#METABOLOMICS WORKBENCH mjayaram_20230303_090215 DATATRACK_ID:3773 STUDY_ID:ST002555 ANALYSIS_ID:AN004207 PROJECT_ID:PR001647 VERSION 1 CREATED_ON April 11, 2023, 9:30 am #PROJECT PR:PROJECT_TITLE Ethnicity-Specific Differences in Ovarian Cancer Metabolic Signatures PR:PROJECT_TYPE Cell line analysis PR:PROJECT_SUMMARY Ovarian cancer is a leading cause of cancer-related deaths among women PR:PROJECT_SUMMARY worldwide. Cancer cell metabolism plays a critical role in tumor growth and PR:PROJECT_SUMMARY progression, and metabolic alterations in cancer cells have been implicated in PR:PROJECT_SUMMARY treatment resistance. In this study, we performed metabolomic analysis using PR:PROJECT_SUMMARY ovarian cancer cells derived from patients in the United States and Korea. Our PR:PROJECT_SUMMARY results reveal significant ethnic-specific differences in the metabolic PR:PROJECT_SUMMARY signatures of ovarian cancer cells, with differential regulation of metabolites PR:PROJECT_SUMMARY derived from glycolytic pathways, lipid metabolism, and microbiome modified PR:PROJECT_SUMMARY metabolites. These findings have important therapeutic implications, as PR:PROJECT_SUMMARY differences in ovarian cancer metabolism between ethnic groups may influence PR:PROJECT_SUMMARY treatment response and resistance. Targeting the unique metabolic signatures of PR:PROJECT_SUMMARY ovarian cancer cells based on ethnic specificity may improve the effectiveness PR:PROJECT_SUMMARY of precision medicine approaches in the treatment of ovarian cancer. This study PR:PROJECT_SUMMARY highlights the potential for personalized and targeted therapeutic options based PR:PROJECT_SUMMARY on the tumor metabolome and ethnic background of the patient. Overall, our PR:PROJECT_SUMMARY results suggest that investigating ethnic-specific differences in cancer PR:PROJECT_SUMMARY metabolism is critical for developing effective and personalized cancer PR:PROJECT_SUMMARY therapies. The identification of unique metabolic signatures in ovarian cancer PR:PROJECT_SUMMARY cells based on ethnic specificity provides a promising avenue for improving PR:PROJECT_SUMMARY treatment outcomes and advancing the field of precision medicine in ovarian PR:PROJECT_SUMMARY cancer. PR:INSTITUTE University of Oklahoma Health Sciences Center PR:DEPARTMENT Cell Biology PR:LABORATORY Danny N Dhanasekaran PR:LAST_NAME Jayaraman PR:FIRST_NAME Muralidharan PR:ADDRESS 975 NE 10th street BRC1468 Oklahoma City OK 73104 PR:EMAIL Muralidharan-Jayaraman@ouhsc.edu PR:PHONE 405-271-8001 x30492 PR:CONTRIBUTORS Danny N. Dhanasekaran, Jihee Ha, Yong Sang Song #STUDY ST:STUDY_TITLE Ethnicity-Specific Differences in Ovarian Cancer Metabolic Signatures ST:STUDY_TYPE Cultured cells ST:STUDY_SUMMARY Ovarian cancer is a leading cause of cancer-related deaths among women ST:STUDY_SUMMARY worldwide. Cancer cell metabolism plays a critical role in tumor growth and ST:STUDY_SUMMARY progression, and metabolic alterations in cancer cells have been implicated in ST:STUDY_SUMMARY treatment resistance. In this study, we performed metabolomic analysis using ST:STUDY_SUMMARY ovarian cancer cells derived from patients in the United States and Korea. Our ST:STUDY_SUMMARY results reveal significant ethnic-specific differences in the metabolic ST:STUDY_SUMMARY signatures of ovarian cancer cells, with differential regulation of metabolites ST:STUDY_SUMMARY derived from glycolytic pathways, lipid metabolism, and microbiome modified ST:STUDY_SUMMARY metabolites. These findings have important therapeutic implications, as ST:STUDY_SUMMARY differences in ovarian cancer metabolism between ethnic groups may influence ST:STUDY_SUMMARY treatment response and resistance. Targeting the unique metabolic signatures of ST:STUDY_SUMMARY ovarian cancer cells based on ethnic specificity may improve the effectiveness ST:STUDY_SUMMARY of precision medicine approaches in the treatment of ovarian cancer. This study ST:STUDY_SUMMARY highlights the potential for personalized and targeted therapeutic options based ST:STUDY_SUMMARY on the tumor metabolome and ethnic background of the patient. Overall, our ST:STUDY_SUMMARY results suggest that investigating ethnic-specific differences in cancer ST:STUDY_SUMMARY metabolism is critical for developing effective and personalized cancer ST:STUDY_SUMMARY therapies. The identification of unique metabolic signatures in ovarian cancer ST:STUDY_SUMMARY cells based on ethnic specificity provides a promising avenue for improving ST:STUDY_SUMMARY treatment outcomes and advancing the field of precision medicine in ovarian ST:STUDY_SUMMARY cancer. ST:INSTITUTE University of Oklahoma Health Sciences Center ST:DEPARTMENT Cell Biology ST:LABORATORY Danny N. Dhanasekaran ST:LAST_NAME Jayaraman ST:FIRST_NAME Muralidharan ST:ADDRESS 975 NE 10th street BRC1468 Oklahoma City OK 73104 ST:EMAIL Muralidharan-Jayaraman@ouhsc.edu ST:PHONE 405-271-8001 x30492 ST:NUM_GROUPS 3 ST:TOTAL_SUBJECTS 48 ST:NUM_FEMALES 12 ST:STUDY_COMMENTS Ovarian cancer cell lines #SUBJECT SU:SUBJECT_TYPE Cultured cells SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:GENDER Female SU:CELL_BIOSOURCE_OR_SUPPLIER SNU3297 and SNU3298, and patient-derived ovarian cancer cells, A#5, A#8, A#39 SU:CELL_BIOSOURCE_OR_SUPPLIER were from Seoul National University, Seoul, South Korea. Patient-derived ovarian SU:CELL_BIOSOURCE_OR_SUPPLIER cancer cells, ASC110515, ASC102315, ASC061616, ASC060915, ASC062915B and SU:CELL_BIOSOURCE_OR_SUPPLIER ASC011215 were from Stephenson Cancer Center, University of Oklahoma Health SU:CELL_BIOSOURCE_OR_SUPPLIER Sciences Center, Oklahoma City, Oklahoma, USA. SU:CELL_PASSAGE_NUMBER 3 to 5 SU:CELL_COUNTS 20 million cells #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 FTE188 OUHSCPD-1 Genotype:FTE (Normal) SUBJECT_SAMPLE_FACTORS FTE188 OUHSCPD-2 Genotype:FTE (Normal) SUBJECT_SAMPLE_FACTORS FTE188 OUHSCPD-3 Genotype:FTE (Normal) SUBJECT_SAMPLE_FACTORS FTE188 OUHSCPD-4 Genotype:FTE (Normal) SUBJECT_SAMPLE_FACTORS SNU3297 OUHSCPD-5 Genotype:FTE (Normal) SUBJECT_SAMPLE_FACTORS SNU3297 OUHSCPD-6 Genotype:FTE (Normal) SUBJECT_SAMPLE_FACTORS SNU3297 OUHSCPD-7 Genotype:FTE (Normal) SUBJECT_SAMPLE_FACTORS SNU3297 OUHSCPD-8 Genotype:FTE (Normal) SUBJECT_SAMPLE_FACTORS SNU3298 OUHSCPD-9 Genotype:FTE (Normal) SUBJECT_SAMPLE_FACTORS SNU3298 OUHSCPD-10 Genotype:FTE (Normal) SUBJECT_SAMPLE_FACTORS SNU3298 OUHSCPD-11 Genotype:FTE (Normal) SUBJECT_SAMPLE_FACTORS SNU3298 OUHSCPD-12 Genotype:FTE (Normal) SUBJECT_SAMPLE_FACTORS ASC110515 OUHSCPD-13 Genotype:SCC-PDOCC (Cancer) SUBJECT_SAMPLE_FACTORS ASC110515 OUHSCPD-14 Genotype:SCC-PDOCC (Cancer) SUBJECT_SAMPLE_FACTORS ASC110515 OUHSCPD-15 Genotype:SCC-PDOCC (Cancer) SUBJECT_SAMPLE_FACTORS ASC110515 OUHSCPD-16 Genotype:SCC-PDOCC (Cancer) SUBJECT_SAMPLE_FACTORS ASC102315 OUHSCPD-17 Genotype:SCC-PDOCC (Cancer) SUBJECT_SAMPLE_FACTORS ASC102315 OUHSCPD-18 Genotype:SCC-PDOCC (Cancer) SUBJECT_SAMPLE_FACTORS ASC102315 OUHSCPD-19 Genotype:SCC-PDOCC (Cancer) SUBJECT_SAMPLE_FACTORS ASC102315 OUHSCPD-20 Genotype:SCC-PDOCC (Cancer) SUBJECT_SAMPLE_FACTORS ASC061616 OUHSCPD-21 Genotype:SCC-PDOCC (Cancer) SUBJECT_SAMPLE_FACTORS ASC061616 OUHSCPD-22 Genotype:SCC-PDOCC (Cancer) SUBJECT_SAMPLE_FACTORS ASC061616 OUHSCPD-23 Genotype:SCC-PDOCC (Cancer) SUBJECT_SAMPLE_FACTORS ASC061616 OUHSCPD-24 Genotype:SCC-PDOCC (Cancer) SUBJECT_SAMPLE_FACTORS ASC060915 OUHSCPD-25 Genotype:SCC-PDOCC (Cancer) SUBJECT_SAMPLE_FACTORS ASC060915 OUHSCPD-26 Genotype:SCC-PDOCC (Cancer) SUBJECT_SAMPLE_FACTORS ASC060915 OUHSCPD-27 Genotype:SCC-PDOCC (Cancer) SUBJECT_SAMPLE_FACTORS ASC060915 OUHSCPD-28 Genotype:SCC-PDOCC (Cancer) SUBJECT_SAMPLE_FACTORS ASC062915B OUHSCPD-29 Genotype:SCC-PDOCC (Cancer) SUBJECT_SAMPLE_FACTORS ASC062915B OUHSCPD-30 Genotype:SCC-PDOCC (Cancer) SUBJECT_SAMPLE_FACTORS ASC062915B OUHSCPD-31 Genotype:SCC-PDOCC (Cancer) SUBJECT_SAMPLE_FACTORS ASC062915B OUHSCPD-32 Genotype:SCC-PDOCC (Cancer) SUBJECT_SAMPLE_FACTORS ASC011215 OUHSCPD-33 Genotype:SCC-PDOCC (Cancer) SUBJECT_SAMPLE_FACTORS ASC011215 OUHSCPD-34 Genotype:SCC-PDOCC (Cancer) SUBJECT_SAMPLE_FACTORS ASC011215 OUHSCPD-35 Genotype:SCC-PDOCC (Cancer) SUBJECT_SAMPLE_FACTORS ASC011215 OUHSCPD-36 Genotype:SCC-PDOCC (Cancer) SUBJECT_SAMPLE_FACTORS A#5 OUHSCPD-37 Genotype:SNU-PDOCC (Cancer) SUBJECT_SAMPLE_FACTORS A#5 OUHSCPD-38 Genotype:SNU-PDOCC (Cancer) SUBJECT_SAMPLE_FACTORS A#5 OUHSCPD-39 Genotype:SNU-PDOCC (Cancer) SUBJECT_SAMPLE_FACTORS A#5 OUHSCPD-40 Genotype:SNU-PDOCC (Cancer) SUBJECT_SAMPLE_FACTORS A#8 OUHSCPD-41 Genotype:SNU-PDOCC (Cancer) SUBJECT_SAMPLE_FACTORS A#8 OUHSCPD-42 Genotype:SNU-PDOCC (Cancer) SUBJECT_SAMPLE_FACTORS A#8 OUHSCPD-43 Genotype:SNU-PDOCC (Cancer) SUBJECT_SAMPLE_FACTORS A#8 OUHSCPD-44 Genotype:SNU-PDOCC (Cancer) SUBJECT_SAMPLE_FACTORS A#39 OUHSCPD-45 Genotype:SNU-PDOCC (Cancer) SUBJECT_SAMPLE_FACTORS A#39 OUHSCPD-46 Genotype:SNU-PDOCC (Cancer) SUBJECT_SAMPLE_FACTORS A#39 OUHSCPD-47 Genotype:SNU-PDOCC (Cancer) SUBJECT_SAMPLE_FACTORS A#39 OUHSCPD-48 Genotype:SNU-PDOCC (Cancer) #COLLECTION CO:COLLECTION_SUMMARY Immortalized normal fallopian-tube-derived epithelial (FTE) cells, FTE188 were CO:COLLECTION_SUMMARY maintained in MCDB105: M199 (1:1) medium (Thermo Fisher Scientific, Waltham, CO:COLLECTION_SUMMARY MA), SNU3297 and SNU3298 were maintained in DMEM/F12 medium (Thermo Fisher CO:COLLECTION_SUMMARY Scientific, Waltham, MA). Patient-derived ovarian cancer cells isolated at CO:COLLECTION_SUMMARY Stephenson Cancer Center (SCC-PDOCC), ASC110515, ASC102315, ASC061616, CO:COLLECTION_SUMMARY ASC060915, ASC062915B and ASC011215, were maintained in MCDB105: DMEM (1:1) CO:COLLECTION_SUMMARY medium (Thermo Fisher Scientific, Waltham, MA). Patient-derived ovarian cancer CO:COLLECTION_SUMMARY cells isolated from Seoul National University (SNU-PDOCC), A#5, A#8, A#39 were CO:COLLECTION_SUMMARY maintained in DMEM/F12 medium. All cells were maintained at 37°C in a 5% CO2 CO:COLLECTION_SUMMARY incubator. All media were supplemented with 10% FBS (Gemini Bio-Products, West CO:COLLECTION_SUMMARY Sacramento, CA), 50 U/mL penicillin, 50 μg/ml streptomycin (Cellgro, Manassas, CO:COLLECTION_SUMMARY VA). Cells were grown to 20 million cells and washed with cold PBS. Cells were CO:COLLECTION_SUMMARY collected by scraping them off the plates. CO:SAMPLE_TYPE Cultured cells CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY No treatment was done. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Samples were prepared using the automated MicroLab STAR® system from Hamilton SP:SAMPLEPREP_SUMMARY Company. Several recovery standards were added prior to the first step in the SP:SAMPLEPREP_SUMMARY extraction process for QC purposes. In order to dissociate small molecules bound SP:SAMPLEPREP_SUMMARY to or trapped in proteins, lysate was precipitated with methanol under vigorous SP:SAMPLEPREP_SUMMARY shaking for 2 min (Glen Mills GenoGrinder 2000) followed by centrifugation. The SP:SAMPLEPREP_SUMMARY resulting extract was divided into five fractions: two for analysis by two SP:SAMPLEPREP_SUMMARY separate reverse phase (RP)/UPLC-MS/MS methods with positive ion mode SP:SAMPLEPREP_SUMMARY electrospray ionization (ESI), one for analysis by RP/UPLC-MS/MS with negative SP:SAMPLEPREP_SUMMARY ion mode ESI, one for analysis by HILIC/UPLC-MS/MS with negative ion mode ESI, SP:SAMPLEPREP_SUMMARY and one sample was reserved for backup. Samples were placed briefly on a SP:SAMPLEPREP_SUMMARY TurboVap® (Zymark) to remove the organic solvent. The sample extracts were SP:SAMPLEPREP_SUMMARY stored overnight under nitrogen before preparation for analysis. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY All methods utilized a Waters ACQUITY CH:CHROMATOGRAPHY_SUMMARY ultra-performance liquid chromatography (UPLC) and a Thermo Scientific CH:CHROMATOGRAPHY_SUMMARY Q-Exactive high resolution/accurate mass spectrometer interfaced with a heated CH:CHROMATOGRAPHY_SUMMARY electrospray ionization (HESI-II) source and Orbitrap mass analyzer operated at CH:CHROMATOGRAPHY_SUMMARY 35,000 mass resolution. The sample extract was dried then reconstituted in CH:CHROMATOGRAPHY_SUMMARY solvents compatible to each of the four methods. Each reconstitution solvent CH:CHROMATOGRAPHY_SUMMARY contained a series of standards at fixed concentrations to ensure injection and CH:CHROMATOGRAPHY_SUMMARY chromatographic consistency. One aliquot was analyzed using acidic positive ion CH:CHROMATOGRAPHY_SUMMARY conditions, chromatographically optimized for more hydrophilic compounds. In CH:CHROMATOGRAPHY_SUMMARY this method, the extract was gradient eluted from a C18 column (Waters UPLC BEH CH:CHROMATOGRAPHY_SUMMARY C18-2.1x100 mm, 1.7 µm) using water and methanol, containing 0.05% CH:CHROMATOGRAPHY_SUMMARY perfluoropentanoic acid (PFPA) and 0.1% formic acid (FA). Another aliquot was CH:CHROMATOGRAPHY_SUMMARY also analyzed using acidic positive ion conditions, however it was CH:CHROMATOGRAPHY_SUMMARY chromatographically optimized for more hydrophobic compounds. In this method, CH:CHROMATOGRAPHY_SUMMARY the extract was gradient eluted from the same afore mentioned C18 column using CH:CHROMATOGRAPHY_SUMMARY methanol, acetonitrile, water, 0.05% PFPA and 0.01% FA and was operated at an CH:CHROMATOGRAPHY_SUMMARY overall higher organic content. Another aliquot was analyzed using basic CH:CHROMATOGRAPHY_SUMMARY negative ion optimized conditions using a separate dedicated C18 column. The CH:CHROMATOGRAPHY_SUMMARY basic extracts were gradient eluted from the column using methanol and water, CH:CHROMATOGRAPHY_SUMMARY however with 6.5mM Ammonium Bicarbonate at pH 8. The fourth aliquot was analyzed CH:CHROMATOGRAPHY_SUMMARY via negative ionization following elution from a HILIC column (Waters UPLC BEH CH:CHROMATOGRAPHY_SUMMARY Amide 2.1x150 mm, 1.7 µm) using a gradient consisting of water and acetonitrile CH:CHROMATOGRAPHY_SUMMARY with 10mM Ammonium Formate, pH 10.8. The MS analysis alternated between MS and CH:CHROMATOGRAPHY_SUMMARY data-dependent MSn scans using dynamic exclusion. The scan range varied slighted CH:CHROMATOGRAPHY_SUMMARY between methods but covered 70-1000 m/z. Raw data files are archived and CH:CHROMATOGRAPHY_SUMMARY extracted as described below. CH:CHROMATOGRAPHY_TYPE Reversed phase/HILIC CH:INSTRUMENT_NAME Waters Acquity CH:COLUMN_NAME Waters Acquity BEH C18 (100 x 2mm, 1.7um)/Waters Acquity BEH Amide (150 x 2.1mm, 1.7um) CH:SOLVENT_A - CH:SOLVENT_B - CH:FLOW_GRADIENT - CH:FLOW_RATE - CH:COLUMN_TEMPERATURE - #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE UNSPECIFIED MS:MS_COMMENTS A detailed description of data processing including chromatographic alignment, MS:MS_COMMENTS QC practices, and compound identification has been described previously (PMID: MS:MS_COMMENTS 19624122, 20955607, 30242936). Missing values, if any, were imputed with the MS:MS_COMMENTS minimum observed value for each compound and the resulting data was median MS:MS_COMMENTS scaled. