8 187912641 72888183.6 93619021.11 197249734.8 53850101.78 307757762.7 160862287.3 248687914.4 253880518 74570516 194028902.5 23045028.53 74451098.48 276206055.5 83337472.47 42397844.72 25834815.76 24313401.91 38570529.52 134101712.9 121538521.5 79988769.89 112042535.8 152329344.8 75836575.84 173110962.9 122940286.9 113354460.7 150620892.7 48785383.08 102255391.6 43550706.3 40222351.63 52547487.62 191655963 562514623.2 83278812.86 92169344.7 178772227 96463357.53 325893588.6 75637264.61 103159491.9 106435756.7 130998784.4 88033319.71 55186867.58 41064238.19 87559403.05 138373392.5 281150886.3 49167307.17 77178184.91 60566956.22 95115384.49 160573554.5 33441233.87 50640225.68 78530996.67 94295081.01 153427163.7 112732784.3 142341174.1 80788503.61 90398146.51 147500115 74095836.1 58401147.98 75305785.86 76337022.81 148444538.2 58333568.93 80627806.82 96779637.97 78664908.21 308542653.9 44486329.4 45351937.63 87544732.32 86409662.92 122803654.1 92028289.72 97355782.04 54961450.77 71873780.48 115326821.7 70127600.3 61156889.66 51041940.21 171842553.1 232398559.7 121015210.9 123646263.7 81802017.95 96722123.98 181260990.9 123101115 146401839.4 130790006.1 127554588.7 319392253.9 224594631.6 173825882.6 80335206.8 71595977.3 134176643.1 117488403.3 134206029.2 187679948.5 87654981.48 332553543.9 101952162.2 151038092 141905128.8 113141390.7 185979449.4 41135163.31 42669341.11 60546451.93 39940976.21 52758251.13 17609652.03 25289198.41 116485941.8 43019297.99 66804918.05 26269932.6 135994547.7 33537420.95 182675699.4 223420521.8 100588946.9 97362059.99 126557209.9 64436007.43 237422738.8 45084110.51 50527128.39 70185866.35 49435489.49 105001892.2 64201988.29 58251561.84 75990269.23 73355351.98 486948517.6 129926092.1 195044871 205993065 200995000.3 138360733.1 72919616.65 94370854.5 306958743.9 183507664.9 223783149 76487073.83 85428013.55 45006540.21 201084908.8 62098930.78 41167786.86 39491943.91 26647829.93 107392583.5 125130839.4 40370926.3 25732714.65 49113525.74 58293509.47 151406221.8 57451088.47 75161141 103761267.7 74868757.21 77414277.54 24665461.71 94813551.53 91734538.37 57990333.28 222390942.9 39826060.32 51837864.61 121380376.4 77550262.92 122111842.2 24616158.83 37964027.48 113504582.2 79315056.56 143195138.5 65710440.83 206478055 97052293.46 18855910.63 46482394.5 35911244.81 48681382.26 28404049.19 161772491 282749830.4 94415753.01 89928974.35 9166240.824 97310257.3 106910416.1 78879317.62 81658721.98 116483522.1 167499523.7 171941022.3 125829325.8 204669535.8 225449148.7 115778819 256777499.3 77988580.51 87052602.25 130553089.4 68624613.33 188851025.9 119945569.2 128163295.9 88730856.71 105334269.1 144250729 41076078.69 98052210.29 110236229.7 fructosylglycine 19939486.22 15412942.78 27346356.39 39112387.71 21048142.7 31912998.17 58944700.65 16910661.57 18442262.29 14245072.33 57667883.35 23747815.08 17008328.58 21126336.13 41943863.54 26224752.15 15042599.91 31591750.16 44911634.46 21758190.01 20847281.57 25588554.45 12600859.32 12168081.19 9693078.209 44877500.87 14809358.23 37940344.36 36640278.35 36593513.41 17345437.21 33196348.31 22402761.42 23638433.87 41214122.99 11902769.24 20463298.6 18482244.03 24752665.25 16083448.33 46872698.42 24383780.9 54595819.65 28087155.23 20057001.44 7903722.191 20485821.25 22565073.17 38324789.24 18687948.68 30687273.25 18645713.54 19852357.76 17224100.8 12859284.99 22089004.67 33488602.37 13732120.63 16447598.65 52299916.68 18776382.17 17125235.93 22538071 44208567.99 21715025.7 44066103.44 54154454.47 39082905.49 13679994.51 12799108.56 43156195.41 30679507.01 22260918.81 12993095.26 32986014.35 19329366.11 22365526.89 20664103.7 26104814.42 27455839.22 25001677.99 21727626.61 23274653.34 19662200.93 33052118.04 17241845.96 26599920.7 32842595.19 20609587.09 18872636.47 20709243.3 25469783.16 31524115.62 35074283.31 52553532.13 23223078.72 30656530.22 26442023.14 30051787.39 33686547.22 30889786.12 17375455.8 25544716.79 21733252.79 34321121.93 33933421.83 41504827.72 36558176.15 38215012.84 30657451 20060590.11 48538456.12 31252820.66 37454980.49 31447617.06 23141358.69 38824961.94 40669885 34931614.59 32652974.72 14789825.67 32657626.07 29233417.42 23759353.13 19459318.86 17046526.55 32056018.32 28983325.36 35956765.9 45817342.64 29751892.36 35123735.87 36803226.02 29130338.44 28996589.8 40431282.97 33922953.33 33812576.5 38287307.24 16505975.01 32222889.09 23950181.64 28548869.17 42959860.45 27641082.65 35279523.96 29258188.04 21051771.22 17546068.45 38184005 33356116.58 28357587.71 34506594.93 37422466.44 31863144.17 18026946.61 27986197.71 41662279.51 40300326.1 38128941.24 14987179.47 37354134.53 26004620.41 35240439.53 38803458.7 23430098.98 50700611.66 31862182.31 37583276.55 42787603.2 19309184.45 22889894.4 42536163.81 24194383.24 24553475.11 29908456.2 23069395.19 16237957.95 28690818.89 40696506.09 29517358.69 34987668.9 27533477.23 27845814.68 35238087.63 45644249.34 37352944.21 26888949.64 30832648.94 37847640.08 26576273.6 46689006.35 39524517.1 30287967.89 52738303.84 30531473.28 51960666.31 40774774.15 29670676.37 37396942.13 22709725.88 6426488.87 29188626.85 35032108.43 26468332.95 26527341.49 27859808.71 36763980.99 25449767.45 34748063.34 30778219.8 36625390.2 24573184.58 29431922.55 28078358.1 24249540.13 34595870.23 27991605.3 30524336.46 26771882.25 26881213.55 29520464.02 35024612.56 18551086.95 31759724.64 22871578.21 35717298.5 27431587.82 27336816.72 28687312.51 33992329.68 37857996.51 24562421.2 29566311.5 32059902.47 25191546.41 27510203.6 28526574.93 37240139.48 39348668.59 28604717.21 36250414.06 29913588.77 30393939.4 39689938.32 24622512.24 30438919.98 25796505.37 25762791.15 44088897.15 26741185.68 29289762.68 34901088.68 31049665.23 29204654.08 36978508.48 32368590.31 21204352.04 25268355.12 33590481.97 22533091.7 30139292.75 31074221.38 29856321.13 31205833.88 24561481.78 33078452.29 30511802.93 29317625.48 33322207.27 24140753.13 28581093.18 28683477.06 35491497.56 24702205.94 33730925.89 31828239.17 38638043.25 30880127.79 30471180.28 27508088.56 32113924.25 32693386.02 31786577.19 34105523.63 gamma-Glu-gln 738035492.9 575233144 626094029.2 518536803.6 184324118.7 372199846 840811085.5 487573854.3 415729190.2 415207012.9 899303697.6 601847812 443296174.8 536351959.6 470027584.3 588552102.7 706744074.7 567636514.6 638787742.6 561597786.3 439274860.9 581505756.2 564885316.5 507354775.7 470383547.9 652842195.5 673981597.4 597209746.2 392126461.8 481745784.2 732366740.5 519349547.5 652214239.9 542605401.2 320445928.9 333126771 593346325.5 513265904.1 610553060.3 406369199.5 538644696.2 518008264.3 434007109.5 471519844.3 933538976.5 462404492.5 440330694.9 472712270.9 242419439.4 384815825.6 664124155.6 672183747.4 500353252.6 369652570.6 655287250 554798077.9 575897046.3 580506644.9 574006770.4 495774790 387764836.8 565598726 1258614326 741474785.8 732652736.8 646203544.8 952374426.4 459185654.8 485162857.4 884157595.5 480376627.7 788770821.9 471955338.7 515734619.9 423863778.5 270827362.5 264079414.9 276006405.7 381217524.1 260433036.2 230414754.8 147807999.1 214644830.8 179691032.6 409810650 240909158.9 340172744.8 555418073.3 210271220.2 125114189 206588285.8 303473356.8 372795666.6 476547969.3 724242291.5 215801273.7 215866643.3 144997224.8 163757556.8 550758004.3 574327401 70324168.19 178041746.1 76844834.51 297721715.7 412020426.6 451084936.9 436925082.5 620651668.7 354873418 306433949.8 561527774.4 569408183.1 555775076.9 644713647.7 407499184.9 797588599 298599170.3 283905504 195943017.4 119336617.8 600003916.1 293472264.8 274815501.2 203307796.4 321149592 617355286.1 704793253.7 614326802.4 697875281.5 702636822.7 980828916.6 576369874.4 374567488.7 408444684.2 601446057.7 690199905 460851649.5 688510600.8 688817590.1 539051035.5 561845189.7 739627357.1 381054294.2 324363241.9 420625785.9 775825193.9 637898926.4 467192230.3 913863846.9 477240413.3 358256371.7 796836511.8 510534152 274820034.3 261806149.1 621903642.5 551292765.3 429885775.8 456333441.5 274693724.3 462458142.4 391785176.9 575476503.8 541717328.3 515606669.5 1245067188 462167078.6 611164964.9 505127261.3 305152324.8 531447683.2 516866621.7 382687892.5 346658199.9 450878161.5 1116969744 371746214.4 280669103 784220329.2 481756117.1 725084170.4 478891644.8 708792601.2 924862208.6 414332518.5 691643626.2 319105497.3 200217821 342528991.1 763831991.4 503065478.3 576302337.7 597355960.7 922300855.7 540427744.4 960346544.8 581165492 419452133 790246506.2 643626826.3 507216295.6 587387244.5 455048272.1 436767384.2 523857532.7 645482225.4 576152471.7 494541115.6 753082805.1 557232255.5 502937979.4 553732906.4 578931967.5 584079197.3 254126762.7 463439627.8 367494539.6 430388126.2 397563045.6 435244946.5 477621285.5 592997228.3 328158140.8 561554127.6 410602421.2 498395302.4 445953419.7 336105593.6 401684838.2 779957673.6 659610378.8 496757955.5 285152709 344612514.9 399893524 295833718.2 470633238.2 511706025.4 694923070.4 677156560.9 678000080.5 668474844.5 786613122.1 818267424.7 468296876.4 470009093.7 397733828.7 705437012.6 768231879.7 699651513.7 737502418.5 583337677.2 389437220.1 504508009.2 676990246.2 415224697 405714894.5 387643084.7 460113087.1 405812058.5 487860170 403406625.9 344916192.6 334946210.4 417848580.4 429192959.3 588090363.7 540560979.8 575659586.5 372902664.4 794763494.5 388517568.3 529351543.9 396394926.4 409487530.3 476172967.9 498539801.5 465038175.8 419545213.3 461867046.8 601732607.3 534883907.9 427518652.6 564544029.6 gamma-thiomethyl glutamate 9927853.798 10730490.2 11147873.07 15480730.05 5646925.829 11805012.24 17143836.52 14664520.83 13724622.37 8161954.32 14924476.44 22466491.68 8088038.993 19130761.79 14431861.99 9538187.169 11551842.04 18657706.27 26212631.3 8491459.346 9638590.531 8432937.005 9560783.465 14338319.93 8421754.77 12224386.72 9174110.859 4989336.746 4603448.08 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9883435.011 9292364.333 11905753.05 15080921.98 glutamine 16762252735 15664813665 16616217294 15345040465 8530252326 13172033240 17417081923 14062835984 13684822467 13455549023 19031355742 16334760155 13815039283 13623926510 13759489853 18078493595 16765759895 16712920372 16548435990 14911895896 15307048070 15835066612 15795108767 15435214084 16240269314 16010390346 13855933164 12423047935 10589437846 11651181074 15718343727 13484239902 13631104130 12182948970 10668389141 14578769459 17403409383 14147227043 17645171166 13085450035 17568801845 15648345425 14677996462 14101633939 18242607116 14993348674 13876140196 12853608196 9507456755 12252899545 14814596784 16127717069 14106293672 13339839751 15032622419 16330570840 15466921177 16309668629 14922968261 14962527804 10430015527 15491722222 21207393770 17653989829 18069190760 18867791947 20738349315 13975112210 15514459793 15783767905 16811208454 16210245056 14909324716 13335920090 12445436821 9259527659 11474022162 9125552945 14403245390 13829639024 7307506209 14000036439 14877304941 12542171417 14816965896 13647802464 12446534521 13665163700 12461760822 10620897701 15062533529 17359485504 14373099357 13549417578 19577325044 12639006832 15932659709 12967366791 13021538952 16224279354 17355578735 10822620478 12703445883 10400766453 13528847032 15191575746 18614269096 13249984341 16059920663 16830664632 16322664196 14428279210 15851264055 14380737196 15502080720 12746810691 18682682425 12969738909 13359105822 13142283749 