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Fold change over standard MS_METABOLITE_DATA_START Samples OUHSCPD-1 OUHSCPD-2 OUHSCPD-3 OUHSCPD-4 OUHSCPD-5 OUHSCPD-6 OUHSCPD-7 OUHSCPD-8 OUHSCPD-9 OUHSCPD-10 OUHSCPD-11 OUHSCPD-12 OUHSCPD-13 OUHSCPD-14 OUHSCPD-15 OUHSCPD-16 OUHSCPD-17 OUHSCPD-18 OUHSCPD-19 OUHSCPD-20 OUHSCPD-21 OUHSCPD-22 OUHSCPD-23 OUHSCPD-24 OUHSCPD-25 OUHSCPD-26 OUHSCPD-27 OUHSCPD-28 OUHSCPD-29 OUHSCPD-30 OUHSCPD-31 OUHSCPD-32 OUHSCPD-33 OUHSCPD-34 OUHSCPD-35 OUHSCPD-36 OUHSCPD-37 OUHSCPD-38 OUHSCPD-39 OUHSCPD-40 OUHSCPD-41 OUHSCPD-42 OUHSCPD-43 OUHSCPD-44 OUHSCPD-45 OUHSCPD-46 OUHSCPD-47 OUHSCPD-48 Factors Genotype:FTE (Normal) Genotype:FTE (Normal) Genotype:FTE (Normal) Genotype:FTE (Normal) Genotype:FTE (Normal) Genotype:FTE (Normal) Genotype:FTE (Normal) Genotype:FTE (Normal) Genotype:FTE (Normal) Genotype:FTE (Normal) Genotype:FTE (Normal) Genotype:FTE (Normal) Genotype:SCC-PDOCC (Cancer) Genotype:SCC-PDOCC (Cancer) Genotype:SCC-PDOCC (Cancer) Genotype:SCC-PDOCC (Cancer) Genotype:SCC-PDOCC (Cancer) Genotype:SCC-PDOCC (Cancer) Genotype:SCC-PDOCC (Cancer) Genotype:SCC-PDOCC (Cancer) Genotype:SCC-PDOCC (Cancer) Genotype:SCC-PDOCC (Cancer) Genotype:SCC-PDOCC (Cancer) Genotype:SCC-PDOCC (Cancer) Genotype:SCC-PDOCC (Cancer) Genotype:SCC-PDOCC (Cancer) Genotype:SCC-PDOCC (Cancer) Genotype:SCC-PDOCC (Cancer) Genotype:SCC-PDOCC (Cancer) Genotype:SCC-PDOCC (Cancer) Genotype:SCC-PDOCC (Cancer) Genotype:SCC-PDOCC (Cancer) Genotype:SCC-PDOCC (Cancer) Genotype:SCC-PDOCC (Cancer) Genotype:SCC-PDOCC (Cancer) Genotype:SCC-PDOCC (Cancer) Genotype:SNU-PDOCC (Cancer) Genotype:SNU-PDOCC (Cancer) Genotype:SNU-PDOCC (Cancer) Genotype:SNU-PDOCC (Cancer) Genotype:SNU-PDOCC (Cancer) Genotype:SNU-PDOCC (Cancer) Genotype:SNU-PDOCC (Cancer) Genotype:SNU-PDOCC (Cancer) Genotype:SNU-PDOCC (Cancer) Genotype:SNU-PDOCC (Cancer) Genotype:SNU-PDOCC (Cancer) Genotype:SNU-PDOCC (Cancer) (14 or 15)-methylpalmitate (a17:0 or i17:0) 0.7662 1.6831 1.0684 2.4229 3.0331 0.7117 0.8815 0.7799 0.5075 0.8468 0.7185 0.613 1.2431 1.4142 1.289 3.9167 0.9339 2.0317 1.2486 1.6756 0.8806 0.9339 0.8767 6.3387 1.2352 1.8666 1.3163 0.9566 0.6159 6.575 1.4213 9.5593 0.3911 1.1938 0.904 0.8504 0.8748 0.6602 0.5344 0.7894 0.8891 1.3755 1.1448 0.6201 1.0434 1.0855 0.5668 1.0683 (16 or 17)-methylstearate (a19:0 or i19:0) 1.0223 1.8647 1.0892 3.0401 1.8541 0.5543 0.7014 0.6201 0.4559 0.7764 0.672 0.5947 1.3911 1.4954 1.6296 4.4684 0.8455 2.0388 1.4372 2.0937 0.8472 0.8993 0.7051 4.3023 0.8744 1.3866 1.4508 1.5934 0.5285 6.3818 1.3996 8.0576 0.5295 1.3241 1.0394 1.0249 0.7635 0.6711 0.5439 0.7688 0.8489 1.2286 1.0314 0.7042 0.9052 0.9777 0.5508 0.9005 (R)-3-hydroxybutyrylcarnitine 1.7606 1.6156 1.3281 1.587 1.0172 0.8145 0.8242 0.6546 0.5333 0.4185 0.7487 0.8032 4.145 4.4441 1.3007 0.8205 0.9598 0.8054 0.6988 0.6263 1.2489 0.8769 0.8883 0.9828 0.8785 0.6176 0.8578 1.2906 0.3649 1.2614 1.4109 1.2304 0.7861 0.5527 0.9316 0.771 1.6451 1.2197 1.245 1.1729 1.2139 1.1652 1.0815 0.9269 2.2585 2.3346 2.2275 2.8458 (S)-3-hydroxybutyrylcarnitine 2.9466 3.1976 2.4358 2.4366 0.7262 0.8508 0.8544 0.8916 0.479 0.479 0.7983 0.919 18.9936 17.4545 1.2876 0.9321 0.7935 0.9553 0.479 0.479 0.6677 0.6687 0.9493 0.8878 1.0065 0.479 0.7001 1.0237 0.479 1 0.7728 0.9066 0.8277 0.9602 0.6002 0.7608 2.9709 2.303 1.9246 2.3128 2.86 2.956 2.2947 2.395 1.7924 1.9691 2.0586 3.3214 1,2-dilinoleoyl-GPC (18:2/18:2) 0.84 1.0106 0.6062 1.0041 0.9695 1.0887 1.1824 1.2668 0.5056 0.6945 0.9833 1.2398 1.796 1.7694 1.2913 0.853 1.3872 1.1055 1.0309 1.1363 1.1318 1.066 1.1474 1.7575 1.1347 1.1588 0.9959 0.8133 1.1778 1.3997 0.8687 1.1813 0.6576 0.5859 0.8041 0.7298 0.6114 0.6197 0.4626 0.5009 1.1604 1.1343 0.8575 0.8232 0.8401 0.8847 0.8401 0.5797 1,2-dilinoleoyl-GPE (18:2/18:2)* 1.0705 1.4589 1.2715 1.0271 1.268 1.2121 1.7148 1.3446 0.5986 0.6004 0.9729 1.0446 1.6634 1.8424 0.8011 0.4894 0.6562 0.6767 0.5901 0.5373 1.7649 1.9281 1.3745 2.7785 0.6514 0.6596 0.615 0.3026 0.6324 0.5199 0.4082 0.6962 0.6364 0.74 0.8017 0.775 0.3026 0.3026 0.3026 0.5687 2.275 2.4505 0.3026 1.8939 5.5517 5.1154 5.456 4.0567 1,2-dioleoyl-GPC (18:1/18:1) 1.0057 1.0359 0.7831 0.9413 0.9676 0.9379 0.9726 1.0078 0.8497 0.9085 0.8423 0.8892 0.9283 0.8021 1.3843 1.0527 1.4168 1.225 0.9364 0.8619 1.6867 1.7196 1.2212 1.5981 1.2984 1.3532 0.628 1.0242 0.9329 1.2238 1.2254 1.2178 1.1415 1.113 0.9687 0.9117 0.8495 0.8368 0.8684 0.8694 1.1928 1.22 0.8843 0.9068 1.2403 1.2004 1.2218 0.9943 1,2-dioleoyl-GPE (18:1/18:1) 1.0476 1.0761 1.0352 0.9787 1.0595 1.039 1.0158 0.9902 0.6708 0.828 0.7938 0.8383 1.0075 0.9457 1.4413 0.7977 0.9911 0.9349 0.5841 0.6106 1.5521 1.5967 1.2274 1.5526 0.9267 0.9344 0.4472 0.731 0.7441 0.8897 0.7489 0.8401 0.9875 0.9925 0.7994 0.7472 1.3476 1.2594 1.1645 1.1721 1.4137 1.4073 1.0968 1.0866 2.5103 2.5824 2.5873 2.115 1,2-dioleoyl-GPI (18:1/18:1) 0.5206 0.5661 0.5956 0.9959 0.7247 0.6297 0.6299 0.621 0.4109 0.5786 0.4202 0.4887 0.4498 0.4463 2.0674 0.9455 0.8306 1.1343 0.9478 0.9622 1.5606 1.7315 1.6778 2.0643 0.8622 0.8632 0.8915 1.338 0.364 1.1246 0.7701 1.1085 1.2155 1.2381 1.0831 0.9338 1.143 1.0041 1.2474 1.1354 2.2308 2.3465 1.5364 1.4337 1.7522 1.7587 1.5973 1.5246 1,2-dipalmitoleoyl-GPE (16:1/16:1)* 0.2729 0.2345 0.371 0.3044 2.1444 2.1555 2.1362 2.1364 0.6029 0.7528 0.7616 0.7467 1.2035 1.0671 1.7321 0.4182 0.7361 0.524 0.433 0.3965 1.3267 1.4776 1.6322 1.4816 0.84 0.8416 0.2133 0.247 0.6195 0.6659 0.5278 0.734 0.9218 1.0215 0.9785 0.9375 6.5612 6.3703 5.677 4.7531 9.8022 10.2054 5.7045 5.8926 21.7909 22.48 21.2977 13.2788 1,2-dipalmitoyl-GPC (16:0/16:0) 0.7101 0.7274 0.8197 0.943 0.9999 1.0086 1.0521 1.0255 0.9186 1.054 1.109 1.1979 1.1406 1.0568 0.9705 0.8452 1.0291 1.0001 1.2512 1.2514 0.6515 0.6923 0.7607 0.9732 0.8337 0.8408 1.3472 1.1153 0.6376 1.0225 0.9387 1.1686 0.4737 0.4687 0.5424 0.5388 1.6588 1.5826 1.4124 1.3904 0.814 0.8459 0.9524 0.9164 1.0699 1.0874 1.0783 1.0384 1,2-dipalmitoyl-GPE (16:0/16:0)* 0.5528 0.6188 0.7242 0.8131 0.8355 0.8092 0.7959 0.7952 0.5955 0.8099 0.7836 0.8177 1.0008 0.9814 1.2201 1.0452 1.1911 1.3323 1.7169 1.8493 0.688 0.6981 0.8753 1.2154 0.9992 0.9707 1.854 2.2359 0.4854 1.1077 0.8932 1.1018 0.7229 0.7062 0.8274 0.7718 2.2967 2.2707 2.6454 2.3563 1.6502 1.6485 1.8832 1.8328 1.2386 1.2695 1.1893 1.0871 1,2-dipalmitoyl-GPG (16:0/16:0) 0.1402 0.4834 1.2114 1.5978 0.2734 1 0.9068 0.7685 0.1402 0.1402 0.1402 0.1402 0.1402 0.1402 0.1402 0.1402 0.1402 0.1402 0.1402 0.1402 0.1402 0.1402 0.1402 0.1402 0.1402 0.1402 0.1402 0.1402 0.1402 0.1402 0.1402 0.1402 0.5292 0.4948 0.9011 0.1402 1.1072 0.8253 0.7922 0.5127 1.6446 1.5171 1.6332 1.785 1.9804 2.0653 1.1097 1.7141 1,2-dipalmitoyl-GPI (16:0/16:0)* 0.1886 0.1886 0.1886 0.1886 2.6836 2.3326 2.7809 2.4545 0.3205 0.305 0.8673 1.4608 0.1886 0.1886 0.1886 0.1886 0.1886 0.1886 0.1886 0.1886 0.1886 0.2087 0.1886 0.1886 0.1886 0.1886 0.1886 0.1886 0.1886 0.1886 0.1886 0.1886 0.2454 0.301 0.5706 0.5153 0.1886 0.1886 0.4321 0.3626 1.7444 1.351 2.0279 2.2385 1.0204 1.0143 0.9857 2.3347 1,2-distearoyl-GPG (18:0/18:0) 2.0253 2.4324 1.7583 2.3713 0.98 1.0296 0.8405 0.9706 1.3633 1.6445 1.4313 1.7005 1.7657 1.4202 0.8419 0.5569 1.1765 0.826 1.1383 1.1533 0.768 0.9488 1.3973 1.5335 1.0178 1.1449 1.1574 0.7517 1.3133 1.2478 1.1261 1.7554 0.9822 0.8254 0.9452 1.2454 0.6557 0.5104 0.6695 0.8004 0.4858 0.8009 0.8535 0.6912 0.5857 0.5021 0.6146 0.3097 1-(1-enyl-oleoyl)-2-oleoyl-GPE (P-18:1/18:1)* 0.6872 0.7633 0.5336 0.6522 0.7814 0.5365 0.4979 0.7308 0.8082 0.7666 0.5768 0.4918 0.7354 0.6636 1.5251 1.0764 1.2924 1.007 1.0755 1.2371 0.8773 0.993 1.5185 1.9883 0.9027 1.262 0.8347 0.8748 0.7733 2.0429 1.6688 1.7983 0.653 0.7087 0.5395 0.489 2.0228 2.0177 1.8425 1.5856 2.8323 2.6613 2.1631 2.074 3.7077 4.0899 3.8198 3.9453 1-(1-enyl-oleoyl)-GPE (P-18:1)* 0.8713 0.834 0.6587 0.7096 0.9141 0.6075 0.7842 0.7709 0.3662 0.635 0.6346 0.8544 1.467 1.2402 2.5654 1.0458 1.1792 1.3779 4.5096 4.5438 1.015 1.0992 1.4308 3.2122 1.1422 1.2652 1.0552 1.6118 0.5364 1.4816 1.1247 1.7034 0.985 1.0798 0.8816 0.8185 0.3625 0.2636 0.3233 0.3166 0.4938 0.471 0.2255 0.2574 1.1318 1.1015 1.1136 1.3282 1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20:4)* 2.3272 2.4776 1.8097 2.5215 0.6441 0.7368 0.6992 0.6813 0.7557 0.9458 0.7184 0.7337 1.5453 1.3916 0.6081 0.828 1.2822 1.3783 1.6184 1.417 0.2798 0.2955 0.5921 0.6521 1.1823 1.164 2.2851 1.7833 0.5835 1.0212 0.9788 1.0999 0.829 0.7601 0.8249 0.826 3.0999 2.8932 2.6159 2.6159 2.0041 1.9273 2.299 2.2706 0.0719 0.0856 0.0825 0.0677 1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20:4)* 1.0975 1.1276 0.8895 1.0047 1.2728 1.2785 1.2264 1.1928 0.7109 0.873 0.6831 0.6889 1.3468 1.2501 1.3576 0.6904 1.0209 1.0533 0.8237 0.8296 0.8047 0.809 0.8625 0.7332 0.9885 0.9926 0.9574 0.9953 0.5271 0.8657 0.7016 0.8949 0.9398 0.9421 0.8795 0.8504 1.313 1.2706 1.3845 1.36 1.6892 1.6941 1.4068 1.3785 1.1579 1.1929 1.1805 1.2246 1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2)* 1.9965 2.114 1.5699 1.942 1.1008 1.0793 0.9885 1.1439 0.1689 0.7319 0.8845 0.955 1.8768 1.8588 0.407 0.1143 0.5397 0.1143 0.1609 0.174 0.6155 0.4017 0.992 1.1748 0.1463 0.4206 0.1583 0.126 0.6933 0.3401 0.1143 0.464 0.7081 1.008 0.797 0.6827 8.7448 7.7995 8.8117 8.2277 13.3685 13.1971 13.4627 12.7873 2.0085 2.1903 2.1683 1.8457 1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)* 0.9958 0.9197 0.7815 0.697 1.1553 1.155 1.0042 1.0214 0.7544 0.8701 0.6439 0.6598 1.532 1.4647 1.5191 0.5616 0.8397 0.5692 0.4108 0.47 1.3752 1.4049 1.6219 1.6717 0.8758 0.9879 0.3917 0.3935 1.0167 0.8103 0.7422 0.8551 0.946 0.9291 0.8582 0.8462 1.6282 1.7125 1.7306 1.8016 2.1182 2.2881 2.6946 2.3357 6.735 6.6835 6.7129 5.8204 1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)* 1.5429 1.6659 1.2918 1.6335 0.9804 1.0104 1.0259 1.0059 0.5637 0.7558 0.7725 0.7779 1.2199 1.1526 0.7465 0.3429 0.7424 0.5943 0.5325 0.5606 0.7431 0.7344 1.1134 1.4004 0.7705 0.7499 0.4609 0.4004 0.7001 0.6826 0.533 0.7508 0.9941 1.0469 0.9783 0.9122 3.8447 3.5547 4.0225 3.7732 5.2241 5.2243 5.4826 5.2491 1.4805 1.5862 1.5013 1.5445 1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)* 1.0414 1.0184 0.8863 0.8872 0.9734 0.9595 0.8763 0.8793 0.5788 0.7314 0.5389 0.5493 1.2089 1.087 1.4518 0.7244 1.0213 0.7786 0.7175 0.7645 1.1991 1.2824 1.7087 1.7069 0.9788 0.9727 0.6674 0.7 0.818 1.11 0.9816 1.2308 0.9372 0.9262 0.9357 0.8564 2.5371 2.2484 2.5112 2.6262 3.1999 3.2711 3.0497 2.9216 4.5356 4.5995 4.5374 4.0075 1-(1-enyl-palmitoyl)-2-palmitoleoyl-GPC (P-16:0/16:1)* 1.3125 1.3425 1.0348 1.3124 1.2488 1.292 1.237 1.1785 0.8015 0.9974 0.8976 0.9689 1.5132 1.47 0.7666 0.2368 0.5528 0.4247 0.4683 0.4561 0.4265 0.434 1.0026 1.0903 0.5576 0.5672 0.2879 0.2375 0.6817 0.5587 0.4603 0.7343 0.7371 0.7993 0.7714 0.7311 5.3642 5.0702 5.7325 5.0737 7.9384 7.8184 7.1735 6.7828 2.7969 3.0296 2.8361 2.6263 1-(1-enyl-palmitoyl)-2-palmitoyl-GPC (P-16:0/16:0)* 1.102 1.1933 1.0133 1.3519 1.0619 1.0715 1.1427 1.1078 0.6777 0.8874 0.9356 0.9867 1.5533 1.4819 1.0654 0.3131 0.7778 0.6041 0.6123 0.6271 0.4646 0.4689 0.8708 1.0811 0.748 0.716 0.5319 0.4174 0.6903 0.6078 0.4733 0.7784 0.7798 0.8083 0.8015 0.7494 2.8672 2.572 3.3867 3.2451 3.1304 3.2028 3.3666 3.1815 1.2755 1.3919 1.3313 1.1583 1-(1-enyl-palmitoyl)-GPC (P-16:0)* 1.0869 1.1794 0.657 1.0329 1.3572 1.0822 1.2521 1.1167 0.4309 0.7602 0.7114 0.836 1.6554 1.4101 1.4721 0.3923 0.7555 0.8736 1.6875 1.6267 0.621 0.7287 0.9621 2.0331 0.8042 0.8869 0.6843 0.718 0.6053 0.7099 0.4827 0.8655 0.7677 0.8826 0.8083 0.7531 2.1735 1.7426 2.4692 2.2571 4.8633 4.826 3.1122 3.1737 1.1651 1.1123 0.9671 1.3921 1-(1-enyl-palmitoyl)-GPE (P-16:0)* 0.7164 0.7016 0.5362 0.6464 1.3424 0.9578 1.1989 1.1202 0.3689 0.628 0.564 0.6721 1.4715 1.2891 2.4843 0.5301 0.7424 0.8635 1.7502 1.6921 1.0649 1.1646 1.1224 1.9076 0.8042 0.864 0.7577 0.9712 0.4699 0.7801 0.5664 1.0044 1.112 1.1586 1.0752 0.9804 0.8886 0.7014 1.0983 0.9956 1.8746 1.5451 0.9672 1.0904 3.1323 3.1802 3.142 3.8003 1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:4)* 1.6161 1.6703 1.2469 1.4815 0.988 0.9162 0.9177 0.8868 0.8384 1.0456 0.897 0.9529 1.5398 1.4822 1.0964 0.7535 1.2998 1.3457 1.1069 1.118 0.9558 0.9751 1.1654 1.0984 1.2747 1.3039 1.2587 1.2032 0.5687 1.3204 1.0535 1.3366 1.0268 1.012 1.0193 0.9494 0.3603 0.3352 0.3958 0.3866 0.4339 0.4397 0.3872 0.3888 0.2866 0.2899 0.2888 0.3462 1-(1-enyl-stearoyl)-2-linoleoyl-GPE (P-18:0/18:2)* 1.5531 1.4489 1.296 1.1763 0.7282 0.9669 0.8878 0.6547 0.4504 0.751 0.5785 0.7257 1.5037 1.3026 1.177 0.7745 1.1151 0.7489 0.732 0.705 1.5432 1.6701 2.4311 2.6045 1.335 1.0012 0.4311 0.5583 0.9155 1.2215 1.0229 1.3073 1.1555 1.1426 0.9368 0.9158 0.829 0.5786 0.7751 0.9988 0.6944 0.9397 1.0047 0.9926 2.5324 2.2604 2.409 2.3623 1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1) 1.0069 1.0601 0.8136 0.8717 0.5741 0.5403 0.498 0.485 0.4836 0.6097 0.4263 0.4694 0.9907 0.9175 1.1748 0.5875 0.9931 0.7468 0.6645 0.6795 1.6496 1.6875 1.8453 1.8209 0.9811 0.9885 0.4727 0.4963 0.7144 1.4147 1.0432 1.365 1.1244 1.0934 0.9235 0.8524 1.2847 1.112 1.3724 1.3154 1.4427 1.397 1.4199 1.3819 3.1293 3.2534 3.0487 2.9223 1-(1-enyl-stearoyl)-GPE (P-18:0)* 1.1459 1.1383 0.8226 0.9734 0.8901 0.4604 0.5675 0.8019 0.4283 0.7223 0.7552 0.8981 2.0537 1.8324 2.1168 0.3952 0.9193 1.0501 1.5789 1.5454 1.2806 1.335 1.6007 2.3236 1.0266 1.0671 0.9616 0.9353 0.3999 1.0321 0.765 1.2717 1.2472 1.299 1.2057 1.1264 0.1842 0.1419 0.2657 0.242 0.3319 0.2779 0.1859 0.2076 1.2029 1.2458 1.1513 1.6115 1-arachidonoyl-GPE (20:4n6)* 1.336 2.3863 1.7261 2.3244 4.5791 1.4707 1.2477 1.5201 0.6404 1.1583 0.9563 0.9949 1.2465 1.2401 1.0051 2.9634 0.6998 1.8656 1.1042 2.1779 0.7042 0.9262 0.6132 3.2386 1.0675 1.8292 0.9012 1.3097 0.4016 3.4824 0.904 5.2821 0.4104 1.1913 0.7039 0.9672 0.5294 0.538 0.4066 0.6447 0.6246 0.8468 0.6167 0.5988 0.7028 0.9759 0.3918 1.0085 1-arachidonoyl-GPI* (20:4)* 2.6252 5.534 2.7053 5.8309 2.1253 0.5346 0.7303 0.7892 0.2898 0.5506 0.5794 0.4596 0.5818 0.4245 1.1532 2.2963 1.1164 2.7561 1.8986 3.201 0.6727 0.7634 0.5992 2.4122 1.1777 1.7085 1.6708 2.3289 0.614 4.7288 1.0153 6.0197 0.5055 1.1169 0.7964 0.802 0.8374 0.6989 0.6727 0.9383 0.9847 1.4668 0.8662 0.6962 1.626 1.8309 0.8641 1.4981 1-arachidonylglycerol (20:4) 0.6239 1.8673 1.2266 3.2653 0.4967 0.0773 0.0773 0.0773 0.0773 0.0773 0.1175 0.0773 0.9929 1.2602 1.7719 7.6824 1.9319 6.0076 8.4012 8.132 0.1495 0.0773 0.3454 0.4181 2.7418 4.8323 11.1294 6.5662 0.9962 4.6665 1 6.6224 0.6839 2.1344 1.1403 1.3231 0.3396 0.0773 0.0773 0.5028 0.1534 0.5366 0.8747 0.5457 0.1359 0.2892 0.0773 0.2632 1-carboxyethylisoleucine 0.9997 0.9091 0.3358 0.3748 0.5904 0.8179 1 0.7879 0.2979 0.2979 0.4358 0.5604 3.6763 2.045 0.5155 0.2979 0.5711 0.377 0.2979 0.2979 0.6495 0.8242 0.2979 0.2979 0.3006 0.2979 0.2979 0.2979 0.2979 0.3392 0.2979 0.7268 1.4163 1.6566 1.2805 1.0167 1.5609 1.4357 2.4165 2.415 3.2462 3.9433 2.6829 3.1423 1.3024 1.701 2.4966 2.5825 1-carboxyethylleucine 1.0434 0.9748 0.4881 0.4365 0.6266 0.9413 0.5677 0.4243 0.3227 0.3227 0.7007 0.4976 0.3227 1.0389 0.5474 0.3227 0.9617 0.5379 0.3227 0.3227 1.2005 1.2926 0.3227 0.3227 0.3227 0.3662 0.3227 0.3227 0.3227 0.4996 0.3227 0.7983 2.0928 1.8899 1.7104 1.5555 1.0324 1.0439 2.3162 2.099 0.3227 0.3227 3.6339 3.2429 1.0388 1 0.3227 1.9358 1-carboxyethylphenylalanine 0.8016 0.6142 0.3394 0.3521 0.5122 0.8829 0.7454 0.5459 0.2181 0.2181 0.6629 0.4741 2.1619 2.0499 0.6608 0.2181 0.9193 0.546 0.2181 0.2181 1.1757 1.46 0.2181 0.3439 0.3136 0.363 0.2181 0.2181 0.2181 0.3439 0.2758 0.7354 1.9845 2.0066 1.6431 1.4619 1.0807 1.0884 2.043 1.8905 1.2954 1.6022 2.5361 2.3899 1.3059 1.4848 1.3527 2.2164 1-carboxyethyltyrosine 0.7824 0.6028 0.3308 0.3308 0.3454 0.6135 0.4778 0.3308 0.3308 0.3308 0.4072 0.3308 2.422 2.405 0.3308 0.3308 0.5017 0.3308 0.3308 0.3308 0.6164 0.6666 0.3308 0.3308 0.3308 0.3308 0.3308 0.3308 0.3308 0.3308 0.3308 0.4718 1.0063 1.0328 0.9655 0.7677 0.9682 1.0452 1.5641 1.559 1.5464 1.7952 2.3596 2.3979 1 1.1661 1.1362 1.9839 1-carboxyethylvaline 0.7545 0.285 0.1867 0.1867 0.3514 0.6624 0.7394 0.4602 0.1867 0.1867 0.4687 0.1867 1.7885 1.7236 0.3252 0.1867 0.5936 0.2209 0.1867 0.1867 0.8053 0.8391 0.1867 0.1867 0.1867 0.1867 0.1867 0.1867 0.1867 0.1867 0.2197 0.4307 1.1352 1.1653 1 0.7832 1.7292 1.3492 2.341 2.3164 2.615 2.4531 3.7571 3.5097 1.3612 1.489 1.2615 2.3603 1-dihomo-linolenylglycerol (20:3) 0.1006 0.5348 0.3656 0.4554 0.1832 0.1006 0.1006 0.1006 0.1006 0.1006 0.1006 0.1006 0.6399 1.0356 2.2537 7.3317 1.7271 6.8524 8.0979 9.6068 0.1034 0.172 0.3526 1.2937 3.5658 4.6774 8.5594 5.3337 0.6143 6.7296 0.9644 8.0073 1.085 3.2571 1.5213 2.3873 0.1006 0.1006 0.1006 0.1006 0.2157 0.5661 0.8053 0.3191 0.1455 0.2672 0.1006 0.2313 1-docosahexaenoylglycerol (22:6) 0.8842 1.7503 1.2655 4.0843 0.4198 0.1377 0.1377 0.1377 0.1377 0.1377 0.1377 0.1377 0.7094 1.0134 1.6805 8.5522 2.2705 6.4364 7.8 8.2898 0.1564 0.2459 0.3524 1.4124 2.8144 5.1008 9.3129 6.3136 1 9.9193 1.8711 16.1778 0.5287 1.5517 0.8596 0.9932 0.2195 0.2213 0.1377 0.287 0.2318 0.5398 0.7444 0.3766 0.161 0.218 0.1377 0.1377 1-heptadecenoylglycerol (17:1)* 0.4488 1.2708 0.9215 1.7148 0.1979 0.1738 0.1738 0.1738 0.1738 0.1738 0.1738 0.1738 1 0.319 2.4504 9.7758 2.2971 4.9914 4.2529 5.2676 0.1738 0.1738 0.2808 1.1083 4.4409 5.2162 3.2686 4.4471 0.4599 5.8761 0.5504 7.7754 0.2745 1.8561 1.3421 1.43 0.2869 0.1832 0.2372 0.3202 0.4475 0.9309 1.6397 0.6092 0.1738 0.3244 0.2121 0.1749 1-lignoceroyl-GPC (24:0) 0.3461 0.3631 0.1849 0.1849 0.4421 0.5354 0.4878 0.4493 0.2659 0.4226 0.5435 0.6371 2.26 2.0627 3.1311 1 1.0647 1.1679 0.534 0.583 3.7823 4.3103 1.3291 2.0424 1.3398 1.3007 0.6335 1.1286 0.6492 0.7693 0.4697 1.0074 2.6777 3.0152 2.2872 2.1724 0.3504 0.3339 0.4474 0.4163 0.9292 0.9537 1.0031 1.1496 2.9351 3.1485 3.027 4.0234 1-linoleoyl-GPC (18:2) 0.7098 1.9088 1.3481 1.5376 5.0127 1.061 1.7315 1.5947 0.2079 0.6937 1.2051 1.0335 1 0.9137 1.1043 2.3169 0.2079 0.2079 0.4007 1.1207 0.7004 0.9443 0.2079 4.8724 0.3934 0.6548 0.2079 0.2079 0.4129 1.0297 0.2079 2.103 0.2079 0.467 0.4818 0.6889 0.5003 0.691 0.7491 0.9832 0.8306 1.5328 1.0031 0.9693 1.9141 2.3161 0.7643 2.023 1-linoleoyl-GPE (18:2)* 1.1383 1.6035 1.4507 1.6127 4.8094 1.3852 1.5608 1.867 0.4702 0.9341 1.2242 1.1203 1.4993 0.8866 1.4712 0.1507 0.252 0.5605 0.1507 0.8238 0.3023 1.2935 0.7172 3.4602 0.1507 1 0.1507 0.1507 0.4952 1.1888 0.1507 2.11 0.3112 0.9179 0.659 0.8453 0.6309 0.5149 0.581 0.7483 0.9693 1.2755 0.939 0.9067 3.5734 4.4367 1.7395 4.0403 1-linoleoyl-GPI* (18:2)* 2.1787 4.1451 2.7875 5.8571 2.6409 0.7551 1.066 1.1845 0.4471 0.9496 0.9845 0.71 0.2611 0.2611 1.5218 1.3387 0.4608 0.9909 0.6296 1.1471 0.9953 1.0496 0.8133 4.5561 0.4168 0.5229 1.0038 0.4963 0.4669 2.7122 0.6152 3.9787 0.5544 1.4545 1.156 0.7764 0.5965 0.3676 0.7372 1 1.0768 0.791 1.0134 0.6002 2.4005 2.7603 1.4993 2.2788 1-linoleoylglycerol (18:2) 0.7236 1.2264 1.0287 1.8632 0.5828 0.1237 0.1353 0.1237 0.1417 0.1422 0.1237 0.1793 0.9803 1.1024 2.163 8.8017 1.9382 4.7229 4.8964 5.2159 0.1237 0.1237 0.2535 1.0197 3.4972 5.9054 4.8643 4.3592 0.6892 5.6161 0.5353 7.8193 0.5211 1.6837 1.0221 1.2686 0.2241 0.2712 0.2466 0.4891 0.4324 0.727 1.058 0.5697 0.2435 0.2925 0.1237 0.1237 1-margaroylglycerol (17:0) 0.8596 2.0699 1.3966 2.0669 0.4254 0.8364 0.5874 0.9633 0.1624 0.2292 0.1624 0.5314 1.6365 1.375 1 5.404 2.0492 2.4816 2.537 2.7052 0.3372 0.2881 0.7036 2.7854 2.2109 3.5805 2.2155 2.5175 0.8902 6.7594 1.5899 9.0735 0.7255 1.0538 0.5852 1.5368 0.4843 0.7582 0.1624 0.6434 0.1624 1.0722 0.8688 0.7165 0.7754 1.1385 0.3689 0.3779 1-meadoylglycerol (20:3n9)* 0.1175 0.3278 0.1863 0.3293 0.1175 0.1175 0.1175 0.1175 0.1175 0.1175 0.1175 0.1175 0.2234 0.4729 2.84 7.3795 1.1892 7.2555 2.607 3.2843 0.1175 0.1175 0.4653 0.1175 5.5651 3.8347 0.81 5.5157 0.1681 3.5489 0.1175 1.4844 1.3662 2.7931 1.4645 0.8108 0.1175 0.1175 0.1175 0.1175 0.1198 0.2095 0.2166 0.1175 0.1409 0.1175 0.1175 0.1175 1-methyl-4-imidazoleacetate 0.9683 0.9108 0.6964 0.9783 0.3028 0.3028 0.3028 0.3028 0.3028 0.7364 0.658 0.5809 4.4246 4.9047 0.66 0.3028 0.9538 0.3088 0.3028 0.3028 0.3028 0.9863 0.3028 1.0303 0.3028 0.3028 0.3028 0.6798 0.3028 0.3028 0.3028 0.8346 1.0623 1.2737 1.2396 1.469 0.9314 1.1917 0.9541 1.1448 1.157 1.3776 1.2795 1.024 1.066 1.128 1 1.2484 1-methyl-5-imidazoleacetate 1.7763 1.7612 1.2109 1.4504 0.279 0.9388 0.7941 0.6568 0.279 0.5446 1.2763 1.1606 13.4158 16.9665 0.8195 0.279 0.969 0.8645 0.279 0.4209 0.5727 1.1319 0.279 0.7889 0.57 0.8742 0.279 0.8814 0.279 0.5245 0.6484 1.1025 1.6258 1.7726 1.3272 1.7112 1.0741 1.031 0.7419 0.8217 0.7889 1.0385 0.8449 0.7438 3.5177 3.7059 2.8256 4.6061 1-methylhistidine 1.6377 1.9367 1.2249 0.855 1.1901 1.7594 1.5351 0.788 0.1249 0.203 1 1.7107 21.9454 14.4606 1.5473 0.1249 0.4244 0.276 0.1719 1.0772 0.5092 0.6949 0.204 2.2955 0.2349 0.3562 0.1249 0.5033 0.1249 0.7251 0.4457 1.4935 0.8693 0.931 1.4827 1.8336 0.6372 0.4375 1.293 1.5809 1.0426 1.9077 1.1798 1.3874 0.5583 0.8074 0.5445 1.4215 1-methylnicotinamide 1.0822 1.1521 0.9961 1.2056 1.239 1.362 1.4845 1.3777 0.8012 0.9842 1.814 1.5971 1.4314 1.478 0.8373 0.3078 0.4479 0.7565 0.5316 0.7519 0.2914 0.3224 0.5562 1.3732 0.6946 0.73 1.0039 1.1447 0.4141 0.8264 0.6795 1.2874 0.7064 0.7309 0.7689 0.8003 1.9301 1.957 1.5524 1.8035 0.967 0.8966 0.8228 1.1293 2.2458 2.414 2.0945 2.7774 1-myristoyl-2-arachidonoyl-GPC (14:0/20:4)* 1.4126 1.6229 1.3977 1.5359 1.3134 1.4473 1.4498 1.382 0.7061 1.1605 1.2363 1.4867 1.1657 1.1065 1.506 0.6798 0.9919 1.0955 0.5865 0.6725 1.452 1.6177 1.2844 2.226 1.048 1.0406 0.6372 1.1324 0.4199 0.9585 0.6471 0.9936 0.8751 0.9698 0.9923 0.8748 0.4828 0.4222 0.3825 0.3767 1.0064 1.0786 0.8951 0.8741 0.5673 0.5632 0.5824 0.6042 1-myristoyl-2-palmitoyl-GPC (14:0/16:0) 0.8711 0.9005 0.9383 0.8138 1.5971 1.5736 1.576 1.5446 1.2397 1.4862 1.4865 1.5651 1.1364 1.0486 1.2943 0.5617 0.7992 0.8359 0.5868 0.5927 0.8347 0.8792 0.8785 0.9894 0.7089 0.7113 0.5611 0.7819 0.5376 0.7874 0.6545 0.932 0.9641 0.9596 1.0106 0.9574 2.4051 2.334 2.6693 2.4251 3.1174 3.2155 3.6825 3.6272 2.8657 2.9688 2.8852 2.5475 1-myristoylglycerol (14:0) 0.5738 1.1212 1.2434 1.6112 0.7471 0.1803 0.1803 0.3263 0.1803 0.1803 0.1803 0.7652 0.7869 1.0412 1.7506 5.126 1.1238 3.9722 2.6525 2.8194 0.1803 0.1803 0.3312 0.5234 1.9668 2.6026 1.5809 2.99 0.3555 3.6748 0.9535 5.0514 0.3862 1 0.674 0.9911 0.6922 0.9767 0.6943 0.703 1.5948 2.1154 3.6888 2.4167 0.859 0.7094 0.3759 0.1803 1-oleoyl-2-arachidonoyl-GPE (18:1/20:4)* 1.3236 1.3911 1.3628 1.5426 1.1821 1.1635 1.0785 1.0958 0.8041 0.9462 0.936 0.9907 1.0683 1.0178 1.5086 0.9834 1.1152 1.1277 0.9222 0.8764 1.2384 1.241 1.0524 1.1912 0.8996 0.9258 0.9401 1.1926 0.6536 0.8719 0.7575 0.8837 0.9309 0.9591 0.7986 0.7262 1.1032 1.0093 0.9218 0.932 0.7998 0.7765 0.6416 0.6446 1.6191 1.691 1.6489 1.3919 1-oleoyl-2-arachidonoyl-GPI (18:1/20:4)* 0.748 0.7669 0.9941 1.071 0.7284 0.7486 0.715 0.6878 0.5803 0.6905 0.6577 0.6788 1.1018 1.0647 1.1034 0.9264 1.3239 1.367 1.1564 1.1773 1.2647 1.2893 1.0231 1.0094 1.0851 1.135 1.075 1.3921 0.8611 1.0059 0.8561 0.9602 1.4004 1.3058 1.2322 1.1527 1.0956 0.9406 0.8832 0.9789 1.1103 1.152 0.9423 0.8964 0.5094 0.5309 0.5133 0.1775 1-oleoyl-2-docosahexaenoyl-GPC (18:1/22:6)* 1.4064 1.4425 1.1797 1.372 0.7375 0.7714 0.7058 0.7067 0.4702 0.7088 0.7406 0.8266 0.8001 0.7351 1.082 0.7073 1.0165 1.1583 0.7653 0.8619 2.0216 2.1106 0.9655 1.0515 1.129 1.091 0.6824 1.0414 0.6672 0.8904 0.6151 0.744 1.2312 1.2584 1.0957 0.9942 1.1521 1.1162 1.1179 1.1015 1.2052 1.2472 1.0058 1.0244 0.6347 0.6584 0.6336 0.4907 1-oleoyl-2-docosahexaenoyl-GPE (18:1/22:6)* 1.3321 1.4337 1.4297 1.4429 0.6615 0.6631 0.6433 0.6646 0.8329 0.9573 0.8347 0.868 0.8839 0.8558 1.6345 1.5256 1.661 1.9325 1.3524 1.4043 1.4042 1.4878 1.3239 1.6672 1.4952 1.5014 1.2222 2.0535 1.0427 1.463 1.2626 1.2719 1.1244 1.132 0.9374 0.9401 0.4901 0.4775 0.4415 0.4405 0.4155 0.4367 0.3432 0.3629 0.7995 0.8267 0.7974 0.654 1-oleoyl-2-linoleoyl-GPC (18:1/18:2)* 1.6527 1.567 1.4052 1.7446 0.9249 0.9397 1.0656 1.0271 0.9729 1.1369 1.1225 1.3554 1.6661 1.5149 1.0599 0.8904 1.3807 0.9368 0.73 0.7497 1.9264 2.1661 1.3643 1.6727 1.2595 1.2729 0.6422 0.7437 1.1481 1.219 0.9521 1.0684 1.099 1.0735 0.8589 0.9111 0.8937 0.8082 0.8172 0.8374 0.7492 0.7287 0.7 0.6059 0.5986 0.6259 0.5344 0.3937 1-oleoyl-2-linoleoyl-GPE (18:1/18:2)* 1.0033 1.0392 1.1171 0.9967 1.2572 1.245 1.3667 1.3126 0.695 0.8454 1.0238 1.0352 1.2578 1.1761 1.5174 0.6473 0.8423 0.7274 0.2743 0.2895 1.6883 1.7018 1.3253 1.5998 0.7511 0.7548 0.1635 0.266 0.9741 0.7606 0.5604 0.6963 1.1044 1.1438 0.651 0.6523 0.9297 0.8629 0.8667 0.8217 1.2503 1.2313 0.9513 0.9679 3.059 3.1573 3.1501 2.4922 1-oleoyl-GPC (18:1) 0.8325 1.4612 1.0028 1.1703 3.0845 0.8689 1.1258 1.0741 0.4581 0.8748 0.8901 0.6501 1.1939 0.6987 1.542 2.2162 0.5376 1.4455 1.5908 2.6347 0.9682 1.0463 0.6394 4.5484 0.8264 1.5559 0.3618 1.1111 0.5331 3.2365 0.6466 5.2447 0.3439 0.9972 0.6957 0.6909 0.7091 0.5598 0.7224 0.7218 1.3282 1.4876 1.0918 0.9713 1.896 2.1853 0.9775 2.2026 1-oleoyl-GPE (18:1) 0.9617 1.4728 1.4791 1.3418 3.0539 0.9906 1.0398 1.0488 0.4578 0.7741 0.7989 0.5649 1.228 0.6869 2.0717 1.9494 0.5709 1.3686 0.9701 1.5955 1.1377 1.1723 0.769 3.9424 0.7294 1.274 0.2881 0.95 0.5106 2.739 0.5701 4.2847 0.4527 1.0094 0.8431 0.7551 0.8501 0.667 0.7153 0.7579 1.1996 1.12 0.9212 0.7482 3.8703 4.9344 2.0459 4.4867 1-oleoyl-GPG (18:1)* 1.3217 4.0565 2.8147 5.1408 3.0901 1.031 0.9408 1.1417 0.4921 1.217 0.4544 0.5393 0.7153 0.8939 0.1352 1.1408 0.281 0.711 0.1352 0.4888 0.7423 1.079 0.6346 2.0372 0.6015 1.0775 0.2628 0.3878 0.1447 2.6378 0.5362 5.2773 0.1415 0.6857 0.4332 0.5456 1.2552 1 0.6194 1.0927 0.9441 2.5444 1.6236 1.1785 2.2487 2.6676 1.2468 1.9163 1-oleoyl-GPI (18:1) 0.3679 0.8264 0.6339 1.1309 1.0184 0.2459 0.3661 0.2925 0.1397 0.314 0.2405 0.1448 0.4457 0.2426 1.5378 3.8257 0.7677 1.9344 1.6852 2.6377 1.4329 1.4326 0.9148 6.4551 0.757 1.2703 2.9622 1.3546 0.6645 5.8506 1.0876 8.1859 0.8608 2.3791 1.7225 1.6046 0.626 0.4481 0.4697 0.6132 0.9816 1.4578 1.029 0.5684 1.5884 1.9012 0.7856 1.686 1-oleoyl-GPS (18:1) 0.7177 1.8427 1.3961 2.5214 2.423 0.5898 0.7418 0.8303 0.3558 0.8894 0.5281 0.7523 0.5251 0.4522 2.1364 1.8807 0.4131 1.7082 0.6624 1.1842 0.6508 0.8567 0.9806 9.6588 0.473 1.2178 0.3711 1.4427 0.6059 3.8396 0.587 6.1687 0.2693 0.7986 0.5744 0.7001 1.2782 1.0194 1.1662 1.9346 1.1539 1.8479 1.4175 1.1468 1.49 1.9691 0.7502 1.4872 1-oleoylglycerol (18:1) 0.6572 1.6533 1.4205 1.5498 0.185 0.2664 0.2475 0.3504 0.1532 0.1685 0.2029 0.1166 0.7666 0.8598 1.2167 13.4685 2.6608 6.7976 6.6319 8.0391 0.3258 0.1704 0.6823 1.4059 4.8363 6.2074 4.5225 6.2787 0.5939 8.9564 1.5631 7.8888 0.9087 2.4085 1.4375 1.7819 0.7195 0.7672 0.5844 0.7801 1.0913 1.7439 2.6392 1.4547 0.6434 0.8528 0.3096 0.3682 1-palmitoleoyl-2-linoleoyl-GPC (16:1/18:2)* 1.0235 1.0971 0.8383 1.0655 1.2875 1.2638 1.3051 1.3796 0.6873 1.0093 1.0875 1.1614 1.829 1.7074 1.3507 0.6061 1.1149 0.8684 0.7278 0.7953 1.439 1.3855 1.7077 2.3657 1.2258 1.2012 0.5484 0.5585 0.8781 1.1129 0.7796 1.158 0.8608 0.8499 0.8942 0.8002 0.621 0.6311 0.5936 0.5726 1.2324 1.2691 0.8487 0.8371 0.9701 0.9907 0.966 0.6964 1-palmitoleoyl-2-oleoyl-GPC (16:1/18:1)* 0.724 0.7312 0.4315 0.5343 1.0913 1.0882 1.1569 1.1432 0.5306 0.8013 0.5212 0.5477 1.1023 0.9445 1.171 0.6678 1.0267 0.7762 0.5099 0.5551 1.1148 1.4968 1.118 1.3212 0.9905 0.9917 0.5204 0.6286 0.7128 0.8211 0.6046 0.9303 0.791 1.0083 0.7767 0.6517 1.84 1.6207 1.4823 1.5276 2.2509 2.5821 1.2653 1.3708 2.2119 2.1845 2.0218 1.3856 1-palmitoleoyl-2-oleoyl-GPE (16:1/18:1)* 0.4863 0.6048 0.7883 0.6024 2.1151 2.1243 1.9567 1.8532 0.6816 0.9752 0.7505 0.7932 1.1069 1.0696 1.9509 0.6911 1.0109 0.857 0.4157 0.4385 2.0044 2.0633 1.4478 1.6894 0.8803 0.9891 0.3887 0.6668 0.5503 0.9112 0.7162 0.8618 0.6936 0.6415 0.664 0.6455 6.9307 6.3484 5.9935 5.8507 7.9185 8.001 5.7012 5.4467 16.9931 17.3469 17.324 12.6074 1-palmitoleoyl-GPC* (16:1)* 0.6193 0.7988 0.6379 0.7378 1.589 1.2888 1.4886 1.4988 0.483 0.986 0.8518 0.9897 1.3122 0.9283 1.9119 0.6496 0.864 1.0502 1.7259 1.8582 1.1942 1.3969 1.2654 2.5136 1.0716 1.2847 0.4368 1.0046 0.6348 0.9222 0.5827 1.0428 0.9784 1.0471 0.9954 0.9393 0.7433 0.5497 0.6761 0.6097 1.6546 1.7331 0.8467 0.9478 2.9141 2.6203 2.6653 2.4918 1-palmitoleoylglycerol (16:1)* 0.3292 1.0912 0.691 2.023 0.717 0.1424 0.0415 0.1195 0.0415 0.0415 0.0415 0.0415 0.0415 1.3174 2.058 9.0752 1.7304 4.3308 4.701 5.1074 0.0418 0.0626 0.3716 1.115 3.7443 5.702 3.3853 4.2425 0.0415 5.8913 1.0135 8.514 0.2178 1.4801 0.7259 0.8746 0.7372 0.5833 0.5559 0.6102 0.9865 1.6579 2.2284 1.3505 0.6316 0.6206 0.3469 0.2384 1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6) 1.1998 1.2217 0.947 1.3635 1.054 1.1333 1.02 1.0192 0.851 1.0474 0.9432 1.0109 1.3071 1.2286 1.2836 0.9111 0.8971 1.3743 1.3503 1.329 0.8039 0.8232 0.8564 0.9823 0.918 0.9152 1.7182 1.6073 0.6559 0.865 0.7451 0.9705 0.9542 1.0219 1.0837 0.9977 0.8192 0.775 0.8668 0.8637 1.1457 1.1313 1.0023 1.0197 0.9131 0.9277 0.8853 1.0884 1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)* 0.7643 0.8082 0.7067 0.8568 1.5808 1.5417 1.4386 1.4663 0.6369 0.7706 0.7241 0.7845 1.0801 0.993 1.3592 0.7929 0.7412 1.074 1.023 0.9524 0.6769 0.6951 0.7105 0.653 0.6574 0.6807 1.4167 1.3017 0.4765 0.6221 0.5158 0.6704 1.035 1.0936 1.1012 1.007 0.924 0.8439 1.0829 1.0447 1.2344 1.213 1.188 1.1461 2.3347 2.4308 2.3867 2.9907 1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)* 0.9083 0.9327 1.0392 1.0148 0.9526 0.9212 0.9158 0.8728 0.4376 0.5406 0.5711 0.5188 1.4431 1.1865 1.1045 0.6265 0.9816 1.2469 1.0023 1.0068 0.6297 0.6155 0.6537 0.5735 0.9115 0.9611 1.318 1.1478 0.7884 0.6845 0.5687 0.7004 0.9815 0.9977 1.1779 1.1441 2.2236 1.9187 2.5117 2.4855 3.1938 3.4022 3.3499 3.2167 2.2864 2.3601 2.2783 2.2969 1-palmitoyl-2-dihomo-linolenoyl-GPC (16:0/20:3n3 or 6)* 0.6574 0.2564 0.6572 0.5589 0.9714 0.9636 0.9642 0.9492 0.5534 0.7317 1.1055 0.9963 1.1812 1.209 1.4833 1.0611 0.9376 1.307 1.4739 1.4287 0.2564 1.0928 1.0909 1.2361 0.9575 1.0054 1.6835 1.3541 1.0037 1.0738 0.9499 1.1559 1.3217 1.4512 1.5913 1.4256 0.2564 0.2789 0.2979 0.261 0.7471 0.7705 0.6206 0.6878 0.9742 0.9694 1.0147 1.0461 1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6) 1.6419 1.6886 1.3338 1.6433 0.8533 0.9142 0.8143 0.784 0.5246 0.7284 0.799 0.8602 0.9972 0.887 1.1166 0.5412 0.8247 1.1334 0.8876 0.9949 1.0028 1.0757 0.8124 0.8521 0.8369 0.8285 1.1488 1.1541 0.5938 0.7359 0.5162 0.7391 1.009 1.0294 1.1428 1.0299 0.9911 0.9451 1.1848 1.1467 1.4974 1.5675 1.3907 1.4175 1.07 1.0894 1.0533 1.2126 1-palmitoyl-2-docosahexaenoyl-GPE (16:0/22:6)* 0.9723 1.0291 0.9315 0.871 0.9793 1.0357 0.9511 1.0066 0.9023 1.0967 0.9934 0.9749 1.0653 1.0443 1.6494 0.9667 1.0738 1.5893 1.5187 1.5163 0.8076 0.8639 1.2758 1.2714 1.1027 1.0454 1.8712 1.9407 0.8574 1.114 0.9134 1.2402 1.2404 1.2116 1.3118 1.3149 0.3371 0.3622 0.4461 0.4131 0.415 0.4455 0.4366 0.4674 0.9456 0.9749 0.9371 1.1503 1-palmitoyl-2-gamma-linolenoyl-GPC (16:0/18:3n6)* 1.7145 1.8108 1.6822 1.4482 1.4332 1.5542 1.5493 1.4391 0.8468 1.1339 1.364 1.5055 0.9742 0.9562 1.4772 0.8167 1.0258 1.0688 0.4921 0.5517 1.3723 1.6312 1.3561 2.0795 1.3067 1.2251 0.3629 0.9158 0.3912 0.9547 0.6958 0.8467 1.2371 1.3385 1.2835 1.1628 0.1724 0.1518 0.1982 0.1792 0.2104 0.2066 0.1802 0.188 0.2845 0.2917 0.2554 0.2801 1-palmitoyl-2-linoleoyl-GPC (16:0/18:2) 0.9825 1.0385 0.9637 1.0807 1.0789 1.0689 1.0468 1.048 0.8577 1.0037 0.9963 1.0324 1.2386 1.1961 1.3031 0.8349 1.1122 0.9035 0.8465 0.8603 1.3664 1.3018 1.4064 1.5546 1.0817 1.0903 0.6628 0.8048 0.8049 1.0709 0.8956 1.0361 1.1464 1.1238 1.1037 1.0527 0.6252 0.6488 0.6871 0.6286 0.7849 0.7394 0.7035 0.6759 0.8065 0.8294 0.8594 0.7945 1-palmitoyl-2-linoleoyl-GPE (16:0/18:2) 0.9644 0.818 0.7689 0.8257 1.3178 0.4136 0.4136 0.4136 0.9824 1.0176 1.1365 1.148 