11039698261 17011438319 13289460033 11819515668 7359768641 13209363238 6018170802 17790167582 15724699132 16233236424 17196322322 14891532240 15030130015 10210221938 14727695661 17927799546 16068556584 17056310738 16697424256 11381224631 11934589111 11717172395 17402027870 15137321557 8657461580 14230013752 8961952821 11677861152 8861849262 16615889925 12345550570 10053297126 18650579239 16609124553 10611491242 12404082709 16534519445 16865225759 20099541541 14217245703 9722275753 10627865349 8645681058 14901060665 14792575349 11989951353 21299873102 12232815040 16978376274 15513271785 11142435869 15314467693 13889853947 14327719791 8174818070 12029967692 20261913394 9362323949 7076316715 15609016341 12118966124 18154690535 8119221343 15494112432 14564350743 16373043651 19348037874 16110128668 9258075817 17612051414 18340576999 15616632241 17624214669 17896751190 18993928929 15430423499 17259303697 14264522381 12574417369 17293630409 15700827841 9884800093 13594428923 12786766942 13221733471 16312031881 15668603235 13338989651 13244445939 13872104616 12984555643 13082741031 13262053164 12357040687 13226318763 11721564526 10534441656 11672760241 13191300168 13646443253 14264912518 13932454028 12739727228 11455103831 14586149069 14536728585 16150357290 15486425476 13767180954 15188302396 17374277421 14973063691 14150340911 13355560533 11952284954 14820927477 12097780947 14656006933 15385961093 19561019876 15238449895 16619742876 15765760980 16390595504 15813200912 14858100651 14592691591 12998658828 15168103014 13966892397 14671594162 15161841756 12130935729 11791501958 12135733988 16649394097 13989586816 15054444977 13884797635 16069362611 13215617503 13505529676 11596780441 11481997007 11956409263 13961644053 14837587954 16273769295 15807300433 15341038026 12890484311 17753327120 13983825664 14291699785 13976424844 13580965777 15599426205 15760699483 13207506646 15068311036 14501100062 14231641420 12959696355 12394545537 14111331971 Glycerol 3-Phosphate 13887701.88 18896106.47 14800379.02 11375324.89 6473192.944 5723608.996 26400235.58 4057711.278 7466388.593 5784388.409 18733619.16 20429590.26 10604501.45 12233941.41 10103480.71 18261751.03 12712907.77 9147789.893 15699101.79 7084263.806 14333697.1 26672342.17 10016651 13055737.59 12768576.27 15767379.65 13262960.49 7631809.514 4499059.055 6155873.842 9622280.436 15541342.89 9770117.731 7937169.345 6084008.619 9904353.793 25764596.49 9441990.992 11446942.62 12249312.88 8457811.093 12234650.44 8073005.834 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13998740.69 28683938.82 14250935.59 15033186.18 28972210.27 11904956.21 22984370.05 38817849.21 14276611.81 7079791.498 9836780.208 8121098.397 10328273.6 11028432.55 37624130.63 15809111.96 18546029.23 8869142.229 3690531.493 15246115.34 10562724.92 12644670.19 9121407.772 16082638.44 21226111.6 19526534.13 28475342.61 8086780.708 6624516.332 15386920.78 21154705.09 16587006.73 6590175.034 4901819.75 13309029.23 19235346.94 26092590.73 13495126 41176625.03 30369620.31 25962857.2 29836775.27 24910712.8 10968174.06 20910489.16 8113619.349 12887316.67 18582816.35 28579901.49 27842490.51 11040791.06 29546191.77 13272412.57 5414753.832 15016925.44 19765221.63 15173189.82 30516896.87 23336678.85 27710533.43 31224890.61 37595346.05 17918397.6 11748168.53 37085623.54 18279141.18 18810721.98 33777923.61 7522588.041 19790946.68 20126956.14 26627704.05 20587086.26 22662936.14 48014036.42 27814536.9 36465653.19 23118322.09 20021266.29 27572296.99 18154759.15 25429840.31 10984257.07 4130776.891 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18235156.92 14857163.95 12726740.67 20386788.42 5894039.271 9786167.284 34318440.93 11833316.02 14180257.51 16278300.35 22331476.4 32107768.89 25548179.8 33932018.73 12885504.07 11729758.42 43267347.52 27531324.54 19175069.9 14664713.34 9278131.226 16363803.55 14734045.49 12513860.84 22059074.59 histidine_peak1_main 2144792838 1891195822 4001609074 3192970224 2615330673 2014409263 2155472922 2896128278 2889192065 2155208673 2649252303 2198429020 2662085201 2139911914 2696171708 2804301012 2756294846 3373299518 3623318762 2986108649 3010002682 2002334604 3642839062 4159358645 3746630929 2678921443 2038364136 2236158708 2718324284 2520898944 3373795963 2071571235 2986111818 2183431826 2183548484 3111748806 2484221143 2920199639 2895926923 2636016758 2747893401 2320027883 2769421897 3308384154 4017213534 2800661845 2074188542 2211012254 1736925580 2758712313 2911358757 2051871776 2315914538 2052656724 3664108374 2759175355 1709911556 3397308415 2647175188 2771330357 1321725409 1361870235 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471535218.2 549082108.8 560147135 442599581.4 187152845.2 369201384.1 514942331.2 377137361.1 366633681.8 276556221.9 173647730.5 237017480.4 222822863.7 255397145.8 148703606.1 394442986.6 552473258.3 373751201 422235560 292639851.6 252762734.4 517734085.9 268151658 327439414.2 233511340.8 277115288 359574411.2 336748959.2 397931018.4 352751188.2 335816833.9 470920278.1 368692610.4 282750032.6 296634468.7 333640479.6 766871445.1 278867283.9 429622685.3 433873803.2 359003501.3 372422278.5 284940634.4 292948592.8 372271757.6 390547315.8 355761598 356807396.1 269351172.4 312823235.3 263782861.2 377330146.3 340782953.9 396813503.2 447802563 461088278 505861165 355220160.3 311554516.5 299940287.5 222324290.2 534519575.4 366506544.1 478607767.7 341935491 441214248 486331942.1 411233578.4 379866948.2 1255980919 421766017.4 563558524.8 359773607.7 344011766.2 404859793.2 244170642.3 306522046.1 190904098.8 268292031.3 182288033.5 334339456.3 337302029.5 306883460.9 212058365.9 453897863.5 201765847.1 375230172.2 316446457.9 199318769.6 185563168.7 361436386.8 464896621.5 381337391.3 363580904.7 602004026.2 153014926 243555443.6 297816516.9 268972036 205347902.8 431274865.1 236875431.3 230949035.8 157455169 405687440.8 442894480.5 576702524.1 643978133.7 580527956.1 419045613.1 188395580 521628600.1 312574815.2 434107417.4 222252744 261819915.9 658374636.9 557162735.1 752569951.3 302823738.4 215787339.8 243603993.9 331164082.8 132498618.9 105212559 143491927 364160412.8 404551971.4 519223769.6 532174294.2 262360526.5 510803394.9 401320051.8 317118739.4 304016823.1 348635027.1 335387318.1 319579779.2 450506818 155995615.5 242277449.9 297606700.5 350489508 265071597.3 138800079.5 186689102.1 205546343.8 197215686.7 163870983.4 204747784.5 273561690.2 289627012.8 470624790.6 430231743.9 289443420.2 441715362.5 422266727 487407685.7 448839360.4 480267096 184731113.9 368387736.4 255691140.1 239813511.9 410158267 182284792.2 662975265.4 251564826 380951329.9 225950268.9 289709925.7 473504944.8 400335243.5 288928967.6 166488604.6 222502370.6 679369185.1 74946971.2 197567218 236034023.7 204598546.4 410494588.3 263642783.8 615286581.1 288029781.1 386153684.5 590258528.3 384439741.3 279478728.3 344860624.5 274274575.6 621013241.1 400956339.9 422465585.5 474255987.8 191093046.2 416945682.6 158867989 300203398.4 239484413.8 237237938.8 3724112946 206803398 214873439.9 159515237.3 269236345.2 331658871.5 235707802.3 184927276.2 535172662.3 147951750.9 213835682.3 234563910.4 298628526 236859572.1 302050214.3 240377599 208424222 278552749.9 165444109.4 170229978.4 282790565.2 233406635.7 144987772.1 140794788.5 151234906.2 418996533.4 255593608.7 246889398.8 298173557.8 401971888.8 481426505 281915130.1 260569845 197917124.6 223535905.6 171795872.4 314057426.7 449408638.1 440768846.2 369899680.7 470661265.9 279191502.6 313567704.8 434345835.6 274775763.9 332211044.9 248178512.1 1248769560 825583684.1 199553067.4 400488252.6 270350462.8 278663240.7 264032293.2 608503478.3 493324306.5 377497122.6 373472693.9 352242503 300041447.4 243551268.3 213320439.2 214380750.5 203206436.4 204478814 346629591 290615997.7 273817846.1 290494644.7 308867724.2 635622510.3 338529003.4 430722153.3 355233874.5 328415195.1 445197450.6 277873105.5 227230253.8 236379710.4 260099558.2 300367872.3 270490506.3 237855142.9 222202973 meprobamate 5549103.373 12213401.91 10905189.96 11974182.32 7395192.138 9241750.376 10013840.55 10575860.92 12162701.41 9693538.006 10028361.19 18359303.39 12203762.92 16181653.22 10021873.75 10117509.47 14550017.74 12901410.32 15220993.31 10248742.01 9457655.975 12494863.3 5967477.156 11804313.99 12090205.48 7658442.468 5637546.301 4784078.07 7067780.615 6118947.519 5580870.049 6053823.173 5449249.537 6575562.333 6334656.584 12819340.76 25499925.17 12974890.95 20509443.46 14340805.52 14558013.42 13619755.76 14057602.44 19309738.41 15331994.91 14625668.07 10111247.82 8748239.746 11351068.59 8930849.278 11004817.68 19578774.27 13299305.17 22527711.24 18699857.96 12809640.91 4129185.47 13069624.07 11654531.91 14690222.2 3220496.483 13928260.13 8788205.938 8673809.796 6765592.102 13293261.49 21919830.62 9059065.78 14383669.82 11452917.06 11143330.83 13107748.96 8151010.916 13350563.67 10101935.7 13209016.69 13047287.13 9615750.295 17412693.93 12346029.72 5783440.12 5603269.798 9029394.168 15329038.61 8979420.178 4514234.462 8238466.035 7573624.659 6772990.989 5160600.667 9738479.577 12766307.65 9905521.392 15728926.46 13644182.33 8120802.103 15000324.66 11014646.51 16046148.79 11961699.96 13680078.42 6491370.324 7129665.589 6195432.097 9742317.786 14650476.9 25499339.61 13266676.97 15503397.54 10473528.61 6300870.627 9615884.442 8985385.632 9891344.039 9322730.046 11111755.26 13397400.09 3486408.393 5983472.078 8124864.978 4509190.918 7675041.251 5962960.833 6137016.149 5956977.757 8126262.934 11561818.37 19005947.03 17870839.84 16032481.23 11947009.71 13039227.2 13474079.62 13211678.63 15735102.26 17651616.19 9533772.125 10361345.75 13414526.89 8226877.039 8460631.881 11451873.52 14553026.9 13787263.46 8208546.704 7452724.623 6945830.891 8869055.862 8135041.334 9849307.631 8723610.136 9428554.438 15443128.48 18155033.54 9668018.392 11074577.5 17606584.29 22526132.06 20084055.99 12657441.67 7775459.989 11213912.71 9990699.939 11299278.26 12472903.4 8244843.891 17629076.07 12425887.63 18226354.49 12399581.51 9507886.713 12741469.93 12832522.63 11116912.27 8093351.759 8894223.159 9744237.054 4639094.708 8717667.558 6791206.408 5905978.959 9424831.195 5050768.666 7072728.181 7524228.661 11271810.59 15667166.69 9600149.297 9329843.079 10052340.94 14050640.83 20820352.85 13194076.44 13684425.05 15483596.24 14333702.26 15380912.5 15769251.49 17143370.36 11199745.63 7784773.244 8721299.436 8363971.152 11683264.78 8301636.517 8377831.101 8212305.622 8575472.397 7313448.989 7411487.914 15244352.29 16775494.97 9862004.154 11581914.36 8443878.085 18021114.2 6972943.099 7510506.629 9362034.728 7811112.279 10641091.54 9650860.072 9177138.613 8987811.347 9286794.353 13021441.56 15827727.6 11213611.5 17360123.9 12318138.86 6689935.258 6580920.171 5176340.793 10181714.3 8562355.506 6183617.446 6478168.234 6360655.808 10152291.25 10793586.52 9416890.465 11324759.57 9879904.633 9857738.587 12146720.83 12048701.09 11534128.9 8952795.436 7485200.401 6030942.67 8366438.112 10643804.33 10608864.65 12057921.06 9091299.703 13428694.15 11524405.07 11159917.51 12356111.21 11210864.4 10234007.94 10241988.77 9423150.543 9996738.841 10560178.78 13115241.01 13898357.41 12382332.08 13444057.9 13999934.6 13317550.11 15193020.14 14366890.2 22419951.9 13635608.13 10851831.42 17664927.6 17246418.59 15603855.38 13442938.69 9058569.386 10129881.6 9791057.197 9683342.116 12560772.24 