1.5802 1.2535 0.4136 0.6057 0.4136 0.7256 0.6542 0.6676 1.4241 1.6017 1.5709 1.7221 0.4136 0.8105 0.4136 0.4404 1.1615 0.643 0.6188 0.767 1.5894 1.7105 1.5267 1.4336 0.4136 0.4136 0.4136 0.4136 0.4136 0.4136 0.4136 0.4136 0.4136 0.4136 0.4136 0.4136 1-palmitoyl-2-oleoyl-GPC (16:0/18:1) 1.0412 1.061 0.9347 1.0552 1.0066 1.0013 0.9918 0.9791 0.7961 0.9405 0.8719 0.9139 1.0627 0.9823 1.1137 0.7305 0.9002 0.9776 0.8633 0.8671 0.9461 1.0023 0.9987 1.0621 0.9287 0.9205 0.8868 0.8893 0.7603 0.8816 0.7812 0.924 1.0736 1.0763 1.1023 1.0735 1.0273 0.9957 1.1372 1.1318 1.2304 1.2746 1.1661 1.1494 1.2655 1.29 1.2792 1.2443 1-palmitoyl-2-oleoyl-GPE (16:0/18:1) 0.6888 0.7168 0.6852 0.7113 1.2687 1.2411 1.1962 1.2029 0.608 0.7798 0.7103 0.7551 0.9843 0.9451 1.3412 0.6873 0.8879 0.9929 0.8155 0.8699 0.9847 1.0071 1.0782 1.1596 0.8366 0.8532 0.8 0.9644 0.6943 0.8311 0.6763 0.8394 1.1718 1.1864 1.1517 1.069 1.1524 1.084 1.4095 1.3319 1.7597 1.763 1.6136 1.6101 1.9792 1.9976 1.9877 2.261 1-palmitoyl-2-oleoyl-GPG (16:0/18:1) 0.7987 0.9398 1.0703 1.5173 1.2706 1.2465 1.2115 1.1736 0.4388 0.7166 0.6967 0.8093 1.2927 1.2157 1.41 0.4819 0.7455 1.0029 0.6107 0.5996 1.0121 1.0445 0.7782 0.7961 0.8838 0.9772 0.6202 1.0269 0.465 0.544 0.3477 0.4783 1.0356 1.2158 1.0884 0.9971 0.7584 0.7242 0.6219 0.536 1.7889 1.9703 1.6296 1.6832 1.6921 1.7842 1.7379 2.0316 1-palmitoyl-2-oleoyl-GPI (16:0/18:1)* 0.6182 0.6141 0.4839 0.8686 2.6537 2.5771 2.9329 2.8116 1.207 1.6636 1.8129 1.9496 0.4724 0.4878 1.489 0.3692 0.2474 0.4403 0.4581 0.4803 0.8681 0.9537 1.1646 1.9621 0.3338 0.3418 0.7497 0.804 0.1501 0.7005 0.4621 0.9277 0.9526 0.9871 1.0129 0.983 1.3895 1.4026 2.4832 2.1836 4.5228 4.8124 4.1288 4.0824 5.645 5.8642 5.8105 6.5731 1-palmitoyl-2-oleoyl-GPS (16:0/18:1) 0.8178 0.8278 0.5354 0.6889 1.9701 1.9831 1.9291 1.967 0.8813 1.1003 1.105 1.1836 1.0097 0.9363 1.061 0.6521 0.7073 0.7561 0.6187 0.6469 1.1125 1.1579 1.3263 1.555 0.7524 0.76 0.6576 0.6118 0.526 0.9903 0.7572 1.0388 0.6485 0.6926 0.6581 0.6244 0.7038 0.6624 1.0761 1.0798 1.3311 1.4316 1.0866 1.1305 2.6343 2.7386 2.5443 2.457 1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)* 0.7898 0.8216 0.7438 0.8015 1.3533 1.3193 1.3148 1.304 0.9293 1.1421 0.9793 1.0186 1.1993 1.1335 1.2797 0.5709 0.7836 0.7969 0.7356 0.7399 0.9113 0.8749 1.086 1.2482 0.8814 0.8944 0.6421 0.669 0.6171 0.8087 0.7148 0.9414 0.9677 1.0029 0.9971 0.9247 1.1715 1.1334 1.2926 1.1949 1.6478 1.7161 1.4362 1.4062 2.1402 2.1676 2.138 2.1544 1-palmitoyl-2-stearoyl-GPC (16:0/18:0) 1.829 1.9113 1.5371 2.0278 1.1527 1.1188 1.1819 1.2094 1.1957 1.5365 1.7441 1.8696 1.4962 1.4168 0.8987 0.689 0.918 1.0845 1.0188 1.0889 0.996 1.0515 0.869 1.4452 0.8955 0.9175 1.3499 1.1671 0.4573 1.004 0.8139 1.1925 0.6294 0.634 0.6451 0.6541 0.9084 0.8301 1.0133 0.9251 0.6556 0.6731 0.7525 0.7495 0.6769 0.7064 0.6643 0.6647 1-palmitoyl-2-stearoyl-GPE (16:0/18:0)* 1.0974 1.5056 1.2933 1.6551 0.7563 0.5332 0.7517 0.706 0.66 1.1576 1.024 1.2997 1.4255 1.2114 1.3784 0.8107 0.9052 1.1939 1.0616 1.1505 0.9161 1.0449 1.0967 2.5819 0.9008 0.9604 1.3229 1.9659 0.2946 1.1208 0.7176 1.1323 0.7131 0.7597 0.5473 0.6644 0.899 0.7909 1.0235 0.8326 0.7223 0.7739 0.7701 0.6949 1.226 1.3212 1.2282 0.9765 1-palmitoyl-GPC (16:0) 0.6476 0.7361 0.5399 0.7301 1.3284 1.0862 1.342 1.226 0.4396 0.7844 0.8553 0.8909 1.1047 0.862 1.8043 0.4685 0.57 0.9967 1.4674 1.5688 0.936 1.132 0.8586 1.6587 0.6531 0.7814 0.6636 1.1084 0.5267 0.6537 0.4202 0.8178 0.9937 1.1822 1.0112 1.0543 0.7604 0.6918 1.0887 1.0033 2.3175 2.3038 1.3936 1.7979 4.99 5.0491 4.9031 7.9371 1-palmitoyl-GPE (16:0) 0.6156 0.6226 0.5024 0.5833 1.5222 1.5786 1.3598 1.1206 0.4919 0.7821 0.7242 0.7475 1.1052 0.9334 2.2129 0.4905 0.5604 1.0321 1.0352 1.0515 0.9517 1.0841 0.9679 1.4544 0.6788 0.7799 0.6078 1.1256 0.4869 0.6352 0.4561 0.7646 1.3087 1.4385 1.4473 1.393 0.5931 0.5373 0.9291 0.8428 1.5941 1.5994 1.0983 1.276 7.0943 7.1293 6.9436 11.326 1-palmitoyl-GPG (16:0)* 0.1605 1.3801 1 2.3852 3.6843 1.1409 1.3157 1.2608 0.1605 0.6589 0.1605 0.4251 0.6735 0.7539 0.1605 0.1605 0.1605 0.1605 0.1605 0.1605 0.421 0.5968 0.1605 0.7096 0.1605 0.1605 0.1605 0.1605 0.1605 0.1605 0.1605 0.1605 0.2472 0.742 0.6321 0.716 0.6998 0.6205 0.7036 1.0114 1.5866 3.0665 2.3521 1.8061 2.3258 3.0969 1.4313 3.7104 1-palmitoyl-GPI* (16:0) 0.236 0.4675 0.3708 0.7681 1.2955 0.3191 0.4941 0.4088 0.1221 0.3161 0.2589 0.177 0.469 0.2619 1.2346 2.7792 0.4363 1.4598 1.3557 2.0966 0.6952 0.695 0.5793 3.9963 0.5044 0.8947 4.5185 1.0427 0.5433 4.0306 0.7858 6.5674 0.623 1.7465 1.575 1.4515 0.9573 0.7652 1.0666 1.3269 2.3652 3.6971 3.2022 1.8961 2.7025 3.5761 1.611 3.8979 1-palmitoyl-GPS (16:0)* 0.4252 0.9603 0.6541 1.9747 3.8058 0.8375 1.0562 1.0148 0.3065 0.8551 0.7511 1.0647 1.5515 1.247 1.767 3.5939 0.4319 2.1065 1.7724 3.0825 0.6775 0.8671 0.8277 13.2775 0.7969 1.4165 1.972 2.0619 0.3055 6.2301 0.9377 12.1719 0.4027 1.5535 1.072 1.4117 0.5045 0.3493 0.317 0.7665 0.1555 0.5315 0.457 0.3172 1.8368 2.3771 0.9852 3.2207 1-palmitoylglycerol (16:0) 0.5249 1.3193 1.1467 1.9716 0.7835 0.7995 0.5334 0.54 0.2307 0.3121 0.3873 0.2351 0.9791 1.3233 1.2825 5.8429 1.0209 5.6786 3.4367 5.5117 0.2915 0.2895 0.7017 1.0767 2.6651 2.421 2.4933 3.0664 0.7332 6.9526 0.7379 6.8769 0.8541 1.9992 1.3591 1.3029 0.7263 0.8584 0.86 0.7771 1.2449 1.6707 2.4968 1.8872 0.4361 0.9091 0.5792 0.2613 1-ribosyl-imidazoleacetate* 0.643 0.643 0.643 0.643 0.643 0.643 0.643 0.643 0.643 0.643 0.643 0.643 0.643 0.643 0.643 0.643 0.643 0.643 0.643 0.643 0.643 0.643 0.643 0.643 0.643 0.643 0.643 0.643 0.643 0.643 0.643 0.643 0.643 0.643 0.643 0.643 0.643 0.643 0.643 0.643 0.643 0.643 0.643 0.643 0.871 1.1924 0.643 1.129 1-stearoyl-2-arachidonoyl-GPC (18:0/20:4) 1.21 1.2877 1.0533 1.416 0.7181 0.7421 0.719 0.696 0.857 1.055 0.9348 0.972 1.2217 1.1674 1.0125 1.0406 1.0665 1.3905 1.4715 1.5204 1.3361 1.3471 1.1254 1.3135 1.2551 1.2761 1.6713 1.7624 0.8508 1.2211 0.9875 1.2261 0.9873 1.0161 0.9855 0.9593 0.2727 0.2714 0.2706 0.2764 0.2646 0.2789 0.2673 0.2645 0.3566 0.3657 0.3642 0.4014 1-stearoyl-2-arachidonoyl-GPE (18:0/20:4) 1.317 1.3339 1.1216 1.3596 1.2311 1.2625 1.2477 1.2229 0.8678 0.9969 0.9988 1.0664 1.1616 1.0972 1.0949 0.8677 0.9099 1.1637 1.0687 1.0151 1.0365 1.0655 0.9783 0.9671 0.9986 0.971 1.2402 1.2009 0.6323 0.8654 0.7566 0.83 1.0774 1.0856 1.0331 0.9561 0.4293 0.4152 0.4717 0.4668 0.591 0.599 0.4928 0.4725 0.9753 1.0012 0.9896 1.1095 1-stearoyl-2-arachidonoyl-GPI (18:0/20:4) 1.2086 1.2793 0.97 1.1611 0.8729 0.8964 0.8446 0.8318 0.6798 0.8947 0.8242 0.889 1.2794 1.2753 1.0036 0.854 1.1892 1.2816 1.0456 1.0313 1.1436 1.112 1.0631 1.2397 1.3029 1.3129 1.0193 1.2462 0.8332 1.1609 0.9301 1.1218 1.0339 1.0398 1.0202 0.9235 0.9278 0.8798 0.9612 0.9508 0.9964 1.0176 0.9071 0.8757 0.9679 0.9956 0.9699 0.9077 1-stearoyl-2-arachidonoyl-GPS (18:0/20:4) 0.957 1.0754 0.4829 0.9433 1.6799 1.8429 1.702 1.6378 1.4209 1.6731 1.498 1.6165 1.511 1.4889 0.8658 1.0178 1.0244 1.3095 1.3461 1.2898 0.5924 0.634 0.8981 1.229 1.2876 0.9822 1.9335 1.1804 0.6891 1.2027 1.1007 1.5418 0.7359 0.8482 0.7093 0.7077 0.046 0.046 0.1481 0.224 0.046 0.2213 0.226 0.2435 0.4801 0.4313 0.4568 0.5155 1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6) 1.6341 1.7373 1.4849 1.8102 0.7443 0.7311 0.6861 0.6554 0.7398 0.9045 0.9893 1.0358 1.0279 1.0107 0.9675 0.7554 1.0678 1.2063 1.1106 1.0675 1.5085 1.5116 1.0762 0.9668 1.3073 1.3569 1.1995 1.3534 1.0894 0.9508 0.8002 1.0203 1.1406 1.1698 1.2041 1.085 0.3031 0.2875 0.3574 0.3359 0.3191 0.3138 0.374 0.3752 0.5151 0.5266 0.5079 0.5383 1-stearoyl-2-docosahexaenoyl-GPE (18:0/22:6)* 1.3238 1.3881 1.4251 1.3835 0.9823 0.9857 0.9693 0.8854 0.8878 1.0586 1.1306 1.1352 1.0102 0.9636 1.2289 0.8338 0.9947 1.4301 1.1365 1.1279 0.9663 1.0053 0.9732 1.0105 1.2116 1.0505 1.195 1.5594 1.1683 0.8763 0.7263 0.9529 1.2886 1.2892 1.3551 1.3614 0.1972 0.1679 0.2312 0.1907 0.2508 0.1902 0.2752 0.2891 0.7664 0.8119 0.7537 1.0643 1-stearoyl-2-linoleoyl-GPC (18:0/18:2)* 1.1691 1.1348 1.1557 1.0729 0.9179 0.9409 0.8792 0.7445 0.6787 1.0106 0.959 1.0237 1.3746 1.3895 1.2095 1.002 1.0643 1.1088 0.7752 1.0054 1.5792 1.6929 1.4204 1.3697 1.3883 1.2583 0.8415 0.998 0.9842 1.2278 0.795 0.9144 1.3111 1.4059 1.1837 1.1699 0.3848 0.3098 0.3995 0.3515 0.414 0.4464 0.4977 0.4147 0.6 0.7323 0.6764 0.7311 1-stearoyl-2-linoleoyl-GPI (18:0/18:2) 0.9925 1.1627 0.838 1.0524 0.9643 1.0075 1.0317 1.0297 0.7374 0.8761 0.9198 1.1224 0.445 0.5378 0.445 0.445 0.445 0.445 0.445 0.445 0.445 0.445 0.445 0.445 0.445 0.445 0.445 0.445 0.445 0.445 0.445 0.445 0.445 0.445 0.445 0.445 0.445 0.445 0.445 0.445 0.445 0.445 0.445 0.445 1.0685 1.1822 0.8587 1.2491 1-stearoyl-2-oleoyl-GPC (18:0/18:1) 1.1172 1.1797 0.9665 1.1162 0.7827 0.7511 0.7482 0.7503 0.6527 0.8197 0.7661 0.8394 1.0428 0.9745 1.1555 0.7554 1.0783 1.0549 0.9402 0.9831 1.5373 1.6602 1.2215 1.2904 1.1758 1.218 0.9188 1.0169 0.8698 1.0554 0.8919 1.0822 1.2751 1.3035 1.1615 1.1263 0.6224 0.5855 0.6814 0.6423 0.7166 0.7422 0.6777 0.6744 1.0921 1.1195 1.0805 1.0495 1-stearoyl-2-oleoyl-GPE (18:0/18:1) 1.0206 1.3352 0.9683 1.1753 1.2123 0.8971 1.2247 1.1767 0.5637 0.9335 0.877 1.0379 1.2798 1.1309 1.5659 0.5163 0.9016 1.0269 0.6203 0.6786 1.2841 1.4086 1.2991 1.8549 0.9857 1.0084 0.5433 0.7662 0.5901 0.9671 0.6337 0.9608 1.2555 1.2928 0.8736 0.9916 0.6482 0.5958 0.7571 0.6361 1.2018 1.3206 0.9317 0.9435 1.7288 1.8287 1.7065 1.721 1-stearoyl-2-oleoyl-GPG (18:0/18:1) 3.7205 4.1963 3.1639 5.4244 1.2263 1.1618 1.0678 1.044 0.4355 0.677 0.6839 0.8065 1.1122 1.0112 1.3005 0.1623 0.5351 0.5853 0.3254 0.3034 1.0309 1.0973 0.7402 0.7729 0.3641 0.391 0.2392 0.2663 0.3657 0.3218 0.2285 0.4404 1.2621 1.2681 1.1762 0.9888 0.492 0.4237 0.5381 0.4116 1.0837 1.2041 1.2181 1.1967 2.4967 2.631 2.5295 3.299 1-stearoyl-2-oleoyl-GPI (18:0/18:1)* 0.8911 1 0.6018 1.1206 1.4532 1.412 1.3078 1.455 0.8887 1.375 1.2046 1.3543 0.313 0.2431 1.0165 0.3147 0.1428 0.2711 0.2718 0.3126 1.1649 1.151 1.0246 2.0566 0.2811 0.2384 0.4319 0.6569 0.0961 0.6624 0.5146 0.8237 0.6084 0.8025 0.6112 0.7366 1 0.817 1.5513 1.3111 2.4943 2.7505 1.9351 2.0243 4.0302 4.3235 4.0891 5.1527 1-stearoyl-2-oleoyl-GPS (18:0/18:1) 1.3058 1.389 1.0277 1.2169 1.3178 1.2482 1.2704 1.2309 0.8112 1.0202 1.0561 1.1028 1.0463 0.9979 1.0682 0.5769 0.7799 0.806 0.5568 0.5873 1.1396 1.2226 1.1859 1.3574 0.9442 0.9806 0.5729 0.631 0.583 0.9602 0.7722 1.0021 0.7434 0.7675 0.6589 0.6209 0.7107 0.6082 0.9009 0.9208 1.1129 1.218 0.9952 0.9648 1.4574 1.5128 1.4466 1.3724 1-stearoyl-GPC (18:0) 0.8807 0.931 0.712 0.9783 0.9263 0.697 0.889 0.8736 0.4868 0.8562 0.9212 1.1289 1.3023 1.1191 1.6284 0.6094 0.7517 1.0769 1.9285 2.0554 1.9264 2.3208 1.1873 2.8656 1.0259 1.1706 1.0217 1.5206 0.7525 0.9649 0.6454 1.1629 1.2698 1.4159 1.203 1.1672 0.2266 0.2022 0.3221 0.2983 0.5014 0.4864 0.3566 0.436 1.681 1.7318 1.666 2.7125 1-stearoyl-GPE (18:0) 0.9546 0.9573 0.8719 1.1028 1.1904 1.014 1.1326 0.9946 0.4842 0.8211 0.7984 0.8342 1.4866 1.2657 2.3815 0.6268 0.7925 1.2905 1.4927 1.4878 1.5535 1.6455 1.2069 2.2219 0.9783 1.0054 0.9162 1.3406 0.6775 0.8281 0.5901 0.941 1.7023 1.7987 1.6316 1.496 0.2895 0.2363 0.4334 0.3441 0.7474 0.6375 0.4788 0.5147 3.7971 3.6293 3.7464 6.1084 1-stearoyl-GPG (18:0) 2.8682 5.1751 3.67 10.5627 3.6718 0.9088 0.615 1.0358 0.3088 0.7453 0.4506 0.3476 0.8659 1 0.3088 0.3088 0.3088 0.3088 0.3088 0.3088 0.5278 0.8128 0.3088 1.3211 0.3088 0.3088 0.3088 0.3088 0.3088 0.3088 0.3088 1.6991 0.3088 1.5946 0.7292 0.8797 0.3253 0.3088 0.3088 0.4168 0.8711 1.574 1.3278 0.9276 3.272 3.6101 1.3531 5.8134 1-stearoyl-GPI (18:0) 0.5184 0.9092 0.4691 0.7946 0.9711 0.2774 0.2887 0.2251 0.1491 0.3988 0.2255 0.1247 0.7106 0.2931 1.4332 4.4843 0.9097 2.1166 1.9978 3.0647 1.43 1.6037 0.9894 7.6611 1.0958 1.984 4.7102 1.6337 0.8669 7.0762 1.6394 9.7768 0.8343 1.9875 1.6047 1.521 0.812 0.5932 0.6562 0.8524 1.0106 1.4486 1.1318 0.707 1.6454 2.1031 0.9558 2.1911 1-stearoyl-GPS (18:0)* 1.0114 1.9147 1.0379 2.0029 2.9881 0.8444 0.6954 0.8388 0.4452 0.9282 0.9886 1.0693 2.299 1.5054 1.6609 2.1411 0.5969 1.7504 0.9563 1.6471 0.7944 0.8925 0.6135 6.6204 0.8773 1.5628 1.5233 1.1631 0.4519 3.8606 0.8061 7.3119 0.5858 1.4137 1.0296 1.1505 0.2515 0.1923 0.176 0.2932 0.2165 0.3106 0.2175 0.1858 1.0531 1.3637 0.5802 1.5894 10-heptadecenoate (17:1n7) 0.965 2.094 1.3067 2.9726 2.3141 0.4852 0.6275 0.5592 0.323 0.6233 0.4142 0.4064 1.2755 1.3092 1.5665 6.0196 1.1198 2.6812 1.2573 2.0064 0.989 1.0257 0.9643 8.6348 1.608 2.702 1.011 1.6979 0.4617 10.1236 1.779 13.9745 0.4515 1.2908 0.9735 0.9048 0.7614 0.5502 0.425 0.6286 0.9477 1.5421 1.0918 0.6345 0.8134 0.8954 0.4716 0.7207 10-nonadecenoate (19:1n9) 0.5541 1.1107 0.6866 1.7974 1.5896 0.3733 0.4509 0.4273 0.2751 0.5516 0.3259 0.3206 1.0189 1.0956 2.1582 8.6676 1.3966 3.8717 2.6704 3.8641 1.0859 1.1408 0.8274 5.1374 1.4567 2.3099 2.0591 3.1744 0.4469 11.6165 2.061 13.972 0.6743 1.8189 1.0767 0.9811 0.654 0.4682 0.3827 0.5587 0.7852 1.2445 0.9227 0.5516 0.671 0.7009 0.3857 0.7111 12-HHTrE 0.6769 0.7197 0.3544 1.1395 0.8528 0.437 0.4301 0.4009 1.3816 1.8432 0.5993 0.9271 3.0511 1.9723 2.5714 0.9553 3.8588 3.6591 0.5093 0.9127 9.2686 10.9188 5.6399 6.0153 1.6411 1.5629 0.6581 0.6102 1.1754 1.0602 1 1.2484 4.3511 4.4386 2.8337 2.5487 0.9215 0.9003 1.1309 1.0946 0.8163 0.7163 0.4902 0.351 0.0932 0.0932 0.1133 0.2425 13-HODE + 9-HODE 1.0819 1.2957 0.894 1.5536 0.7685 0.8858 0.7679 0.791 0.6019 0.9407 0.6681 0.7879 2.3312 1.9902 1.6529 0.7502 1.7407 1.2535 0.4501 0.6451 5.552 6.2972 4.6481 3.1407 1.5968 1.5347 0.4501 0.4501 1.358 0.9351 0.5458 1.0831 1.9834 1.7604 1.5234 1.4118 1.0407 0.9593 0.8936 0.8156 1.3088 1.5427 0.9298 0.9483 0.6381 0.7326 0.6501 0.8527 15-HETE 1.2442 1.6043 0.8108 2.0277 0.7028 0.461 0.4212 0.4261 0.6014 1.0562 0.4446 0.6161 1.5292 1.4285 1.4431 1.3452 3.3751 2.2094 0.6125 0.9438 9.6323 10.706 6.5523 7.5477 1.5087 1.6253 0.8434 0.7401 2.2422 1.8831 1.3762 2.4008 4.1716 4.3957 3.241 3.1729 0.6668 0.7721 0.5918 0.6006 0.4889 0.5118 0.4693 0.3303 0.0805 0.184 0.0837 0.3017 2'-deoxyadenosine 5'-monophosphate 0.4213 0.4213 0.4213 0.4213 1.0818 0.4708 1.4413 1.3651 0.4213 0.4213 0.4213 0.4213 2.5779 3.0835 0.4213 0.4213 0.4213 0.4213 0.4213 0.4213 0.4213 0.4213 0.4213 0.4213 0.4213 0.4213 0.4213 0.4213 0.4213 0.4213 0.4213 0.4213 0.4213 0.4213 0.4213 0.4213 0.4213 0.4213 0.4213 0.4213 0.4213 0.4213 0.4213 0.6927 0.7323 0.9182 0.8964 2.4694 2'-deoxycytidine 0.2049 0.2049 0.2049 0.2049 0.2049 0.2049 0.2049 0.2049 0.2049 0.2049 0.2049 0.2049 4.6269 4.5177 1 0.2659 1.2807 2.1732 4.6269 2.3524 0.2049 0.2049 0.2049 0.2049 1.0732 1.0817 0.9621 1.4924 1.0253 0.931 0.5147 0.613 0.9035 0.8345 0.8677 0.6204 0.2049 0.2049 0.2049 0.2049 0.2049 0.2049 0.2049 0.2049 0.2049 0.2049 0.2049 0.2049 2'-deoxyguanosine 0.6497 0.5455 0.6174 0.9163 0.7154 0.8637 1 1.2343 0.4916 0.4916 1.4006 3.1754 1.8754 1.0171 0.4916 0.4916 0.4916 0.4916 9.8704 4.0613 0.4916 0.4916 0.4916 0.4916 0.4916 0.4916 0.4916 0.4916 0.4916 0.4916 0.4916 0.4916 0.4916 0.4916 0.4916 0.4916 0.4916 0.4916 0.4916 0.4916 0.4916 0.4916 0.4916 0.4916 0.4916 0.4916 0.4916 0.4916 2'-deoxyinosine 1.4793 1.3703 1.1454 2.2013 1.1222 2.1042 1.3427 1.4333 0.3304 0.4992 1 3.0139 4.0469 3.0198 0.7048 0.1931 0.1931 0.2063 6.0485 2.712 0.1931 0.1931 0.1931 0.3703 0.1931 0.1931 0.1931 0.1931 0.1931 0.1931 0.1931 0.1931 0.1931 0.1931 0.22 0.1931 0.1931 0.1931 0.1931 0.1931 0.6916 0.9021 0.2093 0.2525 0.1931 0.2319 0.1931 0.6026 2'-deoxyuridine 4.5639 5.3159 5.9584 17.6407 2.239 1.8891 1.7924 0.9424 1.2702 2.2384 1.6375 1.2097 3.5296 2.0573 2.442 0.3036 0.8893 1.2593 0.3036 0.3036 0.6196 0.8947 0.6926 1.5039 0.8068 0.9134 0.3582 0.5946 0.4434 0.7211 0.6432 1.0836 0.8716 1.0128 0.8397 0.8863 0.3036 0.3036 0.3036 0.3036 0.8155 0.9872 0.3036 0.3036 0.3036 0.3036 0.3036 0.3036 2'-O-methylcytidine 2.2724 2.4284 0.6429 1.9203 1.0471 3.699 2.7698 0.8132 0.4453 0.4453 0.6392 0.4453 3.2877 3.5674 1.6133 0.4453 0.4453 0.4453 0.4453 0.4453 0.6239 0.8245 0.4453 1.4355 0.5171 0.6559 0.4453 0.7482 0.4453 0.4453 0.4453 0.5335 1 1.2994 0.8644 1.0506 0.4453 0.4453 0.4453 0.4453 0.4453 0.7211 0.4453 0.4453 0.4453 0.4453 0.4453 0.4453 2,4-di-tert-butylphenol 1.4668 2.8433 1.6098 3.4058 2.9531 0.5646 0.7276 0.6516 0.4499 1.1208 0.7001 0.7321 1.1085 1.0015 1.0841 2.2267 0.64 1.6277 0.7316 1.323 0.8953 0.9985 0.828 4.0048 1.083 1.9544 0.9838 0.9971 0.421 5.0353 0.9248 5.97 0.3233 1.0449 0.7393 0.7224 0.866 0.5563 0.7285 1.153 1.2948 2.5238 2.4739 1.0637 0.9619 1.0706 0.4347 0.8274 2,4-dihydroxybutyrate 0.8366 0.8366 0.8366 0.8366 0.8851 0.8815 1.0409 1 0.8366 1.6692 1.213 2.0146 4.8148 4.2546 0.8366 0.8366 0.8366 0.8366 0.8366 0.8366 0.8366 0.8366 0.8366 0.8366 0.8366 0.8366 0.8366 0.8366 0.8366 0.8366 0.8366 0.8366 0.8366 0.8366 0.8366 0.8366 0.9051 0.8366 0.9073 0.8366 0.9172 0.8924 0.962 0.8366 0.9509 1.3377 1.4731 1.9408 2-aminoadipate 1.7138 1.078 0.9217 0.8004 1.3859 1.8265 1.8783 1.7194 1.01 0.9647 2.5321 1.9529 12.5438 11.5269 0.6858 0.409 0.9886 0.5313 0.409 0.409 0.409 0.99 0.4784 1.586 0.514 0.4846 0.409 0.5935 0.409 1.6354 1.1002 2.4233 0.409 0.409 0.5571 0.4553 0.409 0.409 0.409 0.409 0.409 0.409 0.409 0.409 0.409 0.409 0.409 0.4114 2-arachidonoylglycerol (20:4) 0.8574 1.7147 1.2392 3.1303 0.5625 0.0961 0.0961 0.0961 0.0961 0.0961 0.1119 0.0961 1.2121 1.7508 2.4533 6.4917 1.8906 6.0834 7.016 5.9401 0.2057 0.0961 0.4283 0.7854 2.8759 5.2613 10.7504 6.189 0.7317 4.2413 1 6.4998 0.6477 2.1366 0.8581 0.9789 0.2402 0.0961 0.0961 0.4967 0.209 0.5834 0.7247 0.4397 0.0961 0.4527 0.0961 0.0961 2-docosahexaenoylglycerol (22:6)* 0.9282 1.4477 1 3.5252 0.4593 0.0875 0.0875 0.0875 0.0875 0.0875 0.0875 0.0875 1.0557 1.3588 2.3 6.9995 2.2886 5.9335 6.2724 5.4833 0.093 0.3059 0.2875 1.4001 2.4346 4.3596 7.0376 5.6228 0.8568 8.7111 2.0547 12.8708 0.5083 1.3719 0.9246 0.7716 0.1303 0.1431 0.0875 0.1757 0.2836 0.5949 0.5733 0.2345 0.1596 0.2409 0.0875 0.0875 2-heptadecenoylglycerol (17:1)* 1.0226 1.3539 0.9228 2.0136 0.5007 0.1796 0.2777 0.1796 0.1796 0.1796 0.1796 0.2996 1.5209 0.7745 3.4241 11.0482 2.6295 5.4202 4.834 4.522 0.1796 0.2011 0.2711 1.4292 4.4787 7.9779 4.3806 6.0594 0.6275 8.0038 1.8273 9.9991 0.8262 1.9403 1.1121 1.5953 0.38 0.3621 0.1796 0.4491 0.4402 0.9774 0.8816 0.6471 0.4796 0.4385 0.2863 0.3634 2-hydroxyadipate 0.4957 0.4957 0.4957 0.4957 0.4957 0.4957 0.7281 1.8922 0.4957 0.4957 0.9874 0.8616 6.068 6.1986 0.4957 0.4957 0.6914 0.4957 0.4957 0.5494 0.4957 0.6546 0.4957 1.1301 1.0126 0.5823 0.4957 0.4957 0.4957 2.3335 2.1044 5.1984 0.6488 0.7657 1.076 0.7392 0.4957 0.4957 0.4957 0.4957 0.4957 0.4957 0.4957 0.4957 0.8584 1.8326 1.0676 2.2251 2-hydroxyglutarate 0.6532 0.4124 0.3285 0.4135 0.8203 1.2434 1.3811 1.1002 0.3774 0.4196 1.2958 1.0355 28.163 25.9829 1.2599 0.4063 1.5013 0.8739 0.5508 0.7272 0.6076 0.6646 0.9101 1.773 2.0747 2.0705 0.3399 0.4093 0.3535 1.657 1.5801 3.9741 3.1577 3.1556 3.721 3.4685 0.572 0.4416 0.4395 0.4114 1.3285 1.3224 1.09 1.1159 0.9645 0.9522 0.9609 2.0866 2-hydroxypalmitate 3.41 8.3523 3.386 13.4587 7.671 2.3177 1.3604 1.3406 1.0648 2.7044 1.5719 1.528 1.9909 3.5154 0.3366 0.8525 0.2952 0.6458 0.2156 0.3098 0.255 0.3015 0.4216 2.9564 0.4446 0.7167 0.2235 0.366 0.2318 1.4876 0.3713 3.1988 0.4731 1.1865 0.9352 1.2346 0.7083 0.5984 0.5465 1.0859 0.7262 2.1832 0.7958 0.4858 1.4577 1.8145 0.8438 3.612 2-hydroxystearate 9.6191 21.9367 9.643 34.0912 8.5799 2.7213 1.6923 1.4389 1.8228 4.1123 2.6251 2.4583 2.9816 4.9807 0.334 1.2615 0.4438 0.9138 0.2911 0.4604 0.6172 0.4882 0.7136 4.0171 0.7522 1.0113 0.5203 0.3445 0.3832 1.8501 0.5304 3.3786 0.7768 2.2579 1.8445 2.0833 0.5976 0.5009 0.4999 0.81 0.6076 1.2648 0.5379 0.4485 0.8288 0.9887 0.5123 1.855 2-linoleoylglycerol (18:2) 0.7908 1.6029 1.008 2.5999 0.36 0.0503 0.1927 0.0503 0.0503 0.0503 0.0503 0.0503 1.3919 1.5807 2.1426 7.5103 2.1162 4.4695 5.1561 4.4784 0.1511 0.0503 0.2902 1.3751 3.6601 5.9697 5.6437 4.5886 0.7559 4.9957 0.6009 7.2268 0.5221 1.5217 0.9778 0.992 0.1863 0.1593 0.2007 0.2606 0.3797 0.6773 1.0407 0.6995 0.2321 0.2595 0.0503 0.0503 2-methylbutyrylcarnitine (C5) 0.245 0.1997 0.1715 0.1856 0.3007 0.4674 0.379 0.3491 0.2783 0.378 0.6376 0.569 10.5396 11.9554 3.0614 1.3874 1.5428 1.8542 1.1865 1.5001 0.4226 0.5662 1.2028 0.7429 2.1696 2.4108 1.4092 2.732 0.475 2.4698 1.5633 3.3491 1.0025 1.0506 1 1.1045 0.1693 0.1353 0.113 0.113 0.2675 0.3295 0.1704 0.2344 3.1234 3.3856 2.6572 4.0484 2-methylcitrate/homocitrate 0.2257 0.2257 0.2257 0.2257 0.7029 0.8709 0.9445 1.2881 1.3308 1.3126 2.259 2.1866 8.9275 8.3966 1.8792 0.2257 1.5005 0.7271 1 1.6856 0.2257 0.4994 1.3752 1.1568 2.3172 2.6146 0.7976 1.4066 0.8862 0.7721 0.4554 0.6565 0.6364 0.5057 0.2916 0.8262 0.3015 0.2257 0.2257 0.2257 0.2257 0.4969 0.5326 0.6453 3.7385 3.7513 4.3588 2.465 2-myristoylglycerol (14:0) 0.7716 1.1333 1.075 1.5237 0.489 0.1783 0.1642 0.5308 0.1642 0.1642 0.2195 0.1642 0.9429 1.2487 1.8294 4.1586 1.0814 3.6175 2.0433 2.1258 0.1642 0.2816 0.4527 0.8284 1.8593 2.3625 1.6519 2.3532 0.2191 3.3162 1.0571 4.3263 0.1642 0.6295 0.549 0.802 0.4761 0.5575 0.6664 0.7271 1.1803 1.6782 2.6839 1.7153 0.7139 0.2861 0.3368 0.1642 2-O-methylascorbic acid 1 1.0046 0.7379 1.1387 0.9058 1.0778 0.8598 0.7964 0.4067 0.7255 0.9944 0.9656 6.7429 5.3359 2.5819 0.5559 1.0414 1.3659 0.8382 0.9613 0.9396 1.377 0.7515 1.1955 1.1404 1.0516 1.1694 1.301 0.5245 1.0303 0.7035 0.9313 1.6817 1.7078 1.5836 1.4285 0.4277 0.3724 0.3724 0.3767 0.6711 0.6244 0.4199 0.5076 1.2426 1.4009 1.4677 1.3917 2-oleoylglycerol (18:1) 0.619 1.5558 0.9951 1.4553 0.2625 0.2239 0.2523 0.2239 0.1273 0.1372 0.1147 0.0568 0.8648 1.3256 2.1762 13.337 2.1828 8.6924 6.9288 8.2809 0.318 0.1747 0.6395 1.1934 6.4055 6.2001 4.1166 7.2741 0.4062 10.1716 1.0049 7.5061 1.3968 3.3716 1.6281 1.3646 0.4515 0.5408 0.6465 0.6113 0.9295 1.2828 1.6601 1.1955 0.4197 0.5163 0.2119 0.2663 2-oxoarginine* 0.1228 0.1285 0.1491 0.1521 0.5126 0.5609 0.4983 0.407 0.6561 1.0342 0.4268 0.4053 1.8537 1.7743 3.2048 1.3483 1.2971 1.9733 0.1205 0.208 2.4662 2.4595 1.1963 1.5808 2.6951 1.9802 2.3373 4.6791 0.3681 1.1227 0.6997 1.3134 1.6313 1.577 1.3586 0.9658 0.5462 0.5166 0.5588 0.4928 0.5869 0.6213 0.3565 0.3043 13.8646 10.731 12.3652 6.9167 2-palmitoleoyl-GPC* (16:1)* 1.098 1.4368 0.8709 1.2061 1.5611 1.6202 2.0064 1.6033 0.4823 0.6476 0.815 0.9459 0.726 0.782 1.3042 0.3953 0.7108 0.5996 0.8929 0.9427 0.8335 1.028 1.0106 1.6171 0.595 0.6355 0.2692 0.6103 0.5331 0.6502 0.3809 0.7327 0.9894 1.1655 0.7511 0.846 4.8002 4.344 5.5922 4.9303 10.3823 11.2609 6.5954 7.6322 12.0216 12.3573 12.0398 10.0968 2-palmitoleoylglycerol (16:1)* 0.3993 1.082 0.5158 1.5258 0.0621 0.0621 0.0621 0.0621 0.0621 0.0621 0.0621 0.0621 0.0621 1.6697 0.4569 7.4691 1.5217 3.8422 3.6872 3.2398 0.0621 0.0621 0.3611 0.8555 3.5135 5.8773 3.0267 3.8233 0.0621 4.6547 0.7694 6.7393 0.0621 0.0621 0.1425 0.182 0.6466 0.4872 0.411 0.4097 1 1.597 1.661 1.0659 0.6545 0.6005 0.4648 0.178 2-palmitoyl-GPC* (16:0)* 1.5353 1.5856 1.1652 1.9263 0.822 0.7086 0.7889 0.8758 0.4689 0.8022 0.8091 1.0032 0.5801 0.4864 1.479 0.5907 0.8818 0.9596 1.4666 1.4916 0.9191 1.0793 1.1007 2.561 0.8517 0.9375 0.6025 1.3201 0.4837 0.8542 0.4966 0.9968 0.6952 0.8235 0.7271 0.7666 1.5119 1.3966 1.9783 1.8367 2.036 2.2915 1.7456 1.7136 1.7703 1.5852 1.4678 1.2799 2-palmitoylglycerol (16:0) 0.7137 1.6927 1.0639 2.4663 1.0078 0.1924 0.2998 0.2995 0.2875 0.0653 0.1223 0.1594 1.6878 1.9342 2.2583 5.0864 1.2395 3.3445 2.5025 3.2147 0.1446 0.1972 0.3206 1.5787 2.1921 3.1125 2.2878 2.8728 0.7518 5.699 0.9922 8.5393 0.7757 1.5388 0.7478 1.1921 0.4358 0.3724 0.6794 1.1228 0.6733 1.438 1.5362 0.7383 0.4243 0.5505 0.2457 0.2123 2-phosphoglycerate 3.3172 2.7692 2.0183 2.6796 3.1343 6.5435 3.6865 2.6539 2.2859 2.1751 2.2511 2.0859 0.1083 0.1083 0.2588 0.1083 0.1083 0.1083 0.1083 0.1083 0.3964 0.2197 0.122 1.3403 0.1083 0.1083 0.1083 0.1083 0.1083 0.1149 0.1083 0.2852 0.4657 0.3766 0.544 0.5229 0.7173 0.8533 0.6175 0.6943 1.5473 0.7104 0.2663 0.4868 1.388 1.5517 1.1467 2.029 2-stearoyl-GPE (18:0)* 0.7619 0.9595 1.2052 1.3218 3.1257 0.9856 1.1672 1.0144 0.4245 0.8308 0.5349 0.5246 1.6446 1.2218 2.0537 1.4823 0.4523 1.7899 1.239 1.8801 0.8615 1.1669 0.7048 2.6153 0.6837 1.109 0.7788 1.0977 0.4048 3.4016 0.5879 3.4884 0.55 1.2153 1.1097 0.5377 0.2061 0.1504 0.3114 0.0723 0.4413 0.3623 0.4047 0.4625 2.6753 3.3218 1.5272 4.98 2R,3R-dihydroxybutyrate 0.2104 0.7398 0.2104 0.2104 0.2104 1.2412 1.503 0.2104 0.2104 0.2104 0.2104 0.2104 9.5412 8.3015 0.2104 0.2104 0.2104 0.2104 0.2104 0.2104 0.2104 0.9672 0.2104 0.2104 0.2104 1.0209 0.2104 0.2104 0.2104 0.2104 0.2104 0.2104 0.3991 1.2541 1 0.7635 0.6326 0.2104 0.2104 0.2104 0.2104 0.2104 0.6418 0.4854 0.9596 1.3491 1.2239 1.7182 2S,3R-dihydroxybutyrate 0.1955 0.1955 0.1955 0.1955 0.1955 0.9613 1.0141 0.1955 0.1955 0.1955 0.1955 0.1955 3.3224 1.5721 0.1955 0.1955 0.1955 0.1955 0.1955 0.1955 0.1955 1.2413 0.1955 0.1955 0.1955 1.5004 0.1955 0.1955 0.1955 0.1955 0.1955 0.1955 0.1955 0.9143 0.2594 0.1955 0.1955 0.1955 0.1955 0.1955 0.1955 0.1955 0.1955 0.3489 0.9626 0.9859 1.0854 1.2939 3-(4-hydroxyphenyl)lactate (HPLA) 1.1223 0.8683 0.5673 0.7126 0.4472 0.662 0.6886 0.5124 0.1618 0.234 0.4305 0.4213 10.7867 10.4385 2.8153 0.2497 0.8846 1.0827 0.1478 0.643 0.8985 1.1097 0.2517 0.9173 0.7115 0.8165 0.2013 2.3846 0.2259 0.4634 0.4898 1.3996 2.4039 2.7156 2.9143 3.1526 5.1557 4.7528 2.9465 3.6741 5.8557 6.4376 4.4981 5.2105 21.8033 26.9454 22.4634 35.7585 3-amino-2-piperidone 10.9486 13.3109 8.829 15.0973 0.7672 0.8103 0.6514 0.4411 0.556 0.6049 1.2128 0.7714 1.2891 1.7734 1.9027 0.6073 1.0418 1.2413 1.3509 1.9282 1.0004 0.9647 1 1.3519 0.5882 0.7894 1.5389 2.8864 0.2957 1.7067 1.2711 2.3755 0.6953 1.1343 0.7862 1.1134 0.6548 0.3334 0.4564 0.5596 0.2957 0.4663 0.524 0.2957 0.2957 0.9327 0.552 1.1552 3-formylindole 0.4351 0.532 0.4156 0.805 1.1176 1.3742 0.9728 0.6799 0.6345 0.8952 0.7155 0.9912 3.4995 3.3612 2.7901 0.9207 1.3089 1.5391 0.5136 0.7414 2.1479 2.8288 1.7698 3.6423 1.8229 1.7525 1.3279 2.3372 0.5108 0.8584 0.5591 1.0088 1.9769 2.1106 1.6729 1.5162 0.3476 0.2251 0.383 0.4629 0.7918 0.885 0.5415 0.4485 1.3204 1.2718 1.5787 1.1079 3-hydroxy-3-methylglutarate 4.7996 3.0645 2.5197 4.1299 2.4476 3.9076 3.8275 2.9382 0.8876 0.9645 2.3697 1.9675 25.9493 24.1115 1.4523 0.2435 1.2921 0.7746 0.3584 0.529 0.3007 0.3578 0.4594 1.6594 1.4667 1.4162 0.3078 0.6705 0.5667 1.0355 0.9055 1.7056 0.5477 0.5475 0.8731 0.7761 0.4744 0.346 0.3606 0.3314 1.1027 0.8358 0.5307 0.5333 6.876 7.0373 6.9885 11.9814 3-hydroxyisobutyrate 0.4461 0.4461 0.4461 0.4461 0.4461 0.4461 0.4461 0.4461 0.4461 0.4461 0.4461 0.4461 1.9575 2.043 1.208 0.4461 0.4461 0.5602 0.4461 0.4461 1.0345 0.9157 0.4461 0.4461 0.4461 0.4461 0.4461 0.4461 0.4461 0.4461 0.4461 0.4518 0.9655 0.9238 0.934 0.9146 0.4461 0.4461 0.4461 0.4461 0.4461 0.4461 0.4461 0.4461 1.8886 1.847 1.9239 2.8452 3-hydroxylaurate 2.8793 2.3622 1.6832 1.7563 1.5586 1.2286 1.9019 1.3885 0.6365 0.4998 1.3221 1.0017 12.8556 10.0601 1.2206 0.4128 0.7535 0.5205 0.8134 0.46 0.7018 0.6479 0.4798 0.7639 0.5765 0.5248 0.4634 0.7487 0.4972 0.6547 0.8246 1.0677 0.7054 0.3414 0.5432 0.5402 2.042 1.8456 2.5204 1.9843 2.6739 2.3138 2.8864 2.026 0.9983 0.9145 1.0654 1.5527 3-hydroxyoleate* 5.0477 11.9472 4.7527 17.5909 6.5074 1.4985 1.0325 1.092 1.1226 2.97 1.8131 2.1357 2.8297 4.6166 0.4434 1.419 0.3626 1.082 0.3616 0.5813 0.3519 0.4456 0.4605 4.6887 0.6339 1.0045 0.3018 0.6084 0.3046 2.1541 0.6183 4.0258 0.4296 1.2465 0.8935 1.1477 0.6829 0.5668 0.4115 0.6563 0.5315 1.483 0.732 0.3823 0.8135 0.9955 0.4335 1.8787 3-hydroxyoleoylcarnitine 1.1327 1 0.8896 0.8433 0.2778 0.2778 0.2778 0.2778 0.2778 0.2778 0.2778 0.2778 25.6106 19.8714 0.2778 0.2778 0.2778 0.2778 0.2778 0.2778 0.2778 0.2778 0.2778 0.2778 0.2778 0.2778 0.2778 0.2778 0.2778 0.2778 0.2778 0.2778 0.2778 0.2778 0.2778 0.2778 1.2556 0.9601 0.2778 0.2778 0.2778 0.2778 0.2778 0.2778 0.2778 0.2778 0.2778 0.2778 3-hydroxypalmitoylcarnitine 1.1874 1.1684 0.6675 0.554 0.554 0.554 0.554 0.554 0.554 0.554 0.554 0.554 21.3103 15.8155 0.554 0.554 0.554 0.554 0.554 0.554 0.554 0.554 0.554 0.554 0.554 0.554 0.554 0.554 0.554 0.554 0.554 0.7312 0.554 0.554 0.554 0.554 1.0853 1 0.8178 0.6146 0.554 0.554 0.554 0.554 0.554 0.554 0.554 0.554 3-methyl-2-oxobutyrate 1.1094 1.203 0.6545 1.5939 0.5816 1.3551 1.0114 0.3607 1.5018 3.1087 0.7373 0.5419 1.7552 1.7033 2.3287 0.406 0.576 0.9627 0.3607 0.3607 0.8223 0.7909 0.6592 0.9154 1 0.5183 0.3607 1.3456 0.3607 0.4159 0.3607 0.4592 1.1767 0.7863 0.7759 0.5641 0.7211 0.4299 1.4314 0.7963 2.3725 2.0843 1.7458 1.3805 6.9914 4.3678 7.5674 2.2432 3-methyl-2-oxovalerate 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 1.5702 1 1.9638 0.8402 3-methylcytidine 1.5969 1.9636 0.9383 1.7101 1.0617 1.7725 1.7033 0.7813 0.4536 0.4773 0.7746 0.7572 3.7235 2.1496 0.4536 0.4536 0.4536 0.4536 0.4536 0.4536 0.4536 0.6591 0.4536 1.0747 0.4536 0.4536 0.4536 0.4536 0.4536 0.4536 0.4536 0.5356 0.4536 0.4536 0.4536 0.4536 0.4536 0.4536 0.4536 0.4536 0.4536 1.4251 0.4536 0.4536 0.7221 0.4536 0.4715 0.4536 3-methylglutaconate 1.4898 1.0604 0.7559 1.3684 0.7708 1.2022 1.3278 0.9396 0.4177 0.4177 0.7249 0.646 7.5391 7.3996 0.4823 0.4177 0.4177 0.4177 0.4177 0.4177 0.4177 0.4177 0.4177 0.5332 0.5474 0.4662 0.4177 0.4177 0.4177 0.4177 0.4177 0.6365 0.4177 0.4177 0.4177 0.4177 0.4177 0.4177 0.4177 0.4177 0.4177 0.4177 0.4177 0.4177 2.2967 1.9765 2.2967 3.3502 3-methylhistidine 3.2897 3.6807 1 1.2281 0.9901 1.5511 1.4622 1.3207 0.2712 0.4844 2.1107 0.8156 7.0739 30.0319 0.8806 0.1869 0.1869 0.698 0.1869 0.1869 0.1869 0.428 0.1869 0.5899 0.2848 0.1869 0.1869 0.24 0.1869 0.3275 0.1869 0.7766 1.0985 0.6284 0.7001 0.5905 0.597 0.6149 1.2719 1.5962 2.5709 2.9611 2.24 2.7108 1.3605 1.257 0.8801 1.5923 3-phosphoglycerate 6.4652 5.4247 3.1601 5.7686 5.77 8.2415 5.7994 4.1939 2.9981 4.5065 3.3969 3.1325 0.0153 0.0204 0.7024 0.086 0.2384 0.3379 0.0249 0.0805 0.7221 0.816 0.317 2.2933 0.2954 0.3111 0.0312 0.1616 0.1903 0.1809 0.2165 0.6011 0.8357 0.8865 0.9938 1.0062 1.3973 1.3058 1.0286 1.2282 2.1521 2.2077 0.6566 0.8388 2.7212 2.7424 2.7972 4.8208 3-sulfo-L-alanine 0.8098 0.7918 0.6002 0.7008 2.0962 1.8318 2.7308 2.5354 0.2981 0.7472 2.3077 2.3417 2.6034 2.3052 1.1167 0.2981 0.2981 0.2981 0.2981 0.7506 0.2981 0.4614 0.4673 1.7937 0.2981 0.2981 0.4131 0.2981 0.2981 0.2981 0.2981 0.4367 0.2981 0.2981 0.2981 0.2981 0.2981 0.8827 0.5186 0.9927 0.6995 1.4941 0.8043 1.0073 1.4771 2.538 1.13 2.2143 3-ureidopropionate 0.1669 0.2697 0.1197 0.211 0.8131 1.3336 1 1.1104 0.5051 0.8319 1.3741 1.4114 5.0699 6.0054 1.9485 0.7933 1.5064 1.3387 0.4072 0.6766 2.1834 2.8757 0.3617 0.2673 0.6543 0.6932 0.1948 1.8064 0.1197 1.5594 1.0048 1.2064 1.7206 1.7564 0.9899 0.8797 0.1197 0.2113 0.1511 0.1854 1.1077 1.2106 1.0047 1.0789 0.1197 0.1197 0.1197 0.1872 4-acetamidobutanoate 1.4585 1.7904 1.1477 1.0125 0.9906 1.2042 1.2926 1.3384 0.4201 0.9476 1 1.0499 7.607 6.5029 0.6817 0.4201 1.0604 0.7897 0.4936 0.6881 0.6129 0.7902 0.4404 0.5354 0.6515 0.6249 0.4892 0.5676 0.6481 1.0721 0.4461 0.8404 0.8737 1.5845 0.845 1.6314 0.7758 0.7133 0.8462 1.1564 1.1208 1.2021 1.0382 1.4535 1.4575 1.3071 1.2369 1.9935 4-cholesten-3-one 1.2023 1.0417 0.8081 1.0587 1.0736 1.2663 0.8756 0.882 0.5896 0.7662 0.7923 0.9812 2.0749 1.9212 1.8342 0.8373 1.6858 