Methionine 518366939.6 226160893.5 498145152.7 187101057.7 118338910.4 261823844 438021338.2 262437952.5 196351228.2 220207480.6 436187958.8 307245955.3 304258016.7 219271315.8 3022643614 423831118.2 312297847.5 370833473.9 335003613.1 355178838.9 335120395.9 450971855.2 236892435.2 312145232.2 308075678.5 255076712.1 312239932.1 264800032.4 394483760 294152731.2 319115581 347370725.9 288451186.4 219836842.7 269813104.2 246253099.8 456412996.4 325125288.3 326974558.3 373575314.1 419544633.6 326339532.5 311474111 365594110.6 2546217274 628220345 475486997 414561781.3 160099342.1 292174190.1 282940502.5 319491134 309901627.9 261302971.3 328738251.6 573589026.7 512824055.6 368335104.3 329794984.4 275004412.9 240389776.1 421714271.3 820914588.4 227631254.3 364390290.9 444109266.8 611987900.7 343631795.7 348597422.2 2352163363 380393669.9 485018026.4 477691008.8 566382899.3 480718857.4 248804909.1 140722630.6 215026797.9 149742642.9 144793637.6 199348823.4 171479770.4 235516763.2 269681618.2 272727684.4 204241912.7 164241384.5 185184450 163152312.4 126827681.7 320109348.7 457493498.4 245776471.1 307705176.3 283085208.6 261188071.8 374091037.8 356518251 214016660.5 407373885.3 341501657.3 180275210.1 234532610 127456037.5 176173952.4 277659295.3 438931325.3 203809316.2 338152794.7 302295136.6 231707182 198351849.5 182129851.6 190371458.3 212538445.3 330430007.8 293687105.8 660820633.9 639237649.3 186694174.1 196600186 320464982.2 273164456.6 142136352.6 149956146.5 179798490.7 358919293.2 543176057.1 484530327.5 484019383.6 631327116.7 1028475208 405462485.9 319843383.5 303293472.3 539936951.8 630336353.7 499626209.3 609510333.9 356165777.2 434947200.2 419779788.9 648800787.4 361015445.9 209916871.2 524429895.7 312860279.4 498223974.8 375020649.3 894723422.6 568719892.9 339104534.9 528715763.9 512490561.4 382548819.1 464637877.3 1009760520 525375552.5 820457366.9 378113272.3 294381720.9 301840269.5 303566104.3 339459873.8 378135590 479919866.3 837258459.3 255004452.6 288848956.9 267766712 407871350.7 372104703.2 330507939.2 291396657.8 171156303.6 508333076.6 1348986316 421672412.3 271971544.1 520301611.6 521607817.6 737532789.8 344387239.4 904103625.6 424935330.4 407900676.8 631817006.3 334062042.8 197228472.6 358547398.9 547588184 389314954.8 502763873.8 563750235.2 333673829.9 308133751.4 696456587.3 305753921.6 386162930.8 378184107.7 490420254.1 2774681234 377041381.1 259459648.6 328670318.5 318732819.3 263478120.9 244285295.7 285703788.1 717663507.2 296751078.4 234861647.4 198917954.2 256063618.7 281779794.6 182526383.4 231630084.4 166585579.3 220211732.3 214521720 202210605.1 214013986.6 214575670.6 166361477.2 237729966.4 311281494.1 472549434 402065970.7 249612059.4 300076902.7 325368852 159981698.9 210116735.1 194575431 294794570.4 445226462.2 203948987.8 316075112.8 306128162.8 439266911.6 351220483.6 411398670 416744396.2 455258292.1 276170046.2 356500497.9 335803054.4 233567534.7 893806275.6 831820953.2 405418380.9 414563997.7 311834667.4 284098000.3 248137765.9 839557910.2 509460146.9 364535238 300972257.6 486892673.9 376773106.5 220319562.2 242671718.5 161961383.7 194108850.3 222838217.3 389797963.4 389050500.8 484026710.6 233568724.7 440343051.3 1119635979 423368190.7 324010199.2 270035701.1 367025130.3 363835049.2 334756944.1 267115468.8 163534275 301618737.3 182719435 246528943.8 262958849 264271382.3 Methionine sulfoxide 100442076.3 67210538.56 76361994.56 27583470.69 25647476.99 36638733.71 65559019.32 35977351.19 38936016.65 50842977.55 85431614.36 63206258.95 47344044.11 41012272.5 805825269.6 89365179.56 49823452.36 79829985.15 56886466.32 58708488.6 56054737.44 76192457.47 38909153.2 55414739.55 61131005.83 49128028.23 70529586.69 39082372.94 74520158.64 65132511.35 60352873.17 48499995.35 68375650.61 49352220.9 53725782.83 41463304.51 59098288.32 53192446.52 46408672.03 45823817.36 59288890.5 51687574.71 52948157.74 40487152.84 280196212.9 91513432.69 52586291.66 44094669.07 28335805.19 56091881.5 45766199.31 46273768 55979329.65 44414426.33 54199516.14 94090824.91 89240407.63 56043059.93 58565912.62 59970869.82 46788164.2 74368379.97 144506320 48412294.45 60278414.92 59690706.17 50269707.1 54709203.95 57324323.81 451198614.8 55083707.17 57611708.95 71828814.17 39966066.39 48399089.4 123391306.9 130328173.2 8943153.936 11977375.18 11504447.34 44580680.79 130327909.9 14426092.32 21720144.3 22430502.11 47035305.83 57978780.75 15548282.7 7602490.463 4048100.592 65518656.58 114779534.1 30251138.1 29548613.35 30478423.31 8884415.771 10685133.98 14298372.58 10094310.26 34041132.19 20762366.75 17529665.12 7211463.315 14036435.07 54455188.73 18526761.2 27717638.88 11826877.17 18971116.91 8190127.345 5968806.764 15684183.27 12183737.92 14884556.04 22300420.01 13024144.44 14885398.45 40036559.33 34346661.62 13949845.88 6217760.325 20590948.44 15264982.91 13748744.73 9577227.563 13562189.61 41000142.9 79962623.84 113233982.8 94649786.17 130596836.5 145907856.9 130247135 57416791.58 56965353.97 251036884.3 75411071 46786024.02 189599207.5 93211306.43 69794379.17 91247559.94 105753835 68991619.58 32754092.95 58124673.12 54944541.49 156566263.2 103805533.1 144428768 111323478.6 72206093.73 135651389.4 87536884.89 86771049.65 61113722.79 214960818.7 107145644.3 149558307.2 78351272.95 59407914.6 168795478 58975747.03 62710127.25 64902141.97 125546536.5 175957501.4 63435329.04 72047701.1 55261129.09 77193816.37 67947686.35 67193518.6 49624300.45 61389892.08 92933277.68 261471081.7 41103268.85 64655012.56 223376252.8 67320466.69 67942704.86 60587078.31 179097577.7 73625195.18 55083463.52 104877735.4 39713056.84 26704714.2 55868513.51 72180120.47 69899793.7 100077858.4 101066734.4 79173078.63 60451840.36 147854126.4 85712511.61 80700709.73 80020895.72 107400923.6 289239638.2 73209891.72 67076937.15 71382611.77 64139917.26 48022947.26 54648870.59 51926638.32 154895196.5 33572775.47 35674407.87 45936312.66 49077678.21 49625506.19 26230478.62 51923583.42 31930252.62 39992785.69 36764086.12 35053225.72 36732129.16 45241312.8 29128604.38 44777546.69 71188186.09 108545187.3 74548003.89 39501271.94 57676156.33 58824959.41 32920119.28 38645504.32 31524451.95 40477684.11 65776927.48 32340556.33 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18323495.14 14798794.13 11383196.1 16302633.2 37500489.34 23646809.33 24289211.02 2159027.352 24767917.2 21532869.17 32834965.76 25387914.28 29525587.26 16869728.19 21977366.86 19869525.34 25883433.51 21785156.54 10669473.45 13048406.04 23834488.91 27424597.42 16751352.96 12157806.47 17253776.16 15841802.9 14991120.74 15646700.16 18787605.54 19605316.38 20545359.54 26671932.28 22100082.96 16483569.91 36752692.48 23717516.68 34033195.5 17849764.18 23287006.13 12890617.45 20303420.15 16834881.74 21028323.01 20538508.61 36296588.23 19660913.1 24290388.99 19515806.77 15577571.71 14857789.95 17190508.08 10443295.59 20673574.53 26583204.69 22189853.7 2507380.731 5955107.803 16515752.08 10910485.63 13594134.27 9784600.079 6102397.734 13981027.24 14261230.62 11733811.24 27335233.49 24076225.33 28351907.13 30466380.56 19323311.67 29808592.4 19736541.17 31504942.04 26376878.82 15653412.88 24637911.2 31507496.11 19313085.35 19480494.2 14529090.38 31358569.79 35879573.1 15188567.49 19651092.88 14859368.34 27986980.75 16764422.79 31296346.51 14292897.29 13166226.48 37329961.01 43827053.77 19818183.89 28513634.41 42951264.49 47965046.74 50664995.32 22095831.97 13406922.92 15290455.16 10334747.5 22092179.52 22478521.42 19609729.98 35653283.62 29414687.1 41488057.19 33349919.07 11761796.33 22535584.23 32275020.38 27428427.69 17153702.48 16324983.8 15043719.81 10763095.94 14677861.41 4829411.98 12197149.36 19015457.44 8215751.102 7003489.643 13348398.78 25650998.79 28622248.99 30234778.72 19893163.72 33283225.04 38934155.82 39227103.36 37743728.87 47602219.62 36831140.47 32264454.17 28361547.64 34377206.61 35971060.27 37607906.02 22954056.25 1290743.753 22653794.34 26770144.49 25121945.42 26879607.03 25345683.54 22580829.54 24041873.22 7087019.208 31641168.26 24955483.41 29782571.91 25940792.42 29382928.51 37949177.79 12969130.8 22729625.58 22873566.07 24563871.59 16744792.32 19482735.15 23142130.11 22191327.54 24520286.2 30262274.36 38734772.04 25763074.09 36316720.63 24294031.03 14638586.99 14404220.66 16950867.92 29728604.22 25535521.37 12273948.23 8496114.829 13744732.58 14142325.98 24068045.18 14501449.93 16270904.09 20803318.84 15992604.19 20078526.5 24656817.22 23651458.25 25204129.3 6454429.043 6037397.594 20765646.03 21742444.97 25304351.8 24456401.31 24112210.45 20149707.37 21637518.2 22814881.93 24218176.33 25727091.89 18625018.34 21664903.86 28362816.11 25967990.41 34285241.54 21393566.41 24291111.7 25961875.55 28677803 31459552.75 24739416.46 31686377.96 30208466.63 39089352.19 22889689.37 22062178.69 33267062.81 31934083.78 25001756.85 26801538.82 22254093.63 20960270.61 25344198.9 25903327.35 32776343.48 N-acetyllysine 109687570.8 38442741.3 46409890.45 38411774.35 25250481.38 45505854.11 59950362.54 42840237.94 43208778.44 39602542.45 64416402.18 49473581.93 28226125.47 46300637.93 23924624.67 43416671.8 46298834.16 36643343.33 56407646.8 34955544.28 43816278.28 59294423.16 36101575.98 39480612.01 36232575.17 55278350.51 49232796.57 42279899.65 54854603.55 48711290.35 38234809.66 38768565.76 39423025.04 33693075.51 30719862.66 61819264.73 71187861.41 31595815.72 42791180.85 29260231.33 38554905.17 40006909.63 36082561.28 45213140 41572602.73 28252310.77 36547309.37 37239287.43 19124657.85 32454767 38228133.15 40329356.46 34243772.6 28182608.84 27437324.37 87387138.27 45695838.96 32538775.53 29803992.87 33780546.75 39622543.44 55134623.01 51484256.64 57422158.33 41001736.27 54139612.81 53088397.54 36538796 39038704.58 68189586.85 39853983.82 50775652.85 42929097.57 43142304.36 40889042.61 46092600.78 28758588.04 20679213.8 22080564.25 22904703.58 31900375.48 31457562.47 29548325.44 24120527.15 29298315.21 38004206.49 42239219.8 35410603.08 28532389.7 23492000.91 32504202.74 43698113.18 31494430.95 40249147.54 40207966.86 27733521.84 41928771.29 29291916.3 31641142.31 26425153.44 40766588.35 16626989.43 20491373.47 17035093.98 26154057.22 44071236.95 50302081.98 37303608.73 42803690.07 22315411.2 31813417.94 59276598.02 33274033.93 42151832.25 34223787.49 38697235.92 52122991.92 60446382.34 69121329.25 38219893.06 26035919.77 40640710.76 29177494.11 27142237.14 21741335.31 29913791.39 48923047.52 56260058.86 49588868.14 41794033.74 44759162.93 51786283.2 35538195.78 31327742.1 34578553.76 39726975.99 35605287.03 32073564.75 42243597.69 19107126.86 31000240.39 42915539.95 49390726.41 50192148.28 21797530.55 40618999.27 27983572.35 30129177.2 24674970.96 40433626.59 34887991.61 28160649.68 52570506.81 42259090.95 23990511.66 15690636.45 36984039.34 34099402.38 42359923.9 27445351.28 17346334.52 25209288.71 17578402.86 25785421.23 29525682.89 31004513.57 78266633.08 26172837.89 47401703.03 28908241.13 46236608.12 47671330.28 39287822.63 35981391.86 20441145.76 29969737.9 67253724.66 17107001.45 23207609.26 43603508.02 36391594.48 55964064.96 22047527.21 82757190.82 36089557.64 43262486.22 62813652.25 35923012.07 25690321.4 44785363.85 49933096.94 70774737.67 79127709.09 48217556.4 47126225.79 59358975.08 60523950.48 25346377.87 31219555.66 33662446.28 47294024.54 46615442.16 27572256.16 31640729.35 26773301.9 45106607.89 42496446.76 28903626.94 28921596 