4.2023 0.529 0.6874 2.3109 2.509 1.4363 1.6028 2.8788 2.6712 0.6608 1.9869 1.1684 1.0188 0.7092 0.916 4.7936 4.2968 4.3737 4.2555 0.3197 0.4013 0.286 0.315 0.2972 0.4458 0.286 0.286 0.5401 0.5681 0.5205 0.6156 4-guanidinobutanoate 2.1795 2.0714 1.6028 1.8479 0.7156 0.6753 0.1965 0.46 0.4031 0.6993 0.3042 0.6613 11.8529 13.5755 2.9261 1.9639 0.6464 1.1395 0.1965 0.7746 0.7713 0.9386 0.3824 1.7374 0.9348 1.0499 4.2307 5.2932 0.8726 2.4653 2.0982 3.0921 1.084 1 1.3063 1.4649 0.7321 0.6248 0.5845 0.6187 0.4058 0.6039 0.4243 0.2257 4.0305 3.8407 4.2195 3.3357 4-hydroxy-nonenal-glutathione 0.7828 1.0883 0.8749 1.5549 1.0964 1.189 0.9502 1.117 0.3538 0.5674 1.0606 1.3799 3.1397 4.0912 0.6243 0.3538 0.3611 0.3538 0.3538 0.3538 0.3538 0.3538 0.3538 0.3538 0.8893 1.0498 0.3538 0.3538 0.3669 0.3538 0.3538 0.6174 0.4078 0.4919 1.0844 1.1456 0.3538 0.3538 0.3538 0.3538 0.3538 0.3538 0.3538 0.3538 0.3538 0.3538 0.3538 0.3538 4-hydroxyglutamate 2.8842 2.7239 1.8655 1.29 0.531 1 1.0891 0.6351 0.2873 0.2873 0.6332 0.2873 5.3975 5.2828 0.7863 0.5708 0.2873 0.622 0.2873 0.2873 0.2873 0.2873 0.2873 0.2873 0.2873 0.2873 0.2873 0.2873 0.2873 0.2873 0.2873 0.2873 0.2873 0.2873 0.2873 0.2873 0.2873 0.2873 0.2873 0.2873 0.2873 0.2873 0.2873 0.2873 0.2873 0.2873 0.2873 0.2873 4-hydroxyphenylpyruvate 0.0795 0.0633 0.0615 0.0756 0.2666 0.234 0.2509 0.195 0.1017 0.1615 0.2024 0.1611 7.5704 5.5337 6.231 0.8351 2.3752 2.6786 0.4493 0.4141 2.7626 3.5172 1.6459 1.8093 4.0209 3.7604 2.4118 6.5412 0.4507 0.923 0.7832 1.841 1.7822 1.539 1.4381 0.9806 0.65 0.477 1.0194 0.6717 1.381 1.3171 0.7425 0.6267 25.6558 21.3691 30.3852 12.8325 4-imidazoleacetate 1.212 1.5677 0.731 1.0005 1.0504 1.0436 0.898 1.1609 0.854 1.2681 0.7318 1.3863 2.4056 3.5599 1.2107 0.8084 0.3102 0.7905 0.3102 0.9533 0.8667 0.9326 0.3102 1.4946 0.7872 0.3102 0.8697 1.1802 0.3711 0.794 0.7294 1.2454 0.6524 0.3381 0.5779 1 0.9709 0.8459 1.0474 0.9131 0.9047 1.2924 1.1283 1.0233 2.6292 2.3633 1.9474 2.647 4-methyl-2-oxopentanoate 0.2769 0.8566 0.2769 0.9987 0.2769 1.0013 0.2769 0.2769 0.2769 1.972 0.2769 0.2769 0.2769 0.8486 0.2769 0.2769 0.2769 0.2769 0.2769 0.2769 0.2769 0.2939 0.2769 0.6626 0.2769 0.2769 0.2769 0.2769 0.2769 0.2769 0.2769 0.2769 0.2769 0.2769 0.2769 0.2769 0.2769 0.2769 0.2769 0.2769 1.2213 1.0288 0.8688 0.5316 2.6643 2.1351 4.1438 1.8125 5-(galactosylhydroxy)-L-lysine 0.7654 0.8629 0.6252 0.709 0.8746 0.911 0.8184 0.8259 0.8671 0.9512 0.908 0.9956 3.7618 3.9377 6.3687 1.909 4.1235 2.1865 3.0616 3.1698 1.0044 1.1098 4.974 10.0228 1.994 1.9663 1.4954 1.7605 3.3525 3.2391 2.3536 3.8426 2.5286 2.512 2.8875 2.9149 0.9858 0.9888 0.9246 0.8858 0.3559 0.3761 0.3037 0.2959 0.4936 0.4761 0.4302 0.406 5-aminovalerate 0.1639 0.1639 0.1639 0.1639 0.1639 1.951 1.2889 0.7759 0.1639 0.1639 0.4056 1.3662 4.3551 6.1695 0.1639 0.1639 0.1639 0.1639 0.1639 0.1639 0.1639 0.1639 0.1639 2.2874 0.1639 0.1639 0.1639 0.1639 0.1639 0.7642 0.1639 0.1639 0.6245 0.7951 0.4705 0.1639 0.5905 0.6501 0.1639 1.4996 0.5725 1.0182 0.9818 0.5907 4.4986 4.6479 3.2987 6.7532 5-hydroxylysine 0.1102 0.1102 0.1102 0.1102 0.1102 0.1102 0.1102 0.1102 0.4807 0.7852 0.1429 0.1102 1.3632 1.1239 2.4913 0.8385 1.6818 0.9802 1.0789 1.3887 1.0115 1.1979 1.0893 2.5013 1.6437 1.2624 0.7899 1 0.6678 1.5421 1.0887 1.5569 0.9428 0.5955 0.7158 0.6586 0.1102 0.1102 0.1102 0.1102 0.1102 0.1102 0.1102 0.1102 0.447 0.391 0.4478 0.1102 5-methylthioadenosine (MTA) 1.1389 1.2159 0.6942 0.9973 1.4303 2.9377 2.7017 2.9054 0.8634 0.8115 3.8052 3.8081 24.2249 26.6249 1.0027 1.469 0.8669 0.7456 0.6147 0.5932 0.5004 0.607 0.7437 2.0449 0.8844 1.0639 0.7595 1.0797 0.6847 0.5938 0.3636 0.6379 0.9413 0.9951 0.981 1.3434 0.4087 0.5009 0.9422 1.0257 5.0897 9.8151 3.4435 4.921 1.1753 1.4596 0.9406 4.4306 5-methyluridine (ribothymidine) 0.5503 0.6104 0.5503 0.5503 0.8904 1.8829 1.1238 0.7218 0.5503 0.5503 0.5503 0.5503 1.4789 1.1902 0.5503 0.5503 0.5503 0.5503 0.5503 0.5503 0.5503 0.5503 0.5503 0.5503 0.5503 0.5503 0.5503 0.5503 0.5503 0.5503 0.5503 0.5503 0.5503 0.5503 0.5503 0.5503 0.5503 0.5503 0.5503 0.5503 0.7842 1.1096 0.5503 0.5503 0.5503 0.5503 0.5503 0.5503 5-oxoproline 1.5454 1.3461 1.0524 1.2557 0.6894 1.0096 0.7925 0.6857 0.3378 0.5405 0.9904 0.7792 6.3539 6.3211 1.2421 0.272 1.0678 0.797 0.5397 0.7305 1.0514 1.3189 0.4396 0.7723 0.597 0.6165 0.3089 0.554 0.1562 0.7446 0.5439 1.052 1.5538 1.5127 1.4464 1.3147 0.9283 0.7475 0.8725 0.8595 1.0332 1.0482 1.023 1.1095 2.0062 2.232 2.144 3.0098 7-HOCA 0.2563 0.2563 0.2563 0.2563 0.2563 0.2563 0.2563 0.2563 0.2563 0.2563 0.2563 0.2563 0.2563 0.2563 0.8943 0.2563 1.8542 0.6991 0.2563 0.2563 9.8418 11.6204 0.3237 0.2563 0.9728 1 0.2563 0.4392 0.2563 0.2563 0.2563 0.2563 1.3171 1.1849 0.2563 0.2563 0.2563 0.2563 0.2563 0.2563 0.5972 0.7227 0.2563 0.4408 1.4255 1.6555 1.4491 1.7738 7-hydroxycholesterol (alpha or beta) 3.3855 3.2258 2.3123 3.9809 1.6958 1.6134 1.4761 1.3145 0.8751 1.5581 2.1225 2.1464 5.061 4.8265 1.2589 0.5583 1 0.6045 0.3451 0.5506 1.2413 1.6263 1.3619 3.9113 0.6865 0.5463 0.325 0.4174 0.3405 0.9008 0.7124 0.9802 2.9431 2.4738 2.0464 1.8459 0.3028 0.4365 0.3416 0.328 0.706 0.741 0.3028 0.4214 0.7839 0.7408 0.5676 1.218 7-methylguanine 0.8333 1 0.8331 1.0002 1.379 2.0681 1.5699 1.236 0.4739 0.2616 1.1209 1.1072 3.059 2.0672 0.8288 0.2616 0.2616 0.2616 0.2616 0.2616 0.2616 0.2616 0.2616 0.9128 0.2616 0.2616 0.2616 0.2616 0.2616 0.2616 0.2616 0.2616 0.2616 0.2616 0.2616 0.6905 0.2616 0.2616 0.2616 0.2616 1.023 1.2727 0.545 0.5055 0.883 1.0146 0.8062 0.7016 acetylcarnitine (C2) 2.5617 2.6231 1.6642 1.7461 0.2869 0.5371 0.461 0.4335 0.1736 0.211 0.5405 0.4008 9.6011 11.4616 1.5466 0.5362 1.0561 0.748 0.3787 0.5175 0.9426 1.1822 0.4654 0.524 0.8017 0.8508 0.5201 0.6947 0.3707 0.8861 0.7247 1.3333 1.0112 1.0058 0.9642 0.9942 3.8298 3.2521 2.8894 3.084 2.9553 3.2894 2.7668 2.5017 6.8646 7.056 6.5919 5.3655 acetylphosphate 3.2112 2.9186 1.474 2.6046 3.7393 5.0035 3.6551 2.7923 1.4134 2.1605 2.4317 2.6295 1.6433 1.7544 1.0503 0.145 0.5268 0.5559 0.1186 0.2612 0.5569 1.2678 0.4004 1.6343 1.1653 1.0371 0.1595 0.3038 0.3949 0.3886 0.618 0.9622 0.6357 0.6703 0.7017 0.8778 0.8897 0.6037 0.7272 0.9629 1.3872 0.8886 0.6325 0.6044 2.0491 2.0804 1.7824 3.7057 aconitate [cis or trans] 0.9428 0.8103 0.7573 0.7091 0.5602 0.4137 0.5869 0.6832 0.5611 0.4811 0.6877 0.8614 4.1536 4.5754 2.1043 0.605 1.5976 1.2953 0.9341 0.9241 0.9916 1.0703 1.336 2.4674 2.0102 1.879 0.8622 0.7395 0.8542 1.2709 1.0952 1.8295 1.1762 1.189 1.147 1.0084 0.7887 0.636 1.314 1.2892 1.0936 1.1185 1.1339 0.9912 0.848 1.0161 0.841 2.323 adenine 1.3847 1.713 1.677 2.1496 1.9735 2.4486 2.4285 2.794 1.5707 1.621 1.9354 2.5557 2.7651 4.9631 0.3748 0.5377 0.7265 0.6714 0.3662 0.4904 1.0087 1.3293 0.67 1.8288 0.9286 1.0981 0.3617 0.6517 0.6094 0.4272 0.3789 0.8043 0.8761 1.0495 0.9913 1.0417 0.6484 0.7637 0.8447 0.8497 0.9008 1.231 1.0954 1.3223 0.9586 0.9449 0.7332 1.7052 adenosine 3.9826 2.3772 1.315 1.5175 3.9448 4.1569 5.7013 7.8079 4.1799 4.5033 7.3839 16.396 18.3549 42.3229 0.3553 0.3258 0.2514 0.2861 0.3085 0.4654 0.5758 1.3531 1.4361 3.0939 0.4562 0.4621 0.2628 0.296 0.3581 2.0293 1.8278 2.0896 0.5309 0.5781 0.6347 0.6466 0.704 0.587 1.1037 1.2859 0.6946 0.8894 0.8626 1.0425 0.7066 0.9575 0.6341 1.5256 2'-AMP 1.5555 1.6927 0.8113 1.7834 0.2941 0.1668 0.3396 0.1687 0.1775 0.638 0.5685 0.5863 12.4063 5.2296 10.7382 1.5502 1.2483 4.5482 6.0761 7.8919 0.1668 0.2339 1.7228 2.3706 0.211 0.1668 3.4951 6.016 0.1668 0.9966 1.0034 1.2637 0.3463 0.4698 0.1668 0.1668 1.1053 0.5075 0.4254 0.5558 5.3471 1.2118 0.3106 1.0127 0.7197 0.6987 0.3751 0.1668 adenosine 3',5'-cyclic monophosphate (cAMP) 0.8182 1.0972 0.7403 1.5827 1.1308 1.2775 1.4308 1.2935 0.2228 1.1634 0.92 1.8795 2.4207 2.7879 0.6781 0.2228 0.2228 0.5578 0.2228 0.2228 0.4134 0.9844 0.2228 1.2638 0.5404 0.2228 0.2228 0.2228 0.2228 0.2228 0.2228 0.5276 0.8942 0.9528 0.2228 1.3137 0.2228 0.2228 0.2228 0.2228 1.1236 1.0156 0.2228 0.2228 0.6194 0.8782 0.6612 1.3317 3'-AMP 1.2742 1.7509 1.3354 1.8602 0.7039 0.2345 0.4843 0.5881 1.0077 1.0299 1.3447 2.183 0.2433 0.216 0.9923 1.2046 0.4846 0.6445 2.4443 3.0069 0.9172 1.2264 0.763 1.2692 0.5626 0.6682 0.3666 0.6606 0.8039 0.4505 0.5274 0.7078 0.9043 1.1144 0.8915 1.213 4.6065 2.0846 0.9289 1.8059 6.3114 0.4983 0.7375 2.4623 1.4831 1.9669 1.2871 1.1212 adenosine 5'-diphosphoribose (ADP-ribose) 2.2626 2.0813 2.0936 2.546 2.9349 0.6717 2.7793 2.9237 0.6685 1 2.1641 2.2049 0.2799 5.7892 0.2799 0.2799 0.2799 0.2799 0.2982 0.471 3.4023 4.1321 0.3302 2.814 2.3914 3.1266 0.2799 0.2799 0.9511 0.3803 0.4021 2.0354 2.1897 2.4858 3.3699 3.5989 0.7117 0.5176 0.56 0.7343 0.3507 0.2799 0.5545 0.8916 0.7987 0.8299 0.8641 0.9654 AMP 1.2072 1.1949 0.9338 1.2566 1.5803 1.0705 2.3003 5.4084 0.5986 0.6209 1.6285 2.4457 16.6304 53.544 0.9779 0.6426 0.5005 0.6144 1.2208 0.3631 0.9451 1.0221 0.6812 0.5712 0.614 0.6523 0.3457 0.5451 0.4249 0.3985 0.3356 0.4917 0.7063 0.775 0.335 0.8255 10.8797 9.6819 5.5424 9.3589 3.0904 0.9058 9.2601 12.9865 4.8052 6.4772 4.4509 9.6539 adrenate (22:4n6) 1.19 2.4363 1.2253 3.9631 1.9912 0.2685 0.5962 0.4212 0.3327 1.0939 0.7971 0.7806 1.122 1.256 0.8569 3.1066 1.0523 2.9691 2.3243 3.1794 0.5787 0.6347 0.5293 4.5605 1.0663 1.5802 2.265 2.3511 0.2809 7.7959 1.4971 11.7278 0.4795 1.4547 0.9882 1.0011 0.9206 0.6863 0.7211 0.9705 0.8183 1.3412 0.9989 0.4019 0.5049 0.4534 0.2833 0.6159 alanine 0.7998 0.9665 0.6059 0.7268 1.0172 0.9335 1.0074 0.9508 0.8605 1.1997 0.9182 0.9452 2.7935 2.8274 2.5521 0.7968 0.9536 1.5215 0.6042 1.0175 1.1679 1.2941 0.9999 1.6437 1.1065 0.9756 1.0001 1.2338 0.6172 1.1671 0.9881 1.3835 1.2587 1.1786 1.18 1.0051 0.3488 0.3305 0.5229 0.4839 0.8823 0.7841 0.5363 0.5664 1.522 1.4786 1.4777 1.1879 alanylleucine 0.0711 0.2107 0.1385 0.229 0.1725 0.1545 0.134 0.1554 0.7195 1.5858 0.0711 0.2808 0.083 0.0947 0.8213 2.6909 4.3999 1.9595 10.1237 2.128 2.3492 2.8418 6.4849 0.6619 4.7346 5.2075 1 1.1744 2.5934 2.2278 0.6959 0.2378 2.1142 2.5244 1.8957 2.0989 0.0711 0.0711 0.0711 0.0711 0.0711 0.0711 0.0711 0.1408 0.0711 0.0821 0.0711 0.0711 allantoin 0.4646 0.7067 0.3031 0.259 1.8132 2.3932 2.0105 2.0428 0.8552 1.3846 2.4292 2.4624 9.2042 5.0714 1 0.1408 0.8159 0.4799 0.4759 0.2758 0.3342 0.513 0.1408 0.4096 0.1408 0.2213 0.7106 0.2026 0.3887 0.1408 0.3315 0.7195 0.8831 0.9484 0.5 1.2146 1.6152 1.3043 1.4682 1.1616 2.5773 1.8362 1.9164 1.9043 2.941 3.0916 3.402 4.1481 alpha-hydroxyisovalerate 0.197 0.197 0.197 0.197 0.197 0.197 0.2899 0.2409 0.197 0.197 0.197 0.197 0.412 0.2655 0.3456 0.197 0.5946 0.197 0.197 0.197 1.009 1.04 0.197 0.197 0.197 0.197 0.197 0.197 0.197 0.3719 0.4114 0.4252 0.6366 0.4446 0.197 0.197 1.3236 1.1445 0.991 1.1783 2.1777 2.2221 2.5478 2.8522 2.1594 1.8599 1.8884 3.1181 alpha-ketoglutarate 0.8731 0.748 0.5247 1.0566 1.3763 2.2457 2.1198 1.4942 0.9335 1.3523 2.4882 1.5583 16.3132 12.9271 3.2697 0.4174 0.7921 0.905 0.5037 0.6564 0.5272 0.5718 1.5925 3.4946 1.0626 1.0088 0.7229 0.8534 0.7152 0.8472 0.6944 1.3694 0.9459 0.9212 1.2672 1.0449 0.4719 0.2769 0.708 0.5194 0.9912 1.2629 1.0428 0.7179 2.4592 1.678 2.8223 1.796 alpha-tocopherol 0.5163 0.2316 0.6079 0.2316 6.3313 7.2564 20.6114 18.8455 11.9422 14.0445 13.9306 10.6011 0.7321 0.6111 3.2589 0.7805 0.5176 0.4416 1 0.6975 1.8384 0.865 0.7581 0.2316 0.5415 0.5331 0.5023 0.2316 4.3452 1.201 0.8195 1.1767 0.2316 0.2316 0.2316 0.2316 0.845 0.8548 2.8514 2.6465 11.5698 11.1753 8.6876 9.2704 1.0563 0.8657 0.8429 0.7344 arabitol/xylitol 0.9745 0.4936 0.3933 0.5691 1.0057 1.3047 1.5045 0.7527 0.1988 0.1988 1.2696 0.888 0.1988 0.1988 0.1988 0.1988 0.2525 0.1988 0.1988 0.2076 0.1988 1.3043 0.1988 1.1023 0.1988 1.4282 0.6088 0.1988 0.1988 0.1988 0.3705 0.7446 0.1988 0.1988 0.1988 1.0766 1.541 0.1988 0.1988 0.7568 2.802 2.9093 0.9034 0.9943 1.4806 1.3063 1.4417 1.4383 arabonate/xylonate 1.0791 0.7314 0.4964 0.4619 1.0343 0.4619 0.7388 0.682 0.6203 1.0659 0.4619 0.4619 3.5173 3.7598 1.5532 0.4619 0.8433 0.8465 0.6508 1.0552 1.2521 1.3588 0.8814 1.4706 1.2018 1.2687 0.7789 1.2445 0.4694 1.1319 1.0557 0.9925 1.0994 1.1443 1.206 1.2251 1.161 1.0075 0.8712 0.5372 0.7875 0.7084 0.6663 0.4619 0.9785 0.4619 0.8742 0.8384 arachidate (20:0) 1.0279 1.9051 1.3449 2.4286 2.2493 0.7103 0.7069 0.6673 0.6372 0.877 0.7753 0.7295 1.2005 1.3145 0.6838 1.8621 0.4995 1.2812 0.7836 1.0862 0.7624 0.8394 0.5898 3.3104 0.7694 1.3348 0.9746 0.8579 0.5906 3.4816 0.9875 4.2155 0.4078 1.2258 1.0043 1.3508 1.0829 0.9425 0.7633 1.407 0.9957 2.0555 2.0959 0.9814 1.063 1.0637 0.5845 1.0169 arachidonate (20:4n6) 2.3552 4.9925 2.4473 6.7815 3.2505 0.3326 0.6239 0.6316 0.3819 0.9095 0.6928 0.6088 0.861 0.8441 1.4758 7.3235 1.0643 4.0482 2.8524 4.9062 0.8518 0.9472 0.7042 10.0851 1.1308 2.0994 5.6229 2.8038 0.4605 9.9843 2.1005 13.9086 0.4639 1.7874 1.1529 1.0528 0.7427 0.481 0.4034 0.7514 0.9466 1.7465 1.3472 0.6477 0.7891 0.8586 0.4302 0.8262 arachidonoylcarnitine (C20:4) 1.3555 2.0852 0.8728 1.7934 0.3303 0.3303 0.3303 0.3303 0.3303 0.3303 0.3303 0.3303 9.6085 15.6093 0.3303 0.3303 0.3303 0.3303 0.3303 0.3303 0.3303 0.3303 0.3303 0.4206 0.3303 0.3303 0.3303 0.3303 0.3303 0.3303 0.3303 0.8926 0.4639 0.8722 1 1.6428 3.4048 2.6051 0.3303 0.3303 0.4357 0.7377 0.3303 0.3303 0.3303 0.3303 0.3303 0.3303 arachidoylcarnitine (C20)* 3.3967 3.707 2.2554 2.7399 0.7561 0.9056 0.5554 0.5554 0.5554 0.7812 0.5554 0.7675 3.9365 3.8991 0.5554 0.5554 0.5554 0.5554 0.8168 1 0.6577 0.7765 1.401 5.49 0.5554 0.5554 0.868 0.5554 0.5554 1.2449 0.8319 2.188 0.5554 0.5554 0.5554 0.5554 2.5353 2.2352 1.8963 2.0323 0.5554 0.8513 0.6601 0.5554 0.5554 0.6862 0.5554 0.907 argininate* 0.1375 0.1375 0.1375 0.1375 0.1375 0.1375 0.1375 0.1375 0.1375 0.1375 0.1375 0.1375 0.1375 0.1375 0.1375 0.1375 0.1375 0.1375 0.1375 0.1375 0.1375 0.1375 0.1375 0.1375 0.1375 0.1375 0.1375 0.1375 0.1375 0.1375 0.1375 0.1375 0.1375 0.1375 0.1375 0.1375 1.0671 1 0.3863 0.3453 0.1375 0.333 0.1375 0.3036 4.3082 4.8304 3.626 1.9472 arginine 0.5584 0.694 0.461 0.5927 0.7144 0.6899 0.6623 0.6034 1.0066 1.3006 0.7096 0.727 1.4786 1.4175 2.2912 0.9019 1.1633 1.5559 0.6352 0.9291 1.3125 1.4565 1.2872 1.658 1.3208 1.2368 0.9934 1.2551 0.8283 1.4066 1.3162 1.4565 1.4269 1.3199 1.3796 1.2753 0.1931 0.1855 0.2647 0.2643 0.6921 0.5682 0.3536 0.3731 1.2272 1.1769 1.1939 0.7987 argininosuccinate 0.4502 0.4468 0.3035 0.4229 1.6192 2.1433 2.2659 1.42 0.7589 1.5256 1.7627 1.7838 21.8456 17.8305 3.9004 0.5437 0.6294 1.2226 0.955 0.9546 0.774 0.9005 0.7697 1.7053 1 1.0642 0.5825 1.343 0.265 1.0517 0.6837 1.5283 1.0536 1.097 1.088 0.9749 0.1344 0.1344 0.1344 0.1561 0.3486 0.3406 0.1344 0.1899 1.0117 1.0519 0.9772 1.3309 asparagine 0.7726 0.8645 0.6528 0.7194 1.9072 1.3845 1.7242 1.5583 0.92 1.2267 1.02 1.1322 2.6296 2.4007 2.5606 0.5381 0.7013 1.2046 0.5967 1.0066 0.9804 1.0843 0.9934 2.014 0.9477 0.8872 0.7118 0.9451 0.5416 0.8182 0.8246 1.3824 1.0695 1.036 1.076 0.9437 0.3661 0.3435 0.5376 0.5796 1.8384 1.3535 0.6226 0.9081 2.2803 2.3526 2.2339 1.6662 aspartate 1.4849 1.4724 1.2641 1.9328 1.9089 2.4575 2.3564 1.8175 0.9966 1.3545 2.8767 2.278 12.12 11.3877 2.0752 0.3117 0.6661 1.0063 0.6086 0.8476 0.8497 1.0034 0.8047 1.7409 0.691 0.7093 0.6443 1.0821 0.4823 0.5648 0.4758 0.9405 0.7404 0.7521 0.7735 0.7648 0.5138 0.4313 0.5826 0.7179 1.0909 1.1896 0.4643 0.625 1.3185 1.3471 1.3043 1.989 behenoyl dihydrosphingomyelin (d18:0/22:0)* 3.8564 4.267 1.7687 4.4073 1.2066 1.1523 1.5265 1.3812 0.4216 0.8506 1.7229 1.8527 1.7731 1.4073 1.903 0.1714 0.4607 0.9804 0.7592 0.8301 0.7305 0.8217 1.4873 4.045 0.631 0.6323 0.8091 1.017 0.2383 0.4869 0.245 0.6586 1.9005 2.0189 1.815 1.5075 0.3521 0.2954 1.0803 0.8365 2.8351 2.8317 0.9313 0.9852 0.8426 0.9157 0.7717 1.0148 behenoyl sphingomyelin (d18:1/22:0)* 2.0667 2.1208 1.2248 1.8682 0.9492 1.2257 0.9838 1.1999 0.4738 0.7684 0.7676 0.8659 1.181 1.2704 1.4167 0.4126 0.673 1.0162 0.7202 0.7481 1.3105 1.1761 1.2228 1.4773 0.8153 0.696 0.7518 0.9006 0.4119 0.5973 0.3702 0.6227 1.6246 1.6514 1.5549 1.1662 0.3739 0.3101 0.515 0.5038 1.2487 1.1562 0.7285 0.8373 1.4381 1.5431 1.3548 1.6092 beta-alanine 1.395 1.967 0.8768 1.1912 0.8416 1.8207 1.4732 1.0025 0.5144 0.7705 1.0497 1.3566 8.7802 8.4219 0.5076 0.1802 0.8423 0.8471 0.5306 0.422 0.7243 1.4458 0.1859 0.6127 0.4599 0.9197 0.9975 0.6046 0.2332 0.5434 0.4878 1.0694 0.9224 0.5448 0.925 0.6603 5.765 4.9386 4.4016 4.1567 2.9218 3.1643 2.583 2.7653 12.7461 13.5089 11.9628 16.5356 beta-citrylglutamate 0.4253 0.375 0.2848 0.4515 0.8546 1.0717 1.2291 1.0319 0.2744 0.3343 0.749 0.7001 6.541 5.831 3.7711 0.9486 1.3456 1.9329 1.0433 1.3098 0.2427 0.3304 0.9587 1.2982 1.1335 1.2182 1.3079 2.2328 0.9681 0.7344 0.6786 1.3973 1.452 1.5909 1.1227 1.1053 0.2033 0.2143 0.2639 0.3261 0.3505 0.4332 0.1971 0.2746 1.5295 1.7623 1.5256 2.3121 beta-guanidinopropanoate 0.6926 0.5427 0.3376 0.2516 0.7367 1.2834 1.3828 0.6831 0.2516 0.2516 1.2246 0.9312 6.5369 5.8834 0.2516 0.2516 0.2516 0.2516 0.2516 0.2516 0.2516 0.2516 0.2516 0.2516 0.2516 0.2516 0.2516 0.2516 0.2516 0.2516 0.2516 0.3897 0.2516 0.3352 0.4551 0.3603 2.0486 1.0774 1.0885 0.9589 0.8838 1.4437 0.6226 1.0411 2.6191 3.5491 3.179 5.9047 beta-hydroxyisovalerate 0.6852 0.7296 0.9156 1.2329 0.9645 1.0008 0.9777 1.1668 0.8126 1.4024 1.1337 2.0999 5.65 4.8172 3.6183 0.7948 0.8733 1.2884 0.9845 1.2092 1.2526 0.9919 0.7006 1.1116 0.9992 0.9425 0.8093 1.1968 0.6763 0.8178 0.6209 1.05 2.3342 2.1531 1.8191 1.6875 0.5286 0.5333 0.5679 0.6095 1.1568 0.9551 0.7549 0.8969 2.1608 2.1038 2.1851 2.5442 beta-hydroxyisovaleroylcarnitine 0.8939 0.4473 0.292 0.6122 0.2365 0.2827 1.2415 0.6787 0.2819 0.2365 0.2839 0.449 15.6909 16.368 3.6448 1.7551 1.0691 1.4694 1.0499 1.0124 0.9983 1.0736 0.8486 0.8649 1.6795 1.668 1.2801 1.9753 0.2365 1.4149 1 1.5799 1.1478 0.3958 1.0886 0.8296 0.4384 0.2443 0.2365 0.2758 0.5956 0.9934 0.3766 0.3385 4.0934 4.043 3.9359 6.3699 betaine 1.163 1.1982 0.8074 0.7821 0.824 1.1992 1.0351 0.923 0.3247 0.4732 1.1911 0.9835 16.6127 16.6589 1.9167 0.1988 0.9145 0.9096 0.435 0.6399 1.0833 1.0165 0.688 0.582 0.9181 0.903 0.2853 0.9622 0.3305 0.5211 0.3595 0.6982 0.9335 0.9454 1.4106 1.0586 6.8601 5.2182 5.2462 5.4177 16.3456 17.9156 11.507 10.5909 8.0191 8.8688 8.1369 11.2727 bilirubin 0.2046 0.2046 0.2046 0.2046 0.2046 0.2046 0.9278 0.5597 0.2046 0.2046 0.2046 0.2046 0.2046 0.2046 0.2046 0.2046 0.2046 0.2046 0.2046 0.2046 0.2046 0.2046 0.2046 0.2046 0.2046 0.2046 0.2046 0.2046 0.2046 0.2046 0.2046 0.2046 0.2046 0.2046 0.2046 0.2046 0.2046 0.2046 0.2046 0.2046 2.2286 2.2445 0.8085 1 2.0841 1.7428 2.0166 0.9222 butyrylcarnitine (C4) 1.8253 1.1168 0.8613 1.4787 1.0495 1.3879 1.6408 1.725 0.0518 0.3786 1.3212 0.9505 18.5855 22.4797 0.2372 0.0518 0.0861 0.0518 0.0656 0.0518 0.086 0.0534 0.4435 0.0518 0.0518 0.0518 0.0518 0.0518 0.2094 0.308 0.2768 1.0593 0.3351 0.1354 0.5349 0.5245 2.3945 1.5603 2.3843 2.2832 24.2813 25.1141 15.6777 17.8284 0.5767 0.4655 0.5727 1.5137 C-glycosyltryptophan 1.8894 2.3223 1.9272 2.2015 0.9998 1.0002 1.1316 0.8157 3.6734 4.9027 4.4492 4.7337 4.1817 4.0128 1.4291 0.4083 1.263 0.393 0.4039 0.6121 0.5824 0.7048 1.7963 3.6168 1.9592 2.1489 0.4344 0.4634 0.9713 1.5751 1.3445 2.3752 0.7254 0.6913 0.6468 0.7486 0.2865 0.2865 0.2865 0.2865 0.2865 0.2933 0.2865 0.2865 0.3442 0.4435 0.3507 0.3121 carnitine 1.2814 1.3269 0.9655 1.0341 0.9523 1.1389 1.3096 0.9453 0.3234 0.3958 1.3413 0.9783 5.1609 5.002 1.183 0.4867 0.9904 1.0241 0.3394 0.5875 0.8329 0.9169 0.5935 0.6291 1.452 1.4832 0.4552 1.3915 0.4081 1.2189 1.0096 1.7536 0.6162 0.6532 0.8306 0.8336 1.1636 1.1337 0.8237 1.1471 0.7728 0.8372 0.8426 1.103 1.2087 1.5824 1.0996 2.9247 carnosine 0.1994 0.3048 0.2373 0.205 0.1663 0.2017 0.1896 0.1289 0.1289 0.1289 0.1913 0.139 53.2999 44.8581 5.9482 2.5989 3.0603 0.7851 0.1289 1.4015 3.4762 4.4814 1.3334 1.8491 4.1393 4.9591 0.1289 3.1595 0.1289 4.0618 4.0064 6.4134 1 1.4777 2.4385 2.6385 0.58 0.3393 0.2506 0.5651 0.3164 0.207 0.2756 0.1917 0.9941 0.7674 1.1452 1.91 ceramide (d16:1/24:1, d18:1/22:1)* 5.3899 6.0577 3.6033 5.3685 0.46 0.5135 0.4646 0.4818 0.2586 0.3648 0.3417 0.4392 1.7866 1.3995 1.8836 1.455 0.8773 1.7194 1.6497 2.1004 1.2368 1.5556 1.3221 4.5674 0.851 0.9029 1.6185 2.2454 0.5476 1.6165 1.0768 1.4863 1.0481 1.1021 0.2783 0.1753 0.9675 0.2387 0.9494 0.9482 1.0325 1.1203 0.677 0.6178 0.3956 0.161 0.1931 0.2716 ceramide (d18:1/14:0, d16:1/16:0)* 2.1285 2.0051 2.149 2.1188 1.0437 1.2618 1.0707 1.0036 0.8417 0.8336 0.8207 0.7687 1.5611 1.5652 1.5018 1.2719 0.5719 1.0511 0.6939 0.7513 0.7625 0.7073 0.9964 2.3092 0.717 0.7855 0.836 1.3588 0.7539 0.8362 0.7757 0.9154 0.9811 1.1453 0.799 0.7757 2.4179 2.7733 2.4266 2.5053 2.6918 2.7839 2.0211 2.2074 0.4325 0.3294 0.3911 0.2623 ceramide (d18:1/17:0, d17:1/18:0)* 5.5774 6.0904 4.2589 6.1304 0.3242 0.3574 0.322 0.2696 0.3318 0.5593 0.516 0.6093 1.9901 1.5081 1.5018 0.9674 0.824 1.5999 1.7896 2.0672 2.5855 3.0847 2.2073 6.2415 1.0361 1.073 1.6282 2.2237 0.5589 1.4198 0.953 1.4408 1.6453 1.5413 1.251 1.0326 0.1962 0.1798 0.2477 0.2325 0.3275 0.3619 0.2121 0.1963 0.1645 0.1978 0.1811 0.1194 ceramide (d18:2/24:1, d18:1/24:2)* 1.673 1.7348 1.0619 1.3764 0.581 0.623 0.5424 0.531 0.3064 0.4546 0.3638 0.4369 1.1898 0.9362 1.5576 0.9069 0.803 1.3042 1.1174 1.3579 1.2372 1.4853 1.0849 3.0757 0.6983 0.7753 1.3022 1.2488 0.5324 1.2262 0.8953 1.2309 0.8782 0.9285 0.7065 0.6519 2.216 1.8244 2.0236 2.1736 1.3081 1.5343 1.0613 0.9387 0.3228 0.3282 0.3182 0.209 cholesterol 1.1406 1.103 0.7369 0.8528 1.3715 1.2258 1.4099 1.2501 0.6529 0.8465 1.0593 1.0991 1.6351 1.116 1.6642 0.4847 1.0106 0.8993 0.7747 0.7048 1.6248 1.6664 1.2661 1.4342 0.8509 0.8669 0.6996 0.7996 0.48 1.0183 0.6731 0.799 1.2953 0.9894 0.9053 0.7152 0.6185 0.4633 0.7233 0.6106 1.331 1.1845 0.9679 0.8404 1.2812 1.4134 1.4662 1.1398 choline 1.9135 1.9367 1.5132 1.8636 0.6964 1.1592 0.8737 0.5986 0.4482 0.6477 0.6546 0.5827 5.6531 5.3628 2.4784 0.5729 1.0103 1.1301 0.6104 0.6978 0.9897 1.0533 0.944 1.1736 0.6218 0.6176 0.5897 0.6517 0.4612 0.7452 0.6105 0.7228 0.8547 0.8238 0.8929 0.8431 1.6064 1.3135 1.6127 1.55 4.1729 4.6036 3.2685 2.8497 1.5103 1.461 1.5041 1.8701 phosphocholine 2.1228 2.0837 1.4884 2.0087 3.3006 4.2102 4.4187 3.4207 0.6729 0.7801 1.9669 1.5835 5.777 5.5452 1.2273 0.3375 0.3567 0.7748 0.3316 0.407 0.4036 0.4297 0.4415 0.6669 0.6584 0.6625 0.4761 0.9891 0.6381 0.3422 0.3129 0.5454 0.8579 0.8048 0.7937 0.727 1.4875 1.263 1.8091 2.2817 3.3371 3.2722 2.0866 2.2194 1.0109 1.0599 0.9548 2.1946 citrate 0.6091 0.5823 0.5652 0.5448 0.3614 0.3126 0.3803 0.4606 0.4086 0.4351 0.4669 0.5428 4.6421 4.9228 2.0127 0.6782 1.5904 1.4899 1.1029 1.2539 0.9525 1.1061 1.3028 1.7322 1.5725 1.5903 1.118 1.0099 0.8603 1.4914 1.0605 1.9187 0.9418 0.9901 0.9055 0.8508 0.645 0.6307 1.4472 1.3326 1.1942 1.3872 1.5388 1.3851 0.6904 0.9328 0.7185 1.9361 citrulline 1.1916 1.4463 0.9768 1.0057 1.1444 1.6343 1.3405 1.1686 0.9341 1.1038 1.2058 1.0687 1.1212 1.3894 0.6047 0.3908 0.6418 0.7595 0.6034 0.4294 0.6406 0.857 0.488 0.7926 0.7875 0.3744 0.8557 0.4316 0.7232 0.7444 0.7453 0.5715 0.9943 0.9772 0.8159 0.813 1.832 1.9181 2.0032 2.4041 6.5194 4.8379 2.7341 3.0248 3.5446 3.8311 2.0961 3.7885 CoA-glutathione* 0.6511 0.61 1 0.8743 2.0955 1.7383 2.0916 3.2523 0.1216 0.215 1.6108 2.7664 1.6596 1.6429 0.1216 0.1216 0.1216 0.1216 0.1216 0.1216 0.1216 0.1216 0.1216 0.1216 0.2802 0.3741 0.1216 0.1216 0.1216 0.1216 0.1216 0.1613 0.1216 0.1216 0.2233 0.2547 0.1216 0.1216 0.1216 0.1216 1.5421 1.4813 0.7887 1.4264 0.1216 0.1216 0.1216 0.1216 CoA 0.8554 0.8972 1.3389 0.8134 4.9256 5.835 5.7906 4.1922 1.1706 1 4.0518 3.436 6.9357 6.6374 0.2992 0.2992 0.2992 0.2992 0.2992 0.2992 0.2992 0.2992 0.2992 0.4883 0.2992 0.2992 0.2992 0.2992 0.2992 0.2992 0.2992 0.4131 0.2992 0.2992 0.2992 0.2992 0.4145 0.4237 0.4724 0.68 1.2393 1.421 0.6042 0.8796 0.2992 0.505 0.2992 1.2033 creatine 1.4234 1.4174 0.8623 1.0033 1.4973 1.9878 2.0653 1.6938 0.9616 1.1162 2.384 2.0493 10.8199 10.6827 0.9546 0.5198 0.7443 0.8049 0.3661 0.6644 0.6126 0.7632 0.6217 1.0455 1.5329 1.6242 0.4111 1.0766 0.8275 1.2673 0.9839 1.9983 0.9211 0.9967 1.2307 1.3397 0.6254 0.6054 0.3578 0.4404 0.2705 0.3494 0.2972 0.3409 2.524 2.7904 2.3849 3.2189 creatine phosphate 1.787 2.1305 0.0811 0.282 0.7348 1.7358 0.9437 0.4418 1.3508 1.2172 0.2268 0.1774 28.1139 27.6901 3.1273 0.8517 1.5763 1.3833 0.6662 0.9753 0.8551 0.9543 1.5023 2.2606 4.8874 4.7806 0.6157 2.3558 2.7596 3.7015 3.2671 6.985 1.9251 1.9129 3.5186 3.1664 0.3219 0.2552 0.1705 0.2032 0.1432 0.119 0.0811 0.1017 0.9447 0.9214 1 0.5059 creatinine 1.0338 1.2755 0.52 0.7246 0.7552 1.3022 0.9766 0.8637 0.6698 0.8531 1 0.987 12.1649 12.5643 1.6955 0.6723 0.8299 1.039 0.5029 0.9452 0.8004 1.0389 0.8453 1.616 1.7388 1.8079 0.6958 1.3643 1 1.658 1.1352 2.7011 1.1942 1.3471 1.4836 1.6841 0.4919 0.4984 0.4502 0.517 0.4834 0.6663 0.4786 0.5592 1.225 1.395 1.1597 1.4641 cyclic dGSH 0.5582 0.2952 0.2952 0.2952 0.4354 1 1.5831 0.2952 0.2952 0.2952 4.4118 0.3306 39.6303 23.3517 0.2952 0.2952 0.2952 0.2952 0.2952 0.2952 0.2952 0.2952 0.2952 0.2952 0.2952 0.2952 0.2952 0.2952 0.2952 0.2952 0.2952 0.2952 0.2952 0.2952 0.2952 0.2952 0.2952 0.2952 0.2952 0.2952 0.2952 0.2952 0.2952 0.2952 0.2952 0.2952 0.2952 0.2952 cystathionine 2.4863 2.2664 1 1.2925 3.7702 5.5632 5.5687 4.3292 0.9233 1.0345 2.5625 1.8164 3.5386 3.6046 0.0903 0.0903 0.0903 0.0903 0.0903 0.0903 0.0903 0.0903 0.2225 0.5351 0.0903 0.0903 0.0903 0.0903 0.0903 0.0903 0.0903 0.2362 0.1144 0.0981 0.2218 0.1235 0.0903 0.0903 0.4609 0.3033 1.5783 1.7129 0.6639 0.8354 0.0903 0.0903 0.0903 0.2469 cysteine 0.6955 0.7398 0.4227 0.4676 1.0323 1.0078 1.1132 0.9922 1.114 1.4931 1.702 2.0331 1.7147 1.7601 1.2437 0.1725 0.2762 0.4088 0.6644 0.9195 0.461 0.5154 1.2095 2.6714 0.5139 0.4722 0.3954 0.3993 0.2837 0.4739 0.3772 0.7157 0.3143 0.3027 0.3811 0.325 1.3735 1.0479 1.8444 2.3712 8.7923 8.4124 6.0817 5.8465 7.0986 7.3015 6.8627 9.6698 cysteine sulfinic acid 0.1609 0.1609 0.1609 0.2121 0.9046 1 1.2599 0.9098 0.3557 0.2903 1.2369 1.0149 0.1609 0.1609 0.1609 0.1609 0.1609 0.1609 0.363 0.2583 0.1609 0.1609 0.1609 0.4423 0.1609 0.1609 0.1759 0.1609 0.1609 0.1609 0.1609 0.2388 0.1609 0.1609 0.1609 0.1609 1.0509 0.5613 0.9255 1.0642 2.2092 1.6825 2.0649 1.619 1.4186 1.3113 1.984 2.6266 cysteine-glutathione disulfide 0.1489 0.1217 0.1217 0.1649 0.1678 0.1217 0.1217 0.1217 0.2172 0.304 0.1217 0.2381 0.1217 0.1217 1.0498 0.1714 1.5799 0.944 1.8562 3.0184 0.1217 0.1217 0.3781 2.2352 1.3318 1.1008 0.4783 3.7539 0.2983 1.6667 1.04 0.6141 1.3308 1 0.4445 0.296 0.3492 0.2787 0.3713 0.4096 11.0639 11.0807 9.9075 9.7446 1.1134 1.3989 1.2351 1.381 cystine 0.028 0.028 0.028 0.028 0.028 0.028 0.028 0.028 0.028 0.028 0.028 0.028 0.028 0.028 0.0461 0.2895 0.0861 0.4558 1.0355 1.564 0.6662 0.9645 1.4793 1.4265 0.0414 0.028 0.914 0.5223 0.028 0.0942 0.0604 0.028 0.0824 0.0429 0.028 0.028 1.3198 1.9721 1.9979 2.0001 1.4848 0.9577 1.7204 1.0693 4.8785 6.1354 5.2236 7.5721 cytidine 1.036 0.9671 0.2613 0.615 0.8415 1.0909 1.7997 0.9386 0.3518 0.3025 1.2479 1.05 14.7494 12.1551 1.0329 0.5199 2.4827 2.9058 1.658 2.2195 0.0616 0.0781 0.1607 0.1278 2.066 2.2612 1.6611 1.8422 2.3594 1.9973 1.4662 2.3401 3.89 4.1097 4.4679 4.5073 0.037 0.0352 0.0452 0.0531 0.2476 0.2607 0.1893 0.1612 0.1065 0.1473 0.107 0.1774 CMP 0.5177 0.5102 0.4662 0.6509 1.5403 1.2908 2.2919 2.6068 0.7562 1.1561 1.8653 1.7096 5.4565 8.1157 0.6969 0.2669 1.0945 0.7615 0.3278 0.4646 0.6273 0.7239 0.9899 1.7119 1.0962 1.1739 0.1784 0.552 0.4704 1.3757 0.9298 1.4125 0.5123 0.4504 0.4978 0.6407 0.7996 0.7958 0.8453 1.0101 1.2038 1.4462 1.2292 1.3075 3.097 3.4547 3.0347 5.2012 cytidine 5'-monophospho-N-acetylneuraminic acid 0.5958 0.5635 0.4479 0.6188 1.3167 1.4678 1.5318 1.4647 0.9216 1.1156 1.8352 1.6613 3.8366 3.3571 0.8011 0.2638 1.4293 0.8133 0.4502 0.5135 0.7027 0.676 1.2932 1.8029 1.3046 1.3013 0.1237 0.5397 0.4358 1.735 1.1477 1.3972 0.4666 0.4852 0.6508 0.5329 0.7256 0.6014 0.6333 0.5835 1.6536 1.3083 1.0784 0.9162 2.3635 2.1701 2.5565 4.4039 CDP-ethanolamine 0.8962 0.5697 0.5697 0.5697 0.7126 1.4059 1.2568 0.7967 0.5697 0.5697 1 0.6872 16.3619 18.7422 0.5697 0.5697 0.5697 0.5697 0.5697 0.5697 0.5697 0.5697 0.5697 0.7725 0.5697 0.9348 0.5697 0.5697 0.5697 0.5697 0.5697 0.979 0.5697 0.5697 0.5697 0.5697 0.5697 0.5697 0.5697 0.5697 0.5697 0.5697 0.5697 0.5697 1.3581 1.4225 1.245 2.7858 cytosine 0.3596 0.3596 0.4049 0.5274 1.1468 1.1572 1.5074 1.9688 1.5658 2.1497 1.1144 1.9044 1.2546 1.5446 0.3596 0.3596 0.495 0.4472 0.3596 0.3596 0.7351 1.0706 0.3596 2.0936 0.8336 0.8843 0.3596 1.6401 0.4546 0.3596 0.3596 0.6596 0.9294 1.1162 0.9095 1.1117 0.3596 0.3596 0.3596 0.3596 0.3596 0.7989 0.4848 0.5852 0.3596 0.3596 0.3596 0.3596 deoxycarnitine 1.1713 1.1793 0.7129 0.7207 0.8091 1.2241 1.1033 0.9132 0.4078 0.398 1.3441 1.1013 23.7794 23.6429 0.994 0.4191 1.0046 0.9207 0.2636 0.5247 0.6981 0.9351 0.4446 0.5534 0.9239 1.1089 0.296 1.1709 0.287 0.9954 0.8229 1.3388 0.7602 0.6714 0.943 0.8823 3.1756 2.7268 2.1943 2.4512 4.4079 4.8874 3.6244 3.486 5.9153 6.4186 5.4865 7.911 diacetylspermidine* 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 5.6691 4.8926 2.1464 2.204 1 0.9247 0.8748 0.9428 0.0982 0.0982 0.0982 0.0982 diacylglycerol (12:0/18:1, 14:0/16:1, 16:0/14:1) [2]* 0.291 0.291 0.291 0.291 0.291 0.291 0.291 0.291 0.291 0.291 0.291 0.291 0.291 0.291 0.291 0.291 0.291 0.291 0.291 0.291 0.291 0.291 0.291 0.291 0.291 0.291 0.291 0.291 0.291 0.291 0.291 0.291 0.291 0.291 0.291 0.291 0.7326 0.841 0.3385 0.291 1.1975 1.2201 1.2869 1.159 0.291 0.291 0.291 0.291 diacylglycerol (14:0/18:1, 16:0/16:1) [2]* 0.1706 0.1706 0.1706 0.1706 0.2559 0.1706 0.1706 0.1706 0.1706 0.2758 0.1706 0.1706 0.1706 0.1842 0.1706 0.1706 0.1706 0.1706 0.1706 0.1706 0.1706 0.1706 0.1706 0.1706 0.1706 0.1706 0.1706 0.6027 0.1706 0.1706 0.3716 0.1706 0.1706 0.1706 0.1706 0.1755 2.464 2.171 2.3166 1.6839 6.5999 7.3782 4.5178 5.2072 1 1.3998 0.9968 0.7796 diacylglycerol (16:1/18:2 [2], 16:0/18:3 [1])* 0.3363 0.3363 0.6759 0.8497 0.3363 0.3363 0.3363 0.6518 0.3373 0.46 0.3363 0.3363 1.3098 1.0696 0.3363 0.3363 0.3363 0.3363 0.3363 0.3363 0.3363 0.3363 0.3363 0.3363 0.3363 0.7082 0.3363 0.3363 1.0537 0.9463 0.6429 0.7991 0.3363 0.3363 0.3363 0.5123 3.2545 3.3785 1.445 1.877 2.3078 2.8757 2.6333 2.7516 0.3363 0.3363 0.3363 0.3363 dihomolinoleate (20:2n6) 0.468 0.987 0.5616 1.5639 1.9793 0.4204 0.5162 0.5052 0.3326 0.6446 0.3515 0.3435 0.9737 1.1439 2.5403 8.4153 1.3617 4.4702 2.4056 3.3972 1.1973 1.3378 1.013 7.7389 1.7339 2.7776 1.7825 3.1954 0.5702 12.5748 2.0212 15.4292 0.8017 2.3329 1.2471 1.1829 0.6504 0.4932 0.4454 0.6938 0.7391 1.2736 0.9651 0.5677 0.7299 0.8171 0.4387 0.9319 dihomolinolenate (20:3n3 or 3n6) 0.5834 1.2301 0.7155 1.3457 1.9624 0.2646 0.4437 0.4111 0.2103 0.481 0.3795 0.3834 0.8556 0.8572 1.6049 6.0061 0.8479 2.9586 2.4622 3.5769 0.9834 1.0393 0.8551 8.6824 1.0064 1.9506 2.4481 1.9826 0.6454 11.7068 2.1727 14.5953 0.5001 1.7707 1.411 1.2863 0.2611 0.1916 0.1656 0.2891 0.9772 1.5903 1.1827 0.6291 0.9936 1.0926 0.5315 1.1213 dihydroxyacetone phosphate (DHAP) 2.8032 1.6704 0.8755 0.6597 9.1865 12.7421 12.8659 6.6282 3.1982 4.4511 10.1822 6.718 33.2918 28.8553 2.8667 0.305 0.9855 0.9251 0.1284 0.4502 1.6606 1.8216 0.5346 5.0667 1.0445 1.1457 0.1586 0.5378 0.6136 0.5744 1.0145 3.6537 2.1628 2.2852 2.3106 2.3698 0.1269 