70590067.4 34953421.23 39285671.8 40739450.25 36701234.83 36034816.82 25123606.57 26760400.23 23308629.36 27195721.81 21020902.56 41861713.74 40156607.02 27183166.46 19189056.02 26979596.01 32527871.96 47973971.15 34442297.33 33563872.23 39806338.35 50348693.76 45882903.41 33251929.75 35105282.48 28341117.94 55461291.05 36725772.02 37371947.38 50384245.12 51741798.17 29588641.87 43608977.39 26178407.41 34999991.61 32674331.91 27592026.39 21676586.28 15813859.92 60644638.8 51173289.73 27485662.73 33192449.69 23228673 24385328.7 24804030.17 58508108.22 57160138.63 39783243.15 32375725.75 36561718.37 44286109.74 35785743.1 22834942.91 28315385.56 21109283.85 52853008.83 42542978.82 27434253.09 33249187.46 30429409.52 34762964.2 50259106.83 34304564.45 39608099.34 33130312.48 26908280.72 32365678.39 38125708.92 32658609.68 24008639.57 34060930.64 29569862.36 23575486.88 24855663.96 27043073.44 N-ACETYLNEURAMINATE 311558892.5 232209731.4 246825368.4 292697590.2 131097914.5 260627508.1 246836712.5 325340726.3 267204269.2 263330498.1 349071780.5 653483382 332226197.5 313794863.6 304489116.7 355714928.9 266865169 443371015.1 441262666.6 307695175.9 317091451.4 256247027.9 296149167.1 292849969.5 298395410.1 245038364.7 128511985.1 167581023.1 137788464.4 144854579.5 234483284.1 218992366.3 181050434.6 213841600.8 211266628 508456098.5 802018775.4 392366889.4 679226940.2 420314943.3 374621799.1 325146331.8 361495412.9 710231310.8 332561052 364056299.8 285528925.1 263027314.9 314614892.8 215264611.8 344771023.4 553470517.9 380232876 759680150.3 371790187.2 254635417.5 231948283.2 281853943.1 217064382.2 297321661 96515254.62 290121728.2 196219054.4 179164475.8 136050200.3 407939416.3 712338670.6 276255082.7 375266951.1 129813784.9 416110396.8 344823139.4 338617520.9 335620296.5 284887577.7 432278263.7 372982967.2 317425072 928684494.4 385825548.8 150689670 132573008.6 224548096.6 624599608.9 320919268.3 116800871.9 190484781.3 276516876.4 107559201.1 155421255.9 276368990.4 363138664.6 374992715.3 524166516.8 315309601.6 299103822.7 763503864.3 339618997.7 782294944.6 415057659.7 610631291.3 183213007.5 283120241.7 182111621.2 356014609.2 452037826.9 610375937.1 257977365 475233601.1 192705670.8 176925963.9 278412578.1 269560924.2 305400212.9 176350002 476477359.4 655214575 87391272.73 179427070.6 282427770.7 194455099.5 131345262.6 140178955 134655721.9 136138185.2 222915658.1 156467411.2 346608325.5 363239331 444921472.5 452772715.3 294323238 487297400.4 288588813.8 513916731.6 1263821698 207078688.2 315166778.1 406065393.6 151862666.5 193662860.2 178876117.3 518393701.1 417312160.9 159317707.6 263811881 130396090.7 271610899 182491585.1 479978353.2 228512963.8 158289579.1 621334172.3 879504050.6 171776485.4 345568600.5 390219478 450369641.2 669839036.9 195518604.9 195646038.4 166496763.1 201097622.6 300648709.8 274904362.9 307328135.8 397741627 488807870.4 915557173.4 526269651.3 209582972.2 189503244.6 299695820.3 257188396.2 124402755.6 203444758.4 129845500.5 87563748.55 160055212 53333262.18 148618489.1 176441312.2 94776747.22 118126475.3 158534067.4 523787954.1 503888023.7 385486105 245045551.1 372872075.6 410477653.1 458003391.5 328282822.1 300629919.4 300443010.4 381100496.8 341483041.8 607436512.4 577084580.1 397580492.2 213416678.2 10819611.43 227410940 314940029.6 253326256.6 340392423.2 286241287.8 337966075.1 224637852.4 118623337.8 572086533.7 554751338.9 325744003.9 381279266.7 319179520.7 561624710.9 188361074.9 243799132.7 234615804.2 260915002.8 332454780.9 218700324.3 352535715.5 367974738.9 288872868.6 450344194.5 451255970.5 318945221.1 781251275.4 261967527.1 196117764.1 176311666.5 149638596 397068028.1 282207801.6 148226379.8 123286147.5 144343113 190942098.4 230907345.4 223072151.6 161914508.9 279102647.8 205741256.2 279262110.5 421099914.2 366993774.4 273966667.4 127754450.3 132532731.5 343843444.2 429536201 404831032.9 417900580 291614600.4 437220664.8 235993673.7 260363159 314664877.1 220858859.1 367543522.4 273707485.5 351979115.3 295952869.1 335990622.4 338430431.9 368057834.9 311206919.6 296129064.9 321731368.6 457334553.8 418936493.2 429233419 762635326.4 347816702.3 357070940.8 694958136.2 490233431.3 402767848.1 345109338.7 364369218.8 320752642.3 399071259 433648709.4 439702945.6 N-Acetylnorvaline 18713968.91 16458698.09 98680665.43 44186570.93 103509144.4 234875140 250340215.8 637994446.7 422602363.7 254420702.5 18903773.89 18679172.67 21201438.24 13734142.67 111961285.7 70922309.96 20518649.56 313201827.7 531034353.1 169225771.6 72459478.57 74621768.92 48559039.94 53039058.36 46269419.88 53738919.03 17916852.51 84299749.01 477353604.2 212782246.9 14151786.73 12650641.35 12310380.13 4774584.557 9824263.299 108916816.7 32228341.97 173005574.1 105317286 40229574.27 142722456.7 23505676.71 152055396.1 73619556.98 47684607.59 63761329.89 25170502.85 249169872.3 232431882.7 395238537.9 118439490.3 20017964.3 73695242.71 81443555.03 138972988.8 231288835.5 272100720.5 498784066.4 369353816.3 110356300 44000347.8 19213934.03 28238359.88 15838904.22 330152257.4 19276234.68 14158836.81 13812525.96 42092537.48 87483486.24 187370859.8 511803856.3 70465741.47 580427440.2 436530315.5 132206623.4 99985269.28 447337359.1 453872867.5 440972033.1 163405067.9 24400701.76 142306894.5 55642954.37 24000677.74 8326681.107 31662616.79 77632155.98 90065332.6 97404976.64 69044305.43 19640453.52 321292166.1 85456051.2 74657870.89 63330120.53 20303888.41 294279556 82942738.83 121124760.8 21602306.88 8411461.547 7042516.166 7760604.549 68764660 65795768.5 209480206.6 149249898.2 37619333.11 81633827.98 67221297.8 67523426.65 125377961.2 82075337.52 46798987.13 23160806.77 18767721.02 566736105.8 105956629.2 93939263.82 12600656.47 21351301.37 76086073.97 16162305.16 470885253.3 16702786.02 75369598.24 56987458.08 11664001.67 39281132.25 33111553.56 151801076.7 373768489.7 56976070.76 183632539.4 17552786.72 7882883.349 157342754.1 33449039.28 212921599.2 129425543 485536599.2 98687441.13 46569410.61 451374585.5 93232557.87 18172015.92 464037996.5 596946756.3 314397234.9 5509075.468 4016946.878 1860325.4 12258006.48 8062163.137 38660449.95 21204289.99 130289998.6 107424713.7 191034269 6382866.245 36985450.92 59506302.95 288157117.5 21997393.72 24376150.17 11663919.08 53082871.43 30835627.83 3865055.904 9549746.842 1176747.129 36694019.2 53994301.76 31301667.14 3947428.908 12296008.06 4113232.479 34771590.75 158317806.7 272285049.7 544829268.5 92605751.37 872072271.5 24737821.11 75470161.48 28247844.3 42225367.53 171948350.3 39445839.2 134047078.5 17490884.7 14123102.3 10320748.88 11905741.95 72216779.26 352562056.6 120493697.1 81850298.92 58440360.19 70153931.1 1921152620 46257574.81 3866829.144 18678667.92 30290555.34 11555573.17 29539616.61 15535311.52 516767092.1 42556066.64 13326730.49 257725149.9 38204111.5 37039281.33 10683948.53 4217096.911 41560478.57 31288357.73 24450366.15 58316124.84 315936874.9 25007116.39 9170188.415 125165242.9 50382274.03 33025777.7 20414439.77 14332157.83 12454170.86 9115973.905 1807021.179 13006352.52 151322243.7 27945474.42 75775242.5 11266761.33 42932238.6 80266927.83 213883170.9 18520552.1 251391620.3 31549433.94 32351909.29 83984185.56 23055573.16 42817120.59 105394426.7 211800003 411768010.3 104213220.1 41932797.07 2616758.643 40865603.66 42445003.28 138428929.9 33076684.99 28842232.23 268988619.5 118392220.6 69230135.54 459484597.1 296894062.4 570925056.1 302541025.6 95898525.86 75184844.25 65809083.83 236697327 237858907.1 36913797.19 64272574.49 104403431.1 44294392.26 11813967.18 2655301.539 74722507.14 15008518.18 34050181.33 34210185.29 143847212.5 45282915.67 75903171.37 71918574.4 437441397.2 N-Benzylformamide 127972687.2 114567520.2 276674868.5 149417464.6 27947473.81 112541296.4 163098918.4 133503927.1 96844855.91 105537487.5 241682607.6 120527896.5 112011547.9 98702668.89 51872042.09 210066243.1 132885183.8 128750711.3 142274637.4 158232338.5 119812091.3 146101411.5 82786812.8 112081631.7 95018148.14 121906045.1 163986133.8 122477723.8 216819236.2 170461024.6 182509769.2 100194113.6 181598710 102664576 58044888.01 100456983 153178426.3 148859839.3 125033475.2 83757755.91 158142324.1 119545857.5 107390704.5 147418500.7 256141732.4 244170881.3 137875048.2 168117266.5 93799429.77 48677023.83 124050127.2 140279380 71806475.21 69334676.38 54947996.57 133590103.8 112040109.5 109060093.1 83239964.96 33403001.66 92431395.96 140158794 255973584.9 92802459.81 84164128.2 198264093.1 167094172.3 118671682.1 155448991.9 281812985 217515225.2 178256870.9 163694544.6 175380542.2 90278788.91 107215617.6 90608724.24 114215664.5 118494358.3 51534729.59 101730619.4 97859117.11 146579331.3 79922848.61 113109320.2 91332935.48 80820158.47 116092882.6 66485339.34 35904032.41 146254131 155727116.2 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352338033.4 71829809.89 71813575.9 35909586.36 129971859.4 131597802 76054613.07 206843502.7 144622479.8 199192453.8 185414266.9 122093766.9 74834540.42 78836781.37 105259600.3 126848782 346540880.3 154409720.7 64757924.86 123428832.7 221800593.4 107681806.3 102877382.5 120793018 112836261.2 701639236.4 174979289.2 72066673.21 58061031.27 107548284.6 62615017.36 64170220.29 73986672.76 87495237.06 70433286.28 72138745.55 81020000.25 123970436.4 114389624.9 80101721.97 57736375.22 76266007.98 79795911.96 71903848.3 103881455.8 79070914.25 75143290.81 60197399.9 58874171.88 96386733.99 121447736.1 72738420.93 66776738.47 61699029.08 130704611.1 77504286.27 93527114.44 74053044.56 43487457.16 138945175.8 81663987.22 148675252.5 136703692.5 109515665.5 138176278.9 150739752.5 149262754 149376726.9 58484982.12 147583201.5 133885899.9 109351290.3 270085155.1 129141237.8 135159654.5 123623424 97072771.69 88385294.75 57714212.89 133318908.7 175037986 96851974.33 66176117.02 108994474.9 131335245.1 45916660.25 82520041.93 60977123.1 21589932.49 128957164 110097413.6 149833947 127686241.2 78057004.92 139221819.7 385506796.8 79139626.45 105815890 57786155.89 130346819.5 110015800.5 69473446.38 150927249.4 16929959.04 132421470.5 50853102.81 87001293.57 84553233.96 33313536.91 N-METHYLGLUTAMATE 192272313 133914725.5 60741566.22 94612482.19 147290052.4 114791468.6 163882222.5 132749386.2 139912244.4 166612792.1 87659080.24 152375699.3 95521028.96 104561217.2 122410184.3 113927382.1 97132658.02 135071283.3 169814898.2 146184727.4 86536967.92 180066266.6 101669589.4 91695135.29 185901138.8 89082944.57 100379202.3 140357925.6 85946767.95 53540074.38 85080617.02 132294330.3 153783923 93519824.3 143589292.2 148077364.4 103775555.4 105537451.8 141886969.7 86349536.67 84944321.8 87746360.32 90940846.91 121710223.2 113200191.3 151679509.5 128729358.2 135863217.6 147552642.7 139841491.3 154412639 156311881.2 104912437 108475640.1 86557146.22 88799526.27 108345662.9 134053854.9 182947351.2 141530311.5 135377709.7 142849285 87142589.48 132096720.1 98324196.46 48767378.49 124454366.1 127573280.2 104354329.9 69960130.26 104271509.6 157600119.8 146921085.8 125337558.3 84088078.41 89268702.98 88050858.32 117414745.9 160130641.8 125003158.7 141026532.7 113700980.4 165578278.2 174116464.9 69564657.1 131437712 85649128.32 53232901.31 34770752.29 54205498.91 91769220.87 166017024.3 102502103.8 79475873.65 83234938.34 140950548.3 84315331.39 67669664.69 19855301.47 102284659.9 99675777.03 117538484.2 97570036.65 145637724.3 78971190.31 90905069.04 109177344.6 85179852.35 62268761.54 76740146.99 105814528.7 92615760.6 91231642.61 71180278.59 143746962 109088453 70706801 65810485.51 67627485.58 91177143.74 66244682.55 75406254.09 71776926.34 88431667 110190310 106802052.9 136074336.4 107194301.8 96729639.94 92260671.8 142792470.4 127368652.2 156173635.9 134408818.2 90984142.42 149901390.1 140160749.3 161747035.9 219959606.7 245772520.2 192827812 320015757.7 185189767.3 168824808.1 279364139.9 86826723.06 133428928.2 167830391.9 128724927.6 167697463.3 150520409.5 123168305.9 166691674.1 151767114.2 96873293.43 153139191.6 160224043.2 180130104.1 210586362 192066617.9 91931768.61 176994352.2 110982602.5 132210885.3 135865993.7 125985171.9 187930365.1 171163897 154928702.9 124849144 180796387.9 160997212.5 141087641.2 166155205.5 116530888.7 137515418.9 151626274.2 147577975.3 138426901 108213351.1 262582359.5 612921716.6 106619491.9 130432067.3 134959842.3 203383603.6 153450944.9 101166986.8 88392568 122514587 79150928.81 83955771.6 62133301.12 49769167.16 52210451.31 78867843.84 156934804.7 110115887.6 92062384.29 123480856.1 157504318.8 37569918.98 95164492.1 115250753.3 96799656.02 107327988.2 63537656.01 102754760.8 82492705.18 65571097.85 84696156.27 83596065.3 91798183.4 88672433.99 89209254.93 84910239.29 52823310.6 89343628.15 96462101.52 87989144.72 113145428.5 160483529.8 108816336.9 69527214.18 91957754.69 112546871.7 68201936.79 123354912.6 68774075.91 88224066.91 89189999.71 80486241.41 79488913.57 40728367.44 81920503.42 83282416.76 104049215.4 72007970.35 46322002.73 89541070.84 94977185.54 83497366.54 78711349.2 97447640.03 106895556.3 70606634.64 92229778.74 96994347.13 49275972.87 33110758.91 106892183.8 94426230.46 102598554.3 84622725.71 100128769.4 141572206.5 82520994.22 74270669.78 109615130.1 93528863.86 98390125.46 33765791.53 78830332.83 68455600.86 91230250.36 104491448.2 103507860.3 107278439.5 109057647 87433290.28 109479388.6 153038336.8 100141572.1 113360350.1 89680768.89 104590282.4 100311690.6 109105676 70969587.63 95718433.21 79474209.81 87170196.3 66945666.32 87079268.39 39605828.67 N,N,N-TRIMETHYLLYSINE 369780440.3 208411445.4 211191839.9 200491066.3 118456543.5 250356108.2 279597923.3 270119700.1 264978389 257958112.7 362630879.8 357584518.8 300786671.2 300454550.6 308419065.3 291074957.1 246006708.1 282204649.5 245115563.4 235951190.4 274794663.7 284245565.8 267300450 227820630.2 276630649.3 255004068.2 176556442.6 190057172.7 157378379.3 160990792 276355729.1 282084293.5 224334619.3 182867512 229834772.8 363445691.9 468838717.2 300918707.8 381567517.7 275525173.6 328699635.2 345479672.8 264928193 216401201.4 445654327 313893694.1 240176579.1 240555241.7 201494673.6 188583281.2 233498589.9 304337092.2 220654676.9 193031470.1 216177777.6 243964363.1 222392608.5 193843526.6 157952043.8 172866804 97520179.76 265539764.5 281127525.8 207955303.4 179223607.1 339069542.7 385125842 246618107.5 315501804.7 279860443.2 338076579.3 322190052.8 315682310.2 301191662 279546154.3 270705770.8 280191890.4 205500118.5 263595193.6 218346485.4 144035970 196150458.4 205842835.5 184207230.9 209757311.3 136436697.1 184695823.9 169597052.1 166248975.8 139652237.5 285578377.8 473002007.2 224368193 273316080.4 316467858.3 193237377.7 245572685.3 204692932.5 176075534.3 202892431.4 405559396.4 185498421.1 212677322.1 197622073.8 213070476.5 255279859.3 286099730.8 223238204.5 264720578 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206580659.4 199290175.7 310094244.5 303857753.9 293319808.7 233520829.6 340502754.6 N~2~-Acetyl-L-ornithine 35001302.75 65136465.16 87649492.51 45129780.17 69029955.93 152047358.7 52533398.47 161040516.2 118726798.4 121617158.6 43003066.55 37681187.37 70361498.2 40237384.02 20289106.48 51630478.14 26849476.92 91780918.04 57743727.28 56500846.34 37035062.17 32113607.51 32216766.18 34689033.02 83075711 49512583.44 13771450.05 26752621.89 101273496.6 56553085.99 69767889.94 74928902.99 60157307.57 43033508.11 41505853.51 199001940.8 113428339 184347933.7 117447554.1 120992410.7 131340641.4 41351737.53 114287308.6 99039871.35 78837135.1 25373497.45 12053086.09 225352676.2 28985430.63 40820553.32 42755249.39 15843549.12 22812528.15 20105424.35 21436570.14 51381517.32 36317674.07 82678856.6 65224039.77 74187659.85 9859145.845 8494563.966 34923304.18 57165579.86 43343765.74 48020901.86 77986034.41 50247188.63 67001775.95 269148401.9 33138485.3 45576811.1 26485964.98 26340610.58 44214265.31 74864293.32 56097427.56 81234173.74 82657300.41 66024185.2 53342334.76 33838995.22 29438521.54 17494606.32 86827407.64 30939808.98 68757699.83 128054635.1 39916927.36 56055609.46 27822888.72 11533253.45 46937653.97 42619547.55 40415876.56 30668154.79 26110718.92 48055459.97 42150834.64 64381330.63 63453153.44 7333296.103 22461075.03 13090544.72 32789798.45 99748954.26 97803348.22 81654236.56 71785744.84 36106182.23 31543169.57 34102203.44 21016767.98 47741916.62 9884486.103 23559016 14723457.08 123664318 55319641.73 31850713.94 12378892.15 18694693.06 32317668.79 30088921.72 52090296.89 48300834.44 83803022.97 157588987.2 159161060.9 90419198.45 126537878.6 24963677.7 96808406.85 25830701.38 46326194.3 38964601.34 22588161.01 58581765.4 82563786.29 94091688.86 83647481.66 29504251.57 153876289.7 82540603.66 73800515.16 33559283.33 43776166.88 68167265.87 61413235.53 144848608.3 16997295.12 24936007.14 23115827.84 21344615.72 30687296.35 18701600.9 6051122.9 153169811.4 108369859.9 85155634.29 39530517.08 49257614.29 30892603.9 32667653.34 90823797.37 30924532.9 36709400.14 63986679.86 54440984 34977984.03 10824006.92 12286090 23433177.18 22108748.92 8419365.116 64716285.87 41231543.65 87399757.22 62718543.03 271098267.2 38377747.36 26631708.49 23099570.72 104042369.3 16117389.74 28473308.47 45607826.3 50040041.74 18504716.38 42316179.26 35810595.45 11569887.48 123659087.7 53540314.4 48800615.05 50801603.35 65424786.78 34326669.7 26191145.14 27018752.87 14520537.57 252357140.8 23709297.17 36301536.07 15180135.77 34309472.63 15067566.58 48437233.92 16697227.31 94772282.13 106312449.7 10976037.58 50249339.84 41116742.23 83385196.43 49959364.37 14501532.01 46225733.83 47102529.13 45546543.82 114363487.6 83838454.54 63876388.08 38409533.58 51185109.7 93509156.19 38812738.81 119846739.8 48048376.27 52519988.86 17605356.61 9592640.836 24950137.94 34335975.58 32539927.36 112715848.3 34754249.18 168883124.5 258793911.3 168370350.7 59351819.58 54186029.71 97721348.85 50623653.71 33298807.32 14368532.61 14702057.84 33362331.94 108515076.8 121588055.4 21118772.98 8412003.216 20842438.49 19957636.35 67525321.4 26304005.52 53410617.85 82215643.15 37658660.66 100597978.9 67693605.35 59107689.91 88545228.46 55819384.77 86967943.41 50174060.8 39496326.28 55531353.75 31949504.86 55419007.99 59891489.27 30383659.23 98915408.82 45556311.62 55970710.64 12739142.26 19808091.58 16940002.42 20278280.29 20617332.36 24619401.56 30318818.94 18389085.16 23011795.06 29116533.89 N4-Acetylcytidine 73891282.78 6253285.97 17064065.94 12988768.08 4219258.665 26816665.3 5710731.992 13849909.99 12258260.67 14708855.17 92451671.81 19476200.88 35346061.29 22814109.12 50954129.07 41302343.71 6266896.454 17214897.85 22492088.77 36495739.64 10697909.75 7383081.487 13424240.24 11607421.62 24709095.77 43290841.48 9430934.184 3637377.868 15819721.17 14521313.38 25762132.45 9243193.124 4933868.624 4761118.806 21604033.25 74270291.23 16449010.86 22401139.22 29846959.15 23189891.42 31232097.32 11356375.49 7373516.633 17893149.07 23845054.02 19058401.39 14133758.89 8270632.139 7061609.35 18119477.74 34223567.55 10230755.29 7215235 5712753.568 36904699.56 47973830.58 13963016.76 10421012.22 9374908.605 10424850.09 6233238.513 3272116.906 8301346.595 20624120.96 6033089.091 119381419.5 20513092.9 10026125.64 19721483.23 35583071.09 26736465.24 6118718.951 4586958.459 17147625.59 22327858.44 55151295.95 13304726.31 22408754.93 20246179.16 33335275.31 27542731.31 9180029.703 17217250.07 17386642.07 32865067.44 4559708.09 7515522.922 17559363.58 7141296.223 23056116.66 15417463.42 9312996.612 11247659.42 11501997.56 24313983.75 13602776.18 8590450.18 11818127.57 14011026.94 14986023.78 47073731.84 9356966.488 12270353.26 9272799.374 32728318.45 56467680 18042011.26 52275694.1 26685864.99 33021691.83 31091687.03 15649499.13 10064939.9 6851407.148 17490392.3 36120522.26 10276138.52 32082879.31 19631651.62 26831992.02 22626967.12 8638166.494 22027352.76 5240987.564 17944174.17 22328142.96 7352819.122 25144844.59 11772531.84 48144736.46 60737977.49 16477524.93 14772521.44 9656761.804 24745024.28 24921880.25 6492218.461 31491812.04 16544191.25 7350991.817 12582711.45 5644145.038 29463216.62 14732664.42 9434716.769 26150540.5 5966872.433 60373250.2 9598995.138 25791295.3 19633148.42 4100882.784 18824028.5 15064663.7 21154726.72 13445248.37 11344573.14 104775586.1 72658190.25 18622080.15 7670934.163 6786649.639 6131650.378 13184309.2 12606757.74 10535745.42 13827405.88 5961114.111 14043561.37 28574014.02 21156937.59 6089526.289 12583442.67 19694768 12030098.57 21062468.45 12628401.21 15971321.03 11504720.59 89024526.5 20971768.67 10116862.63 5838284.615 24282024.98 15139922.69 22224762.76 15327981.7 13475796.95 4819197.2 22869373.23 110619701.1 11967825.21 87799740.36 49764609.97 32060260.06 34825468.42 9657495.103 12986384.87 6216297.18 5836697.532 26282765.5 5258918.228 9249023.416 16010497.03 10081660.01 28660205.17 9788515.585 11481015.3 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45612282.84 45784801.98 49175599.65 59969135.58 69961068.72 65281888.32 65676920.03 62570731.52 62977755.13 64758907.86 44086453.65 60732951.59 77701048.42 55765349.78 66146505.09 83184557.92 65822384.16 48451270.14 52552887.61 71476044.43 77820086.36 39320922.5 41060358.52 43827353.47 48427228.96 38970740.45 63925729.76 54484909.68 41940294.65 76467342.53 83668675.03 48313547.09 71077723.89 85352965.14 93018389.18 114837580.9 51089697.05 30839085.43 57430812.23 50302019.15 52349250.15 55274261.2 51990351.47 88380639.25 56049503.34 79498185.93 70686459.23 36545652.39 49171772.05 57979115.53 47871684.24 44934032.64 44598884.05 55483015.15 37130390.3 38471351.73 26350936.24 45758446.66 57456476.68 35903305.29 28591800.04 38824043.19 56698931.25 77987943.3 55232197.09 44822591.63 78620870.83 96921503.14 81227562.19 75574826.39 86548612.59 97449837.94 52776889.03 74319699.93 52345311.26 53295154.64 68053488.99 52663641.41 11622108.23 44677478.89 43810317.14 44738935.55 66543653.91 70682331.24 67748800.16 59798292.01 39181169.04 86075124.4 73250064.64 60135985.53 54849162.53 61886465.62 67146252.86 42856739.21 45035317.8 48803827.53 59576866.27 47992835.28 48814032.89 48910810.92 46252172.88 63018371.63 59070260.9 87782688.38 65546901.84 54217798.63 66707708.67 54330640.19 48056193.71 43394600.2 51998999.17 53414307.32 51992034.99 38262988.6 50273372.14 38783542.07 72095513.06 44339761.62 51979065.29 47512954.08 49911770.95 50977668.73 70970480.69 53142538.55 52850307.69 36631310.82 45927360.95 55208161.19 66321411.88 60097581.45 57782130.85 52315999.41 60768805.9 50778796.77 57994958.82 61058622.41 66426863.35 54089961.21 55528520.18 50497196.73 50259952.92 59560863.14 62278609.12 67764072.15 71067423 75677415.12 79189698.83 49680242.93 82447847.36 55729678.59 69527637.08 60709820.56 53636636.04 66464731.55 67644372.71 51917036.79 76791952.32 50879824.39 53715240.02 40946897.05 52504647.04 65774596.04 p-aminobenzoate 38466716.23 61307812.33 39710875.05 37106507.45 31663015.96 36108479.17 42097410.69 76007701.42 44356671.89 35484363.54 36624936.38 47033213.1 94462878.87 50155748.04 38080131.82 42894216.94 43836219.64 42780575.37 42308220.59 56207509.91 35326979.26 44869892.34 44926376.79 33487013 68926596.4 26593244.82 26239641.63 29747188.74 51307157.63 46366066.34 29618376.75 45472240.81 28583862.11 29586229.25 34165741.64 81097181.15 123569404.8 95123331.21 116792410.6 95503418.76 41517433.2 45053293.01 47580679.4 96995920.9 44131414.55 71329391.25 46292627.23 77901982.33 81240401.94 53378161.72 90117690.43 102958209.6 43973187.59 49216612.36 39699869.99 46410616.05 52330921.29 42260867.05 72613306.65 47444781.59 21079919.56 29457215.42 35928390.38 43845518.67 33895404.93 81626080.11 96920659.17 39907909.38 49193909.61 163467746 68467350.17 60470648.12 106546309.6 55493597.31 50499654.51 42023924.08 44188689.51 38191187.64 66318467.07 67049430.37 36861545.99 28989611.51 47313304.56 64420961.32 38840793.27 23354716.44 38846806.46 45621174.66 13866345.04 37700258.22 51219399.88 32120830.26 33190577.84 54867297.61 47910722.36 45887853.8 50942195.1 48630208.98 55895079.92 58495384.78 51519806.52 28408021.35 33310926.39 38844123.33 28185674.2 48923509.64 53946752.45 60055309.02 32280135.49 33811730.35 39339554.77 28223625.57 42325395.65 34886859.14 43536992.33 62047190.9 63197280.89 62429073.95 42692848.57 57272086.33 36197000.06 35413871.88 59635271.69 33209356.66 47506375.32 48561222.6 37445548.02 59551684.51 69825827.45 54533956.07 41969328.94 58473337.77 52605326.4 38169808.7 33203366.74 34060774.67 27229109.37 25918237.9 28693142.44 43857880.38 29893071.07 44780627.87 44544882.01 39039034.67 39338660.41 22782359.17 53682014.57 76379466.65 67159684.39 36497363.77 27354487.73 33231670.59 38012352.84 38866336.88 32998214.76 28735035.84 27229357.24 84246814.78 75869730.36 45703527.19 17257605.21 43305577.54 43950279.84 47745762.41 62942538.22 23126476.64 48125675.14 39740452.61 49202368.24 39998995.51 41094097.52 25427048.72 37481480.87 23719436.57 19309924.06 21606565.36 46122460.83 28643618.68 36322544.11 217420626.1 24056315.7 37735769.22 24573852 120329327.9 20025422.7 30086861.79 49897055.65 63431428.24 36541580.82 46882791.42 31267234.95 30819055.94 65213394.01 45158678.91 35786891.15 25792084.4 41026760.84 33308166.31 58844046.86 35382486.78 30852072.95 734498059 44160329.46 35450791.46 28855743.64 30391644.02 30003156.94 34144044.7 20467228.34 51075450.22 18391256.8 18499130.81 49823272.7 60726123.41 35826283.21 40750267.31 21358870.2 18581785.8 24661277.49 27826911.34 26755323.15 28839209.66 19042249.8 37823081 19858931.97 34454987.9 60740782.93 27064258.07 37966306.58 39228211.44 14484139.56 21571079.36 19335088 36842036.58 16092141.5 16746590.72 20127484.01 77618483.64 185088419.2 86173247.97 18719633.54 37566658.2 69597898.89 23943395.31 34059329.22 23574444.3 27519495.76 37971959.5 137145084.5 160573765 30667446.55 22337616.45 23940343.95 21596291.7 33082791.58 38022850.7 43314872.64 62107298.27 29920106.06 113164180.4 24164613.63 35401554.24 35842977.55 50204204.01 64110604.78 34803704.09 41001402.67 34359378.45 46124902.25 37023362.91 61063612.43 61130613.41 138457259.1 65187819.79 64186908.67 30838415.53 28582414.56 41461902.2 36042086.69 30973743.52 24318082.04 34773286.6 35589616.43 30201049.72 44663148.39 Phenylacetyl glutamine 25887037.37 4872262.024 8267102.099 17261132.55 9909956.652 47633440 59649263.78 29069469.8 63837603.54 16827300.2 20335269.62 19175380.5 11381214.95 11367312.51 10975024.04 33343659.18 23629287.2 8636598.139 50080779.67 27843828.23 4951474.509 30975651.14 16825201.94 8780827.88 3656559.604 24143644.6 8841012.423 28191618.36 111362513.8 68537555.33 24890165.03 3192037.586 27611027.17 18570757.72 26442767.2 21114600.32 10648449.43 3217679.457 15370732.51 8000417.403 51645540.45 8263282.392 22006038.1 129117968.5 8360359.5 45177849.72 5149156.781 22795342 38164388.33 22728078.27 15132752.64 11808119.44 3212830.595 27055268.31 4478663.447 69800270.86 12831376.14 19178335.46 8612734.245 8398940.071 6700768.307 127989223.4 15646634.22 39207373.52 24614798.76 39322213.57 29938734.35 13361618.58 11863595.67 154360617.5 4309947.546 5772151.475 18703883.92 1607672.666 9906283.022 2939672.518 109761838.7 1053345.967 12377257.85 4093497.661 20976556.35 48794371.97 19231362.68 20475262.09 17861017.75 11738093.29 25450654.64 25379156.37 20623730.34 1986642.463 1769620.113 3687171.547 27067728.19 3439271.875 5420510.562 758408.0153 8448959.042 5197157.158 3113891.385 1552536.781 14017990.89 764827.5733 14561751.08 3863275.585 2563068.595 1151953.724 24956340.99 21836007.06 7100442.47 8923522.394 8413125.759 30695675.41 20733843.42 11746049.13 5031280.836 7823385.898 4911404.675 651998931.4 309142847.3 20038387.58 23603675.44 8122352.044 24676822.83 8665112.197 554536.6343 1869350.341 6774984.733 12124281.5 15021538 7762368.7 22036159.89 30197727.18 16665067.25 16907004.07 8461363.958 6116821.692 54366712.82 27994609.92 25199952.6 10283658.74 40460474.64 5929192.538 9451006.788 43287441.78 3785580.698 3719652.889 1862605.674 7284587.755 11543541.99 8945105.303 22120677.13 7462807.849 28319684.68 105195559.3 13436215.79 1043091.84 8229902.301 7428756.5 97673724.63 22327942.58 19864162.12 35526014.77 38222507.34 8521086.325 6253951.778 41752486.71 77088523.26 36629129.76 6029412.214 10651829.69 21254220.2 6552372.159 31077963.38 5725062.333 7001974.894 18060103.97 16033508.72 5366133.887 10710176.48 46524422.66 5933420.559 21267978.4 27281358.11 276960249.9 35006200.82 6080211.684 16022339.68 3793713.875 3503437.66 26122038.64 24557753.18 35259614.04 59369484.02 25516661.74 62902181.44 33388920.12 50618605.08 1714355.205 8872430.144 13115350.63 28476595.25 264075548.2 28875673.49 8663022.255 15216313.34 2503901.08 41965958.89 8411377.881 5088971.162 141368507 3196806.812 24078485.63 21576904.48 3183568.721 35802680.93 2002775.136 48337198.27 2291247.282 2799913.702 3536629.97 15610237.33 4012768.793 3138561.827 18627666.43 5062801.511 12733294.9 18250518.31 16524354.33 26311003.96 5289418.549 23847005.67 23159752.41 12812011.09 2668971.332 8062986.199 2921714.135 15437951.87 26586546.34 45397812.7 16420804.58 4754988.385 3763230.242 2253698.211 7470840.354 2006119.925 5968629.134 36301323.16 2242386.367 658220713.7 103157879.9 12981090.49 4123820.426 12335750.63 5011343.733 3247776.535 113421955 151438699.8 26971728.46 108711992.2 8669732.113 7649044.681 4701470.413 30060543.08 28663427.58 10938315.16 23258803.18 79470686.46 2668658.275 7095925.741 4209279.924 14347779.36 41598638.29 38037142.38 27857001.66 15796582.61 20957749.79 8039193.201 2409537.081 11743983.9 3342407.817 20976755.58 2627960.255 22607683.01 4286323.627 7051493.649 phenylalanine 1846376378 1172172537 2435793876 2446089405 642241807.3 1233088449 2400168587 1362449188 1665308701 1164411101 2425440086 1963655526 942714700.4 1700653195 856874363.4 1811322031 1811189625 1710083625 2718566988 1338885219 1661979036 2019486484 1059859881 1711728551 1611904043 1861477244 2344762407 1458153694 4805766168 3171040099 1831212594 1413663118 1315234934 1973348806 993871915.3 1373001438 2022132146 1139232530 2125129527 1232174460 1508539625 1879492843 1062442219 2586424251 3498543992 1601489317 1602195365 1485614479 1097850758 950160691.8 1785764164 2615386260 1088504108 1910240020 1088410774 2262742944 1764075604 1199546211 4380073449 766417064.7 698111504 1330163356 4898821715 1868469797 1544141973 2763892927 2237604649 1321200261 5495813940 4067492461 1230733007 1339823329 1160256420 1693100395 1114819461 1625583970 1261007695 991885268.2 5183718185 1188374237 1071793955 1408619617 1211884066 909253702.1 1289232784 970758049.6 1537094161 1413540998 1129105357 905721144.5 1549037526 2623636263 1187812403 8177462552 2310554151 1116121953 2310653579 1177282809 2095126978 2628266884 1957999784 938041735.7 1265107503 873006475.2 1098996087 1625894128 3539447987 3872594633 7425790517 1443300249 1230675885 1627338345 1264964463 1504613835 1079361597 1781864005 2126308963 2584508944 2933042254 1394033789 1044306464 2042633812 1470316986 1211505654 614165464.4 1180715165 1618282901 1704667473 1727784568 1417235751 1413809779 2113656812 980129292.3 2302884383 670577963.1 1797567846 1810917190 1011290996 1016846544 1811462994 1076131675 1415919721 903862096.8 2345124132 603173417.8 1547033968 969794112.4 1109282150 852576277.3 1197599198 1180849387 1301311446 1466119428 2121572713 1004062189 1285157759 3884052018 1966801551 1060622292 1119581240 766321593.3 1329241845 848803698.1 3311923207 1256999701 1483028347 3748035525 1035111670 3552894635 1450139393 1186989982 1441753103 1010263022 5486021149 455690905.5 1224005012 2798122124 693981368.9 1116065073 1360149866 1089842084 1835652578 830849531.8 3758606771 1453523132 1256433866 1649492574 966082075.5 1538047449 988941253.2 1174084076 1110313052 9561756167 4340835795 792113382.8 1198982055 1826993502 641137640 1045505468 1128979704 1202906734 10317791014 816652330.7 1857968082 993521791.1 1115556399 983819280.5 740002160.2 1330705749 1949046891 873871940.1 1496167643 1082829367 803539098.7 769330423.5 748334198.1 589925554.5 758220177 1245336917 798139851 1312486792 882672756.8 885027608.8 1697843525 952742310.1 1614342950 1741285062 1412422247 3547706745 1500699332 1313159722 896222893.6 1209519025 1386762417 491951081.1 2016078790 1197614419 1208177565 3749248666 1533461788 936888667 1392047174 925247112.8 3264488314 841098396.7 1366096623 1422350577 1227620170 8954328214 1939468717 1662196547 1328170599 1082796551 1254474762 884262540.2 2221918315 2212175460 1529205508 922332024.5 1373684021 1235457083 790439561.3 738391109.2 1292679596 679719314.1 1230499132 1237204129 1171047794 2401210429 1427847781 1159599651 3385183776 1058102734 2199017431 847549386.1 903666483.1 1147553245 1319602595 6899563619 534654234.7 1162784696 1001656455 650092384.3 1094657061 697212153.4 phosphocholine 304765943.6 399163820.8 460327422.5 434723878.7 220813656.9 255841141.5 611077494.1 218572677.4 255774870.6 222332091.6 590537278.3 984205686 378477938.5 473486644.4 403959242.6 302190104.9 377820533.1 203034739.7 389669027.9 188081129.3 373687402.1 490791284.8 233870720.6 271721887.5 297791498.3 544506834.9 524289576.5 217320928.1 134706898.1 183197528.5 362722665.3 625438122.6 318417544.1 359115156.9 340770223.7 382088690.6 929677675.9 294309935.8 517306489.7 420975150.3 356418775.1 394996083.2 254661449.7 307038234.9 242806504.5 374378309.7 443995720.5 170161790.4 247044493.1 197022473.8 238397922.5 447987118.4 293404794.4 274342388.9 274606335.5 380717442.9 398185345.5 260265228.4 215242504 332333726.2 137732064.7 698488055.9 405935030.6 614122162.6 333770744.6 353828564.9 751869531.7 136915954.2 265380026.1 142768282.5 644098061.4 654770487.6 427601725.4 479628156.5 461369037.6 365440847.9 393183354.8 208350593.5 368054599.2 305438855.1 184592926.3 260811926.6 223933046.8 241739850.2 272133219.4 290047460.8 500332974.6 308217379.8 252189028.8 238605837.1 274743945.4 286314665.4 169070681.1 192188933.7 299251210.8 182359161 252407922.4 116184985.3 215966226.5 224614622.1 479162999.8 371523822.5 196955559.8 132150671.3 301923263.5 352305464.2 404104056.4 250280340 219884872 258084792.5 340481434.3 774216162.6 268453963.1 451215617 309027179 409966116.2 1108063066 174270369 133425258 420112636 481579826.2 847242006.2 459966100.6 416093015.9 412471622.5 341513180.3 357759958.7 421894333.2 458175258 549533485.4 308428432.8 359461858.7 205649615.6 168572241.9 270514511 631991147.9 699372839.8 416614585.6 600786191.7 259309193.2 250138363.4 531739686.5 347278963.7 397750696.6 224623208.6 406067615.7 643125824.2 308364430.2 211789828.2 352296841.1 182102350.7 226874726.5 237393869.9 218145244.5 122226020.8 231379326.5 332103740.2 219991729.9 309618463.1 213025143.5 220007844.6 495532332.7 172297520.1 217685789.9 301374013.5 153911368.7 380297212.7 177887864.5 358968877.8 218102321.7 361567310.5 504607953.6 310505718.4 267370629 246010754.6 371135980.4 448005082.8 116173869.5 223830658.1 169377596 420726847 1217352712 317572815.2 495181381.6 655042159 415791152.9 764382687.2 321054270.1 257778534.9 363079110.2 369768893.9 633933885.1 297783265.4 272163312.9 280308148.5 538385392.7 1117825234 481936542.9 470606536.7 571882652.9 284576350.8 395367962.6 280489659.7 402401486.7 230643632.2 335553383.2 357920994.6 170653086.1 163776872.4 134488921.2 346019943.6 422579727.5 228902806 344009755.1 268486632.5 576302315.4 617589056 248483729 320383229.3 285705706.3 649075848.3 626651801 341918257.4 281118946.8 333285870.7 287298935.8 310874959.3 115793327 189951303.8 142177206.3 650509123.2 679604742.4 370393705.2 314544853.7 295147148 374472647.3 341106098.8 176237822.8 319918639.3 369677468.3 358411789.1 348011553.5 268981076.2 187143513.6 357282599 350125986.9 561287588 208228287.6 171308627 193240128.6 405315334.9 626954506.9 395162225.6 473655843.8 280818684.3 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11626445.99 15166770.07 15281329.01 27438563.98 9013232.441 24763381.32 45338664.47 17191198.36 13973472.75 15343698.05 24157673.96 6047661.59 15703183.67 9946564.981 10090685.07 25628431.27 9947432.432 20660783.35 16180078.78 29856259.99 105275689.1 52521832.91 25647180.98 9742025.103 18839095.01 12940045.27 15318982.03 23399799.61 12910761.3 10056941.6 15046748.32 41823622.37 11427499.46 19748491.28 9599097.583 7417687.806 11194930.58 17087475.4 7603953.075 12782586.7 13771426.26 15358887 16637008.06 9702222.862 12576041.36 67147444.34 5435292.391 14746817.77 10740306.49 8114946.246 8510359.775 69484935.3 18166140.03 29683310.15 12361571.74 7982919.443 Pyroglutamic Acid 11017833049 10755218863 11552104473 11167427439 5534125140 8771082642 12209546613 9585120880 9394451982 9072724217 13543382800 10682644861 9205078819 9651087811 9017380136 11951635813 11705682562 10963459975 11829475101 9762585674 10199388281 10613445801 10979029155 10733137656 11230441081 11275205179 9411651385 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465347945.8 601379587.8 1052159557 832946953.9 1040884830 771814185 823656200.6 609805294.7 420271619.3 922039700.1 816764061.9 409333519.7 513453238.8 458832312.4 864330299.9 653521751.5 533592012.7 609524253.8 177217903.9 451924868.6 774921269 1147411109 569542718.8 440981051.7 1265753038 1080827167 762370628.3 1078765150 2261346677 994162316.9 1037920290 1128710588 1298613578 723165743.9 603309150.9 357283529.4 539152334.3 575256690.7 401113765.9 375209386.4 401357110.3 517451609.4 504596156.1 508917769.5 489740877.3 525450570.4 508851320.9 397084106.1 310264355.9 469288350.9 609590997 385311573.9 668850234.4 430775854.9 389237391 409684873.3 295432015 355235882.4 356326333.5 751865364.5 306114561.1 535043553.4 357003164.4 362411166.2 733354891.7 891616122.7 573404693.9 638145306.5 446965069.7 566987899.3 477543916 464737234.5 488456875.1 457495956.4 729750510.9 569302293.8 927308514.7 1131721307 366377009.3 362359515.8 336520062.3 607148198.9 504797441.5 380816119.8 494931828.1 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364129867.6 751214797.8 522012500.1 394166612.8 337540461.9 550156968.8 558770717.9 547825624.7 690071743 487739703.2 372712155.1 346447871.3 271366456.8 569096487.2 487480001.3 349428910.2 480097886.3 323511187.3 830936949.2 459825543.8 634358796.5 422506029 243393021.3 1333502383 698373371.3 960682340.6 1284894819 940686971.4 579751391.5 623504993.3 699270150.4 794515831.4 460273851.5 748502420.2 736850771.9 756904443.7 2842132226 902189341.8 1041160490 675251478.9 468065702.3 491941243.6 327022190.7 673440337 714796621.1 519807669 482515520.1 527461460.9 696601880.1 314104027.1 394119364.6 464066345.4 162347948.1 1000078769 556234349.7 574036338.4 744031000.9 305816490.7 646241479.6 1310915921 563043380.4 704611527.8 440963519.4 539061737.3 542211408.2 477122643.9 629168286.6 154289150.7 937587284.8 349538113.7 594344216.2 810912379.1 292213650.4 Tryptophan 435847606.5 392718627.1 966984875.7 872214295.1 159756932 639156560.2 505301377.7 595645229.6 511706560 415978760.6 952049724.7 424757577.4 502191744 843763150 227197542.4 581942382.8 487384178.5 348074007.1 494295196.2 591984691.1 489460492.8 394606260.3 394226561.9 466822847.5 365197465.1 700170471.9 423044227.4 499401714.2 1385146040 933815864.7 868890199.3 482454514.8 480981282.3 402956115.3 186387940.5 513590316.1 557262642.5 530739875.8 713511969.8 347542111.2 634594294.9 314091693.5 406034116.3 719365212.7 554644385.4 697313329.2 513203924.4 558872407.3 392293612.2 278868770.8 628849670.3 540266041 272247259.5 343645561.5 302281396 573052202 423957972.2 346109948.9 398090832.8 119201980 295139631.4 488591268.6 749266289.2 386184221.5 289649009.6 856716672.8 742408101.1 478795307.5 686899715.9 1460587472 681480450.5 702428166.4 740100408.2 861580945.7 489152579.7 414624052.6 255627746.7 382967668.1 403577914.9 261734950.8 253689799.7 285088706 327174158.4 344403191.5 357975180.6 329339577.2 346383605.3 340051859.6 263970866.1 227652531.3 324592584.2 420523299.9 272628965.8 458988817 295244904.8 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294914434.8 553482301.7 760733877.1 576859435.7 1545105776 463622127.5 551412931.6 489488758.7 449741626.3 320491887.4 266391051.6 836637422.1 455601434.7 683326149.7 523055682.3 240697791.4 647990896.1 484931810.1 289281486 632735065.1 331183139.5 347234742.2 5024156468 274086835.6 328984436.4 175072405.7 373802845.5 264816524.4 317553071.6 435033908.4 437387238.5 415554257.2 382897743.3 251957594.5 516509954.5 361394783 275831600.6 224507070.6 371250414.6 389993495.7 379274156.4 460318946.7 329298644.1 251639618.7 243584313.9 190507963.9 396176271.5 341906951.4 239741378.1 337679217.7 229401218.9 563004122.2 311518162.9 447274962.5 298605865.8 167537796.6 934520649.8 485716796.6 655757387.4 888152510 671894992.7 390576571.5 435838960.2 472091094.5 547620685 314901301.5 522450837.2 512182792.8 533681679.2 1984344056 650298725.6 715644798.4 466919788.9 315528965.1 345478486.7 228563369.4 467212372.8 504485501.7 352922654.9 326123443.3 373663225.2 469156338.5 222609941.7 281466295.2 325168463.7 112518849.6 678271834.4 387002433.4 401033835.4 519558286 209824608 440511984.1 879805472.6 397155644.2 477709219.8 292344665.6 379724593.7 367844912.8 336410647.6 427382752.2 107049051.9 658418047.9 240370776.4 408596502.6 573334765.3 200865338.5 Tyrosine 607821449 526530363.3 1241888081 709783009.9 130211512.6 507054535.1 752222205.3 618367101.1 436770575.1 476858196.8 1111148548 546977265.3 493469346.8 445686838.7 236502760.3 976943808.1 598785778.9 563517296 685865875.6 727008761.1 533916703.3 669212108.1 376797719.2 506036264.7 443636216.4 565663611.8 727639529.2 550492262.5 967713020.5 767866108.7 852361250.1 456262636.9 832590593.1 477005268.2 266707302.2 447206995.3 695811329 687499377.8 601840810.6 400417114.7 736745485.8 547122011.1 505095759.3 696953829.8 1185713334 1109573657 639405633.5 766895695.2 426308184.9 238007719.9 587927559.1 636609146.2 333102246.6 321774413 245888316.6 641595650.8 538415424.6 495992585.2 385926767.8 155815975.2 440936170.8 627960754.1 1137669458 436310971.4 398398931.3 922208261.2 809828692.4 530973823.1 697510123.2 1299819559 1037030324 844171708.2 737772470.4 795568137.3 423701321.3 514908689.9 405189384.6 523555546.6 579342023.7 250954559.7 482743815.8 469221336.9 668911815.7 390409309.1 523965588.8 449304580.6 390147817.8 558396167.6 332007482.8 175878793.7 699371245.3 774092122.5 556648652.6 611344492.1 421253824.2 448678655.6 712807094.6 426427833.9 431374588.2 797003857.1 917079635.6 300705145.9 608282859 265593258.5 314726039.4 786595713 1003428154 471554473.9 906779600.7 158956942.3 510383084.5 570339819.9 634081920.3 590292888.8 420921551.5 1214217219 783345718.3 843914764 1019965578 408137348.8 324995847 644791243 302388344.2 350486569.5 176324360.5 535662573.5 814774785.2 1372586989 1189909833 632268381.3 1415228432 858997993.8 630169018.4 374066522.1 233410210.7 790441055.1 849335507.8 671276802.8 792638227.4 412697285.2 635578721.1 484040673.3 893866590.6 651590947.2 148353893.7 712625216 252887875.7 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460670148.3 371306598.9 206310863.8 676234690.6 383634846.4 720708277.9 628290464.4 533347749.4 636669758.4 729345429.6 709593640.7 714140664 277896032.7 715816950.1 642099558.9 537910088.6 1280736869 636984713.8 654373450.3 604284875.7 452497087.6 413555493.5 289240113 652274557.8 772008135.9 466124229.3 307216936.8 538554582.9 606694556.9 211763482.9 410654008.8 304372144.5 114960922.7 607480719.7 548971790.3 702807814 629890801.2 373536220.9 655364161.5 1757055312 389620035.2 506272373.1 278686608.5 637869363.6 528219729.5 353369556.3 723806189.6 90097845.94 647298872 255805878.5 425682904.7 417718297.1 163316281.3 Valine 631339397.9 512659808.6 658683101.6 459964473.6 378695517.4 485525376.1 728045598.1 548725058.7 603087515.8 416517127.6 404419881.7 498596012.5 363167000.9 520624262.9 515094237.6 585839027.3 746197081.9 503079360.8 585529712.1 563714010.4 441130736.8 558478139.9 519847669.8 581943135.4 471986437.2 447594052.9 627101650.3 633847133.3 1722414913 1304104311 494273603.7 500228075.7 543105709.5 534507647.2 443569853.2 429785101.2 690845513.1 509095389.6 773118147.1 453145116 608545742.9 524457633.3 463959072.7 837344629.3 823396287.1 545408557.8 620247263.2 537942740.6 483299249.1 673246026.1 560473788.4 450076864.7 617401674 681781964.8 702651038.2 472536512 578391513.8 522553414.6 605137083.4 455281318.2 482249426.7 556077997.4 537511302.1 635245512.9 551775895.8 466681243.6 655064375.2 598843001 570230596 2572197317 521351208 805810717.1 583249962.9 625020900.2 532196654.5 457093565.1 617103372 443976681.2 462606523.9 434041428.5 460852365.4 636696840.9 419732881.2 474844384.1 528976751.9 450717465.8 394227032.9 381933664.6 305189047.1 313004435.7 435073123 762541822.1 569554184.9 619840416.7 703344976.9 309145270.4 359632771.3 514734273 388688107.2 393105542 534578080.8 370804174.8 410035658.4 413042073.4 447592278.4 492775022.4 1131203581 549402678.7 647613730.5 583820361 334779906.2 523184385.6 473054685.3 620953587.9 509916129.7 527799089.7 609201533.5 1365426004 808131032.9 731377440.5 371520899.8 837803387 600203931.4 440532449 329790070.8 375412934.2 523011435.4 534964685.1 793828601.6 583848597.8 540477742.3 998039888.6 631699313.2 578500395.8 443512110.1 562497376.3 631925637.1 565063937.2 737765798.1 255430395.2 457675614.1 661014117.7 510309643.5 793956855 283471489.8 438480756.1 342966374.2 379047430.2 304658686.8 572652097.6 458753550.7 326451226.3 963335622.2 708135094.9 413145336.7 401054051.8 732436211.1 636402358.8 1026431588 576615279.4 286600177.2 441088212.6 299092581.6 540418603.6 424868547.8 361663498.8 1291813461 357708258.6 766057027.1 475946107.9 459638826.8 548114700.3 475791923.4 673622155.5 205310728.4 374600702.8 1495713607 298423110.2 373194285 1382923686 365378166.7 960808076.3 394464036.7 1864078866 568091772.4 466538891.6 734885543 413549110.5 325979445.1 717019067.3 355683840.4 329249176.7 434431692.2 472355914.5 392150602.2 341633476.8 725705036.4 315536796.2 421212447.6 288982665.3 385884270.4 4896412492 363674725.8 384012920.2 240377286.9 308338783.9 424559705 309642782.8 398843244.5 1528755477 235189527.7 474011608.9 433698848.8 324040688.4 399256890.9 238774877.8 236324783.1 249743113.4 264245517.3 226679561.9 323675063.6 529109629.2 337870016.3 399778227.4 397059245 286864485.6 885832180.9 563586909.6 575108064.2 627667434.9 274187349.9 324204089.7 327794263.5 343628543.4 267124793.9 452668142.9 361709411.3 600722382.8 564700273.2 656772428.1 316928191.4 572340055.3 418816166.9 592142287 452861664.9 427149951.4 507765564.6 402587158.7 3100186949 1631886055 351785185.1 558018492.2 342730848.6 438134955.3 380349860.8 615321846.7 744029711.5 503504768.6 661002857.9 594354721 509364829.8 736701072.3 571531594 659550523 416013435.1 329876608.2 453195712.8 364143453.5 419071445.6 372405319 372110294.8 987248367.3 518147007.6 537229157.5 585386485.1 466167321.2 490012544.5 506155889.7 386769866.3 484773250.7 440100611.8 401200277.3 549501170.6 428344871.4 381523769.5 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Formula Calc. MW m/z RT [min] C14 H26 N2 O6 S C14 H26 N2 O6 S 350.15084 351.15812 8.714 C13 H18 N4 O9 C13 H18 N4 O9 374.10692 375.1142 11.474 C15 H38 N3 P3 S C15 H38 N3 P3 S 385.19916 386.20643 14.127 C16 H24 N6 O2 S C16 H24 N6 O2 S 364.16658 365.17386 8.215 C8 H17 N2 O2 P3 C8 H17 N2 O2 P3 266.05125 267.05853 6.888 C6 H11 N O11 C6 H11 N O11 273.03338 274.04066 12.226 C11 H21 N O9 C11 H21 N O9 311.1226 312.12988 3.729 C13 H23 N5 O3 C13 H23 N5 O3 297.17976 298.18703 11.924 C13 H19 N3 O8 C13 H19 N3 O8 345.11683 346.12411 8.669 C15 H20 O5 P2 S2 C15 H20 O5 P2 S2 406.02336 407.03064 12.228 C16 H31 O6 P3 C16 H31 O6 P3 412.13413 413.14141 7 C11 H15 N O7 C11 H15 N O7 273.0844 274.09206 8.333 C5 H12 O9 S3 C5 H12 O9 S3 311.96369 312.97096 12.249 C9 H2 N7 O2 P C9 H2 N7 O2 P 271.00042 272.0077 12.238 C12 H11 N5 S4 C12 H11 N5 S4 352.99008 353.99738 12.249 C6 H11 N10 O5 P C6 H11 N10 O5 P 334.06633 335.0736 10.847 (.+/-.)-1-Amino-2-propanol C3 H9 N O 75.06844 76.07572 5.719 (2-butyl-1H-imidazol-4-yl)methanol C8 H14 N2 O 154.11064 155.11792 2.663 1-carbapenem-3-carboxylic acid C7 H7 N O3 153.04257 154.04985 3.063 1-METHYL-L-HISTIDINE_peak1 C7 H11 N3 O2 169.08516 170.09244 7.679 1-METHYL-L-HISTIDINE_peak2 C7 H11 N3 O2 169.08518 170.09246 7.2 1-METHYLADENOSINE C11 H15 N5 O4 281.11221 282.11949 6.42 1-Methylguanine C6 H7 N5 O 165.06496 166.07224 4.563 1-Piperideine C5 H9 N 83.07346 84.08074 13.518 2-Amino-4-methylpyrimidine C5 H7 N3 109.06396 110.07123 8.904 2,4-Diacetamido-2,4,6-trideoxy-alpha-D-mannopyranose C10 H18 N2 O5 246.12145 247.12873 8.37 2,6-Diaminopimelic acid C7 H14 N2 O4 190.09542 191.1027 8.723 3-Buten-1-amine C4 H9 N 71.07353 72.0808 7.229 4-guanidinobutanal C5 H11 N3 O 129.09017 130.09745 14.071 4-Hydroxybenzaldehyde C7 H6 O2 122.03675 123.04403 7.654 4-Indolecarbaldehyde C9 H7 N O 145.05272 146.05999 6.314 5-guanidino-2-oxopentanoic acid C6 H11 N3 O3 173.0801 174.08738 8.558 5-Nitro-o-toluidine C7 H8 N2 O2 152.05862 153.0659 3.177 8-Methyl-8-azabicyclo[3.2.1]oct-3-yl (3S)-1,2-dithiolane-3-carboxylate C12 H19 N O2 S2 273.08457 274.09185 8.827 Acetylarginine C8 H16 N4 O3 216.12216 217.12944 9.064 acetylcarnitine C9 H17 N O4 203.11576 204.12304 5.78 afegostat C6 H13 N O3 147.08963 148.0969 6.904 Ala-Leu_peak1 C9 H18 N2 O3 202.13182 203.1391 7.389 Ala-Leu_peak2 C9 H18 N2 O3 202.13179 203.13907 6.911 Ala-Leu_peak3 C9 H18 N2 O3 202.13181 203.13909 8.25 alanine C3 H7 N O2 89.04767 90.05495 8.964 anserine C10 H16 N4 O3 240.12206 241.12934 8.675 apronalide C9 H16 N2 O2 184.12126 185.12854 2.269 arginine C6 H14 N4 O2 174.11171 175.11898 14.122 Argininosuccinic acid C10 H18 N4 O6 290.12237 291.12965 11.249 Aspartame C14 H18 N2 O5 294.12128 295.12858 7.193 asymmetric dimethylarginine (ADMA) C8 H18 N4 O2 202.14299 203.15027 11.454 b-Ala-Lys C9 H19 N3 O3 217.14263 218.14991 11.931 Benserazide C10 H15 N3 O5 257.10096 258.10824 8.118 Benzoxazolone C7 H5 N O2 135.03209 136.03936 3.065 betaine C5 H11 N O2 117.07902 118.0863 6.076 Butyrylcarnitine C11 H21 N O4 231.14689 232.15417 3.676 C5 Carnitines C12 H23 N O4 245.16254 246.16982 3.137 CAFFEINE C8 H10 N4 O2 194.08049 195.08777 2.211 carnitine C7 H15 N O3 161.10524 162.11251 7.88 cis-aconitate C6 H6 O6 174.01658 175.02385 12.239 citrate C6 H8 O7 192.02694 193.03443 12.222 Coumarin C9 H6 O2 146.03679 147.04407 7.656 Coumarone C8 H6 O 118.04189 119.04916 7.655 creatine C4 H9 N3 O2 131.06947 132.07675 8.942 creatinine C4 H7 N3 O 113.05891 114.06619 4.631 Creatinine degenerate C4 H7 N3 O 113.05894 114.06621 8.945 Cytarabine C9 H13 N3 O5 243.08542 244.0927 6.613 CYTOSINE C4 H5 N3 O 111.04327 112.05055 6.611 D-MANNOSAMINE_peak1 C6 H13 N O5 179.07949 180.08677 8.861 D-MANNOSAMINE_peak2 C6 H13 N O5 179.07948 180.08676 8.082 DEOXYCARNITINE C7 H15 N O2 145.11036 146.11764 7.93 Enilconazole C14 H14 Cl2 N2 O 296.04923 297.05651 12.228 epsilon-(gamma-Glutamyl)-lysine_peak1 C11 H21 N3 O5 275.14786 276.15514 10.657 epsilon-(gamma-Glutamyl)-lysine_peak2 C11 H21 N3 O5 275.14793 276.15521 11.607 Ergothioneine C9 H15 N3 O2 S 229.08839 230.09566 9.055 fructosylglycine C8 H15 N O7 237.08485 238.09212 12.228 gamma-Glu-gln C10 H17 N3 O6 275.11146 276.11874 10.305 gamma-thiomethyl glutamate C6 H11 N O4 S 193.04109 194.04836 7.201 glutamine C5 H10 N2 O3 146.06921 147.07649 9.381 Glycerol 3-Phosphate C3 H9 O6 P 172.01385 173.02112 10.123 GUANIDINOSUCCINATE C5 H9 N3 O4 175.05935 176.06663 10.423 histidine_peak1_main C6 H9 N3 O2 155.06952 156.0768 8.911 Histidine_peak2_tail C6 H9 N3 O2 155.06953 156.0768 9.969 Homo-L-arginine C7 H16 N4 O2 188.12737 189.13465 14.63 hypoxanthine C5 H4 N4 O 136.03849 137.04577 5.371 HYPOXANTHINE C5 H4 N4 O 136.03852 137.0458 6.091 Imidazoleacetic acid riboside C10 H14 N2 O6 258.08503 259.09231 8.543 inosine C10 H12 N4 O5 268.08068 269.08799 6.093 isoleucine_peak1 C6 H13 N O2 131.09467 132.10195 5.635 isoleucine_peak2 C6 H13 N O2 131.09469 132.10197 6.025 Lotaustralin C11 H19 N O6 261.12104 262.12832 8.561 Lysine C6 H14 N2 O2 146.10561 147.11289 13.542 meprobamate C9 H18 N2 O4 218.1266 219.13388 10.692 Methionine C5 H11 N O2 S 149.05115 150.05842 6.339 Methionine sulfoxide C5 H11 N O3 S 165.04608 166.05335 8.342 MW_119.07363@RT_4.869 C8 H9 N 119.07346 120.08073 5.025 MW_157.08491@RT_14.730 C6 H11 N3 O2 157.08507 158.09235 14.082 MW_168.05124@RT_9.211 C3 H4 N8 O 168.05109 169.05837 9.271 MW_174.13701@RT_11.700 C8 H18 N2 O2 174.13689 175.14417 11.301 MW_190.13188@RT_12.895 C8 H18 N2 O3 190.13181 191.13908 12.488 MW_202.04553@RT_10.899 C5 H2 N10 202.04553 203.05281 10.938 MW_202.04560@RT_8.570_peak1 C4 H6 N6 O4 202.0455 203.05278 9.101 MW_202.04560@RT_8.570_peak2 C4 H6 N6 O4 202.04546 203.05274 8.719 MW_202.04560@RT_8.570_peak3 C4 H6 N6 O4 202.04545 203.05273 8.067 MW_204.06106@RT_8.344 C12 H12 O S 204.06103 205.06831 8.477 MW_209.05389@RT_12.309 C6 H11 N O7 209.05373 210.061 12.242 MW_214.00902@RT_12.426 C4 H2 N6 O5 214.00894 215.01622 12.238 MW_234.08528@RT_10.482 C8 H14 N2 O6 234.08502 235.09229 10.589 MW_237.03086@RT_11.837 C7 H11 N O6 S 237.03069 238.03796 11.925 MW_245.17390@RT_13.884 C11 H23 N3 O3 245.17376 246.18103 13.543 MW_248.10084@RT_8.035 C9 H16 N2 O6 248.10062 249.1079 8.285 MW_251.12700@RT_13.437 C12 H17 N3 O3 251.12682 252.1341 12.955 MW_255.02293@RT_12.421 C7 H5 N5 O6 255.02285 256.03014 12.229 MW_259.16440@RT_13.840 C10 H21 N5 O3 259.16419 260.17147 14.265 MW_260.13723@RT_6.892 C11 H20 N2 O5 260.13703 261.1443 7.199 MW_261.09614@RT_10.638 C9 H15 N3 O6 261.09588 262.10316 10.489 MW_265.11614@RT_9.536 C10 H19 N O7 265.11603 266.12331 9.666 MW_275.13687@RT_8.241_peak1 C12 H21 N O6 275.13666 276.14394 8.013 MW_275.13687@RT_8.241_peak2 C12 H21 N O6 275.1367 276.14397 8.455 MW_276.14328@RT_10.109 C10 H20 N4 O5 276.14305 277.15033 10.179 MW_303.15421@RT_11.641 C11 H21 N5 O5 303.15399 304.16126 11.602 MW_317.19506@RT_10.543 C14 H27 N3 O5 317.19479 318.20207 10.582 MW_321.06935@RT_13.815 C11 H15 N O10 321.06943 322.07671 13.728 MW_337.04306@RT_8.590 C8 H17 Br N7 O P 337.0428 338.05008 8.956 MW_349.14850@RT_11.449 C13 H23 N3 O8 349.14828 350.15556 11.437 MW_357.19331@RT_14.065 C14 H27 N7 O2 S 357.19329 358.20057 13.576 MW_368.24240@RT_12.676 C18 H32 N4 O4 368.24211 369.24939 12.443 MW_443.14288@RT_7.567 C15 H31 N3 O6 P2 S 443.14283 444.1501 7.654 MW_83.03722@RT_9.319 C4 H5 N O 83.03706 84.04434 9.414 N-Acetyl-1-aspartylglutamic acid C11 H16 N2 O8 304.0903 305.0976 11.432 N-Acetyl-L-histidine C8 H11 N3 O3 197.08017 198.08745 7.039 N-ACETYLASPARAGINE C6 H10 N2 O4 174.06418 175.07147 7.369 N-acetyllysine C8 H16 N2 O3 188.11618 189.12346 7.506 N-ACETYLNEURAMINATE C11 H19 N O9 309.10573 310.11303 8.908 N-Acetylnorvaline C7 H13 N O3 159.08962 160.0969 6.954 N-Benzylformamide C8 H9 N O 135.06847 136.07575 7.653 N-METHYLGLUTAMATE C6 H11 N O4 161.06884 162.07612 8.571 N,N,N-TRIMETHYLLYSINE C9 H20 N2 O2 188.15252 189.1598 12.238 N~2~-Acetyl-L-ornithine C7 H14 N2 O3 174.10052 175.1078 8.082 N4-Acetylcytidine C11 H15 N3 O6 285.09589 286.10317 3.536 N6-METHYLLYSINE C7 H16 N2 O2 160.12126 161.12853 12.872 Nitrosoguvacoline C7 H10 N2 O3 170.06903 171.0763 9.432 NPYR C4 H8 N2 O 100.06363 101.0709 9.417 Ornithine C5 H12 N2 O2 132.08996 133.09723 12.526 OXOPROLINE/PYROGLUTAMATE C5 H7 N O3 129.04269 130.04997 7.166 p-aminobenzoate C7 H7 N O2 137.0477 138.05497 6.499 Phenylacetyl glutamine C13 H16 N2 O4 264.11083 265.11812 3.04 phenylalanine C9 H11 N O2 165.07901 166.08629 5.023 phosphocholine C5 H14 N O4 P 183.06611 184.07338 9.864 Pipecolinic acid C6 H11 N O2 129.07907 130.08634 7.01 Pipecolinic acid degenerate_peak1 C6 H11 N O2 129.07903 130.08631 13.529 Pipecolinic acid degenerate_peak2 C6 H11 N O2 129.07907 130.08635 5.903 Piperidine_peak1 C5 H11 N 85.08907 86.09634 5.608 Piperidine_peak2 C5 H11 N 85.08909 86.09636 6.032 Pirbuterol_peak1 C12 H20 N2 O3 240.14716 241.15444 4.691 Pirbuterol_peak2 C12 H20 N2 O3 240.14731 241.15459 7.433 Pregabalin C8 H17 N O2 159.12612 160.13339 7.889 Pro-Hyp C10 H16 N2 O4 228.11087 229.11815 9.229 Prolinamide C5 H10 N2 O 114.07941 115.08669 12.524 Proline degenerate C5 H9 N O2 115.0634 116.07068 12.53 Prolylleucine C11 H20 N2 O3 228.1473 229.15458 7.666 Pyridoxine C8 H11 N O3 169.07391 170.08118 3.444 Pyroglutamic Acid C5 H7 N O3 129.04262 130.0499 9.398 saccharopine_unc C11 H20 N2 O6 276.13186 277.13914 10.537 serine C3 H7 N O3 105.04263 106.04991 9.751 ST2975000 C6 H7 N3 O2 153.0538 154.06108 3.531 Stachydrine_peak1 C7 H13 N O2 143.09469 144.10196 12.822 Stachydrine_peak2 C7 H13 N O2 143.09466 144.10193 5.511 Succinyladenosine C14 H17 N5 O8 383.10727 384.11454 9.757 THEOPHYLLINE C7 H8 N4 O2 180.06476 181.07204 2.726 threonine C4 H9 N O3 119.0583 120.06557 8.9 Tilarginine C7 H16 N4 O2 188.1274 189.13468 12.702 trans-3-Indoleacrylic acid C11 H9 N O2 187.06333 188.0706 6.32 Tryptophan C11 H12 N2 O2 204.08994 205.09722 6.323 Tyrosine C9 H11 N O3 181.07403 182.0813 7.65 Valine C5 H11 N O2 117.07904 118.08632 7.228 METABOLITES_END #END