0.0746 0.0763 0.1187 0.1329 0.1306 0.026 0.044 0.2811 0.3482 0.2942 0.9193 dimethylarginine (ADMA + SDMA) 0.9934 1.3608 0.5805 0.6856 1.3535 1.4723 1.0066 0.7137 1.4921 2.1129 0.667 0.571 2.3101 1.7887 3.3546 0.4205 0.721 1.0129 0.4239 0.7142 1.3423 1.3331 1.283 2.7351 1.1005 0.8866 1.2047 0.9622 0.4546 1.1607 1.1666 1.8926 0.9652 0.7649 0.9215 0.6968 0.1225 0.0897 0.2461 0.2181 1.0885 0.8067 0.4245 0.3333 2.15 1.8217 2.1923 1.1477 dimethylglycine 0.5523 0.5523 0.5523 0.5523 0.5523 0.5523 0.5523 0.5523 0.5523 0.5523 0.5523 0.5523 5.6391 6.8894 0.5523 0.5523 0.5523 0.5523 0.5523 0.5523 0.5523 0.5523 0.5523 0.5523 0.5523 0.5523 0.5523 0.5523 0.5523 0.5523 0.5523 0.5523 0.5523 0.5523 0.5523 0.5523 0.5523 0.5523 0.5523 0.5523 1.0801 0.9443 0.5523 0.8981 0.8489 1.3381 1.0557 0.9312 docosadienoate (22:2n6) 0.65 1.2358 0.7305 1.8627 2.1359 0.5649 0.6145 0.5633 0.44 0.8235 0.4635 0.5097 1.2151 1.3694 2.7413 8.1242 1.6611 4.9789 2.2451 3.2068 1.0048 1.1241 0.8655 6.4668 1.5568 2.484 1.7432 3.4754 0.4308 10.395 2.3761 13.169 0.7001 1.9136 0.9394 0.9602 1.2593 0.9676 0.8068 1.2915 0.5903 0.9952 0.7392 0.4598 0.4147 0.4296 0.2166 0.4562 docosahexaenoate (DHA; 22:6n3) 2.516 5.2789 2.9505 7.6811 2.1866 0.2794 0.371 0.3432 0.2182 0.5072 0.4219 0.3885 1.4492 1.6268 1.5072 5.6441 1.2124 3.803 1.9903 3.1637 0.8243 0.9153 0.7556 10.2674 1.7975 3.524 2.4507 2.6165 0.6695 14.125 2.3086 20.971 0.3134 1.3058 0.7835 0.7522 0.7243 0.4568 0.3454 0.6315 0.7147 1.5114 1.0847 0.457 0.5084 0.5484 0.2722 0.5503 docosapentaenoate (DPA; 22:5n3) 1.4753 3.0937 1.4526 5.0938 1.286 0.1977 0.2646 0.2628 0.233 0.4812 0.3474 0.3307 1.3232 1.4486 1.4447 6.196 1.4136 3.8409 3.2011 4.8365 0.9477 0.9933 1.0067 14.2202 1.9319 3.5295 3.0219 2.294 0.9303 22.0612 3.2479 32.9074 0.3 1.0547 0.6991 0.68 0.6738 0.4559 0.3752 0.6458 0.6237 1.1334 0.8658 0.448 0.6215 0.6756 0.3595 0.5537 docosapentaenoate (n6 DPA; 22:5n6) 1.6792 3.8884 1.817 5.642 3.8975 0.5757 0.7649 0.6829 0.5544 1.3741 0.8984 0.9482 1.3294 1.519 0.7385 2.0501 0.6405 2.8889 1.0518 1.3566 0.4411 0.4041 0.234 3.3596 0.5542 1.6536 1.4518 1.8851 0.2656 3.9614 0.8947 6.5222 0.4998 1.8753 1.4196 1.2397 0.8178 0.5956 0.4874 0.9399 1.071 1.7582 1.2583 0.5794 0.6591 0.749 0.338 0.723 docosatrienoate (22:3n3) 0.9694 1.6785 1 2.3551 3.0659 0.7377 0.8463 0.7207 0.5523 0.991 1.3703 1.2879 2.1491 2.2375 0.1753 4.9005 0.8998 4.999 4.2323 5.5033 0.6253 0.7346 0.9676 9.0165 1.2952 2.0299 5.0956 3.9857 0.4397 14.2911 3.1707 20.6854 0.4242 1.9114 1.5545 1.3733 0.3326 0.2039 0.2591 0.3698 0.6926 0.8884 1.0502 0.574 0.3736 0.4396 0.1753 0.4993 docosatrienoate (22:3n6)* 1.0841 2.1222 1.1999 2.6623 2.1369 0.4872 0.559 0.5391 0.6555 1.258 0.3891 0.3887 1.0713 1.2235 3.7193 8.7529 1.9444 6.4002 2.3299 2.8874 0.9763 1.0237 0.7164 5.9391 2.3286 3.6264 1.5241 4.41 0.5253 9.0181 2.082 10.063 0.6347 1.5288 0.727 0.6865 0.48 0.3343 0.2681 0.476 0.3876 0.8134 0.5561 0.3231 0.2088 0.2125 0.1021 0.2505 dodecadienoate (12:2)* 0.9503 1.0859 0.9504 1.4224 1.2699 1.5845 0.4929 1.0847 0.29 1.0496 0.8872 0.817 1.122 1.3907 0.4108 6.2927 0.593 0.6829 0.29 0.29 0.29 0.7955 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 1.4157 1.4405 1.4626 0.29 0.8161 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.8056 eicosanoylsphingosine (d20:1)* 2.0135 2.2722 1.2519 2.6197 0.6849 1.1073 0.7889 0.3147 0.3147 0.3147 0.8945 0.9368 4.4211 3.6817 2.127 0.3864 0.9104 0.9908 0.4116 0.5987 1.2838 1.3963 1.1858 4.671 0.8193 0.8663 0.3147 0.7914 0.4816 0.8316 0.6852 1.2907 2.0389 2.0128 1.5325 1.4881 0.3147 0.3147 0.3147 0.3147 0.7343 1.0092 0.3147 0.4237 0.8648 1.051 0.7177 1.0991 eicosapentaenoate (EPA; 20:5n3) 2.8137 5.2957 3.2359 7.6096 1.4309 0.2185 0.3716 0.3159 0.1745 0.365 0.2981 0.3031 1.0212 1.0048 1.6833 7.1969 0.9819 2.2903 2.2806 3.3009 1.2742 1.2887 1.2308 15.4514 1.9736 3.7159 3.1877 1.7288 0.9952 11.885 2.118 20.0004 0.3246 0.9031 0.8126 0.7547 0.424 0.3107 0.2716 0.4417 0.6121 1.1512 0.8526 0.404 0.619 0.7015 0.3571 0.532 eicosenoate (20:1n9 or 1n11) 0.432 0.885 0.5387 1.4568 1.0646 0.2758 0.2901 0.2969 0.1855 0.364 0.2113 0.2311 0.8013 0.9101 1.8065 9.9444 1.316 3.9558 3.8379 5.568 0.6765 0.7271 0.6148 3.5925 1.2342 1.8649 2.1427 3.4603 0.3131 12.3856 2.2309 12.7735 0.4717 1.3021 0.7343 0.6699 1.1174 0.8473 0.6175 0.9354 1.1575 2.0062 1.2755 0.8114 1.1245 1.1813 0.6222 1.2356 eicosenoylcarnitine (C20:1)* 1 1.2977 0.7407 1.3247 0.2587 0.2587 0.2587 0.2587 0.2587 0.2587 0.2587 0.2587 7.062 7.0812 0.4161 0.6842 0.3035 0.4448 1.4425 1.9205 0.2587 0.2587 0.2587 1.8076 0.2587 0.2587 1.1372 0.5319 0.2587 1.708 1.2121 2.0365 0.2587 0.2587 0.2587 0.2587 1.3163 0.947 0.5996 0.5262 0.3794 0.3721 0.2587 0.2587 0.2587 0.2587 0.2587 0.2587 ergothioneine 0.8835 0.7292 0.3907 0.3907 1.5784 2.1048 2.4096 1.4739 1.4613 2.3138 5.0484 3.5401 88.2302 86.2483 3.0203 0.3907 0.3907 0.3907 0.3907 0.3907 0.9607 0.5887 0.5402 0.5311 0.5033 0.3907 0.3907 0.7398 0.3907 0.3907 0.4234 1.3359 0.5877 0.5307 1.0393 0.7558 0.9327 0.6969 0.3996 0.5602 0.3907 0.3907 0.3907 0.3907 2.2495 3.5368 2.4836 3.3771 erucate (22:1n9) 0.6644 1.413 0.7269 1.6456 1.2778 0.3715 0.3861 0.3852 0.2667 0.5034 0.2717 0.2761 1.024 1.2121 1.4976 6.1666 1.1367 3.1702 2.0274 3.0367 0.5174 0.5728 0.5021 3.7266 1.0242 1.5179 1.3145 2.154 0.2557 7.6921 1.5123 9.4911 0.4917 1.3771 0.6547 0.8324 1.2198 0.9079 0.7207 1.3012 0.9634 1.8647 1.4181 0.6689 0.9443 0.976 0.5342 0.8309 erythritol 0.6481 0.6152 0.3744 0.3744 0.3744 0.3744 0.3744 0.3744 0.3744 0.3744 0.3744 0.8473 14.7754 14.3151 2.0522 0.3744 0.4932 0.3744 0.3744 0.3744 2.7412 2.3787 0.5424 1.0115 0.8953 0.9346 0.6527 0.9885 0.3744 0.6346 0.3744 0.8401 2.6547 2.4078 2.558 2.571 1.3879 1.2196 0.8046 0.8525 0.3744 0.5674 0.5382 0.3744 3.2594 3.4969 3.8165 4.1361 erythronate* 1.058 0.8149 0.626 1.0053 0.9947 1.7592 1.6343 1.2788 0.3593 0.5599 1.6883 1.2653 32.9122 30.1879 1.1556 0.2239 0.7407 0.6204 0.2855 0.4476 0.451 0.5854 0.3415 0.8319 0.9134 0.9435 0.3144 0.4718 0.2897 0.7733 0.6647 1.2797 1.119 1.0941 1.6308 1.5186 1.221 0.9406 0.8298 0.8819 1.6426 1.7752 1.139 1.1885 3.4442 3.5909 3.5499 6.0884 ethylmalonate 0.5405 0.4597 0.4158 0.5199 1.1608 2.0335 2.9887 1.3302 0.2002 0.2002 0.9945 0.9259 3.0578 2.6995 1.8979 0.2002 0.3982 0.2002 0.2002 0.2002 0.452 0.6545 0.2002 0.2002 0.2002 0.2002 0.2002 0.2002 0.2002 0.2002 0.2002 0.2002 0.4921 0.386 0.2002 0.4366 1.0236 0.8014 1.0055 0.8437 1.4088 1.1732 0.9454 1.0057 2.9923 3.1173 3.6222 7.179 FAD 0.8333 0.9973 0.7871 1.2111 0.8557 0.7823 0.8258 0.8003 0.4072 0.6718 0.8253 0.9461 1.3105 1.3489 1.3846 0.7002 0.8149 1.2072 0.6726 1.0315 1.1383 1.4866 0.8616 1.6298 0.8254 1.0027 0.651 1.2357 0.424 0.9271 0.5674 1.1234 0.888 1.0281 0.7943 0.7651 1.0578 1.0969 0.944 1.1271 1.6096 1.6903 1.0168 1.2532 1.6289 1.9292 1.5184 1.7835 folate 0.5749 0.5749 0.5749 0.5749 0.5749 0.5749 0.5749 0.5749 0.5749 0.5749 0.5749 0.5749 0.5749 0.5749 0.5749 0.5749 0.5749 0.5749 0.5749 0.5749 0.5749 0.5749 0.5749 0.5749 0.5749 0.5749 0.5749 0.5749 0.5749 0.5749 0.5749 0.5749 0.5749 0.5749 0.5749 0.5749 0.6874 0.5749 0.6314 0.7126 1.8528 1.8491 1.2874 1.502 0.5749 0.5749 0.5749 0.5749 fructose 0.4693 0.4492 0.3155 0.3275 0.7741 0.4838 0.6973 0.6445 0.4251 0.7028 0.5426 0.8282 0.5076 0.214 2.4257 0.43 0.8715 0.9869 0.7611 0.9731 1.2832 1.3309 1.1603 1.3638 0.8226 0.8251 1.1448 2.1405 0.5135 1.3309 1.0131 1.527 1.3141 1.228 1.1171 0.8671 1.1153 0.973 1.8021 2.2043 4.7353 4.2808 1.9062 2.9726 2.6275 2.6761 2.6788 3.1163 Isobar: hexose diphosphates 2.5559 2.3904 1.65 1.5864 10.3701 12.1803 15.3021 9.1861 2.158 3.4076 12.2925 10.7414 25.7515 21.8886 1.3948 0.313 0.5397 0.4172 0.0742 0.0839 0.7934 0.9274 1.2391 2.8996 0.9783 1.0217 0.0522 0.4398 0.8744 0.3738 0.4697 1.6092 0.8034 1.0865 0.9743 0.9438 0.3308 0.3353 0.3927 0.4685 0.2607 0.2173 0.4415 0.6074 2.7827 2.8401 2.6848 1.851 fructosyllysine 1 0.9109 0.5234 1.0502 0.5048 0.404 0.404 0.404 0.608 0.7413 0.665 0.8994 2.3579 1.9918 2.5168 1.313 0.7642 1.4553 0.8251 1.5732 0.9102 0.8835 1.4483 3.2754 0.6125 1.0447 1.2181 1.6071 0.404 1.5987 1.1323 1.7339 1.0913 0.7644 0.6766 0.5516 0.404 0.404 0.404 0.404 0.672 1.079 0.404 0.404 0.404 0.404 0.404 0.404 fumarate 2.0345 1.4655 1.0046 1.4163 4.0465 4.9928 5.4367 4.0629 1.1177 1.2591 5.1119 4.0022 15.8397 12.6594 2.2731 0.1875 0.8964 0.9548 0.4892 0.5706 0.7065 0.9661 0.6186 1.3363 1.0253 0.9519 0.3937 0.8625 0.5093 1.1099 0.7822 1.2226 0.8974 0.8481 1.0609 0.9215 0.8566 0.5933 0.6966 0.7138 1.0943 0.7752 0.4689 0.6106 1.1018 0.9954 1.1421 1.7416 gamma-glutamyl-epsilon-lysine 0.5655 0.6386 0.5639 0.6823 0.6055 0.5666 0.5341 0.5103 0.9672 1.3423 1.0328 1.3216 3.6227 3.6698 3.5898 1.4107 2.1222 2.7004 0.2198 0.3244 1.5785 1.8597 1.66 1.91 1.5932 1.6419 0.1939 1.2362 1.0827 1.572 1.049 1.1442 2.9218 3.063 2.2165 2.1927 0.197 0.1631 0.1949 0.1875 0.3873 0.421 0.1488 0.1529 0.1655 0.1594 0.1517 0.159 gamma-glutamylcysteine 0.3466 0.1978 0.392 0.5358 0.9171 1.6553 1.362 0.8007 0.8324 1.0829 1.5462 0.7285 7.6412 9.5139 0.1978 0.1978 0.1978 0.1978 0.1978 0.1978 0.1978 0.1978 0.1978 0.1978 0.1978 0.1978 0.1978 0.1978 0.1978 0.1978 0.1978 0.2146 0.1978 0.1978 0.1978 0.1978 0.1978 0.1978 0.1978 0.2084 1.518 2.7758 2.1296 1.735 0.1978 0.1978 0.1978 0.1978 gamma-glutamylglutamate 0.1375 0.3231 0.3721 0.3813 1.9673 3.0013 2.9776 1.9909 1.2715 1.6965 2.4899 1.7012 7.3135 8.128 0.6457 0.1375 0.5701 0.8915 0.1375 0.1375 0.4285 0.4062 0.4925 1.2825 0.3139 0.3725 0.1375 0.4712 0.1375 0.308 0.1375 0.5544 0.9442 1.0838 1.0655 1.148 0.9207 0.7656 1 1.3012 2.8178 3.7109 2.7829 2.8027 0.1375 0.1375 0.1375 0.2805 gamma-glutamylglutamine 0.0521 0.0521 0.0521 0.0521 0.2884 0.483 0.2928 0.2501 1.7223 2.859 1.357 0.95 5.237 5.2372 2.4984 0.3612 1.1646 1.9359 0.3823 0.8709 0.1416 0.2192 0.7949 8.6254 1.5872 1.6563 0.6365 2.1515 0.3989 1.0879 0.7484 1.3042 1.05 1.1079 1.5016 1.4886 0.0521 0.0786 0.097 0.2003 3.8272 4.4251 2.7963 2.532 0.1383 0.0903 0.0901 0.1817 gamma-glutamylisoleucine* 1.2797 0.9795 0.5239 0.9444 0.531 0.7507 0.752 0.5916 0.5239 0.5239 0.8562 0.8011 12.1098 13.6719 1.4253 0.5239 1 2.1087 0.5239 0.5671 0.7763 1.2137 0.5239 0.781 2.4328 3.038 0.5239 1.231 0.5239 0.626 0.782 1.573 1.8377 1.6787 1.6389 1.9435 0.5239 0.5239 0.5239 0.5239 0.5239 0.5239 0.5239 0.6011 0.5239 0.5239 0.5239 3.5093 gamma-glutamylleucine 1.0707 0.8166 0.9041 1.3961 0.6559 1.0124 0.7459 0.5869 0.7376 0.9353 0.4389 0.675 8.0982 8.4922 1.6935 0.7297 1.7507 2.2458 1.3057 0.8741 0.9156 1.0916 1.0141 1.2582 2.1617 2.8764 0.454 1.2974 0.8026 0.9876 0.4969 0.8932 2.6259 2.2702 2.7677 2.0627 0.3365 0.3365 0.3365 0.3365 0.3365 0.3365 0.6112 0.4136 0.3365 0.3365 0.3365 1.6661 gamma-glutamylmethionine 0.3569 0.3569 0.3569 0.3569 0.3569 0.3569 0.3569 0.3569 0.6251 1.2367 0.3569 0.3569 1.3381 1.1831 1.332 0.3569 0.3569 0.4474 0.3569 0.3569 0.3941 0.3829 1 2.7506 0.3569 0.3569 0.3569 0.3569 0.3569 0.3569 0.3569 0.4929 0.7284 0.4395 0.9524 0.3569 0.3569 0.3569 0.3569 0.3569 1.5092 2.132 1.8688 1.2499 0.3569 0.3569 0.3569 0.3569 gamma-glutamylserine 0.3057 0.2522 0.8015 0.5873 1.5365 0.7006 1.2525 1.2625 0.9296 1.3651 1.1317 0.9809 3.2388 2.2804 2.184 0.3504 1.3838 1.0267 0.2522 0.2522 2.2945 2.3784 1.9708 3.4199 2.0203 1.8043 0.5318 0.8116 0.6992 0.6321 0.6084 1.0526 1.8252 1.5904 1.4285 1.9148 0.2522 0.2522 0.2522 0.2635 0.6343 1 0.8536 0.5137 0.4685 0.6417 0.5807 0.615 gamma-glutamylthreonine 0.7851 0.8726 1 2.1296 0.626 0.8383 0.6036 0.5556 0.4945 0.734 0.6762 0.5436 9.6953 16.9936 1.5458 1.2939 2.5988 6.3096 0.908 1.644 3.469 3.8241 0.8462 1.4984 7.6079 7.415 0.9626 4.6031 1.7843 1.4421 0.9128 1.2208 4.9846 5.8247 4.3567 4.3589 0.3012 0.33 0.5041 0.5101 0.3012 0.7273 0.4464 0.5302 0.9567 1.1198 0.5883 5.2109 gamma-glutamylvaline 0.815 0.6998 0.5431 0.5653 0.1915 0.1915 0.1915 0.1915 0.1915 0.1915 0.54 0.1915 11.1713 10.8762 0.9204 0.4869 1.9716 3.2025 0.1915 1.4177 1.4915 1.6133 0.1915 1 3.8822 4.2999 0.1915 1.8704 0.713 0.4837 0.7192 1.2345 1.8349 2.7375 2.3876 2.1499 0.1915 0.1915 0.1915 0.3287 0.2174 0.3168 0.1915 0.1915 0.1915 0.5484 0.5259 2.4769 gluconate 1.6125 0.9769 1.0231 1.2372 1.9934 0.6942 2.4751 1.0705 0.7938 1.3056 3.359 2.0652 1.8194 1.414 2.2654 0.111 2.0045 0.9164 0.9524 0.6833 0.5139 0.4332 1.8529 1.1199 0.5288 0.2645 0.2123 1.2253 0.4608 0.802 0.5564 0.5633 0.4554 0.1908 0.5408 0.3674 11.1901 5.998 25.8687 14.6662 101.4615 32.7864 22.2258 41.0637 0.7677 0.6606 0.7282 0.6241 glucosamine-6-phosphate 0.515 0.5381 0.4039 0.4039 2.2954 0.2773 2.6381 2.2536 0.0941 0.1065 1.0958 1.6787 10.2507 6.9405 5.235 0.2485 0.9943 1.0068 0.1508 0.5773 1.1422 1.544 0.7324 1.9028 0.9483 1.3472 0.2888 0.7507 0.4074 0.7273 0.8454 2.1298 1.0057 1.0577 0.8327 0.8194 0.6086 0.6893 0.8538 1.5183 3.4731 1.0732 0.9614 1.6096 3.8375 4.3535 3.2742 7.4362 glucose 0.4904 0.3533 0.3064 0.4212 1.0982 1.092 1.3918 0.6026 0.2772 0.525 0.4899 0.2886 1.9712 1.0847 1.5151 0.6342 0.7205 1.009 2.1377 2.8887 0.5593 0.7045 0.8815 2.2376 0.9005 0.8605 2.6836 1.893 0.3427 2.9796 1.4003 2.575 0.5553 0.5021 0.3902 0.3115 0.8706 0.7547 1.2846 2.1143 6.0587 5.1121 1.7615 3.4185 1.0627 0.991 1.0652 1.064 glucose 6-phosphate 0.9132 0.49 0.5016 0.3969 3.3271 0.542 3.6619 3.3764 0.2217 0.1633 1.7176 1.4163 9.6074 5.4305 4.4733 0.1569 2.1035 0.7515 0.369 0.6027 1.8221 0.6103 0.9097 1.0004 0.8422 0.9433 0.2423 0.7469 0.3753 0.9574 0.9857 1.3471 1.7218 1.0576 1.5784 0.7637 0.9996 0.8653 1.4035 1.1173 7.5041 0.477 1.4906 2.0292 3.7939 2.8992 3.8965 5.9615 glucuronate 0.8485 0.8235 0.6114 1.1177 1.7166 1.8591 2.1356 1.7564 1.4138 1.5553 2.3063 2.1939 4.0123 3.3444 2.3468 0.5908 1.0392 0.7424 1.0191 0.7556 0.7365 0.7405 1.4685 1.9809 1.1458 0.9902 0.3518 0.6955 0.5492 1.6787 1.5324 1.385 0.8044 0.7113 0.7248 0.5796 1.0434 0.7261 0.9933 1.0067 2.4405 5.2564 0.867 0.6902 0.3194 0.3203 0.3736 0.6046 glutamate 1.031 0.8582 0.7066 1.011 1.32 1.8431 1.9943 1.4868 0.7516 0.9541 2.3451 1.6731 13.0889 12.4966 1.4408 0.3724 0.8861 1.3125 0.4848 0.7654 0.8211 0.8972 0.989 1.6158 0.8682 0.8739 0.7353 1.1385 0.5391 0.8714 0.7596 1.2822 1.3988 1.3387 1.7306 1.7025 0.5309 0.4266 0.6665 0.7003 1.1504 1.1551 0.8031 0.7757 0.9879 1.0217 1.0222 1.4697 glutamate, gamma-methyl ester 0.6474 0.5725 0.4739 0.5279 1.3077 1.3158 1.6101 1.6817 1 1.5307 1.8004 1.9599 12.663 15.4624 2.8567 0.4911 0.7246 1.3766 0.8695 1.9734 0.6483 0.8367 0.545 2.6455 1.043 1.276 0.4443 1.4298 0.3949 1.1663 0.7975 1.761 1.1681 1.4848 1.5638 1.8954 0.1575 0.2172 0.1575 0.289 0.8229 0.7848 0.4774 0.5832 0.6345 0.8191 0.5151 1.0854 glutamine 0.6164 0.6282 0.4704 0.4388 1.7718 1.7028 1.8507 1.5444 0.8396 1.1039 1.8191 1.6566 13.0412 12.324 2.8894 0.276 0.7054 1.3014 0.8193 1.3501 0.6642 0.8114 0.5521 2.7421 1.1169 1.1208 0.2078 1.1028 0.4194 0.4743 0.5556 1.5563 1.0369 0.9631 1.545 1.3778 0.1823 0.1606 0.311 0.3391 0.8694 0.5079 0.2111 0.3522 1.2502 1.2011 1.2355 1.0519 glutarate (C5-DC) 1.7555 1.7014 1.2901 2.4508 1.3576 1.4251 1.6062 1.8355 0.9361 1.1271 1.6979 2.2342 7.5949 7.8247 1.4322 0.373 0.5824 0.6275 0.6522 0.6718 0.7277 0.8288 0.3503 1.7687 0.7027 0.3503 0.4204 0.7084 0.3503 0.4935 0.3503 0.8768 1 1.0101 0.9419 0.9493 0.728 0.6805 1.0455 0.5039 1.131 0.8837 0.5375 0.4583 1.7054 1.8342 2.0258 2.4861 glutathione, oxidized (GSSG) 2.0229 2.05 1.9588 2.0717 1.7571 1.8545 2.196 2.4457 0.7908 0.7192 3.0566 3.4843 9.568 9.1758 1.0482 0.0423 0.4098 0.0423 0.0423 0.0556 0.0423 0.0423 0.0423 0.0423 0.809 0.9196 0.0423 0.1723 0.6021 0.3499 0.259 0.6333 0.2662 0.2452 0.983 1 0.0423 0.0423 0.0423 0.0423 1.013 1.4115 0.8128 1.3548 0.0423 0.0423 0.0423 0.0423 glutathione, reduced (GSH) 4.1455 3.5752 4.4865 3.2668 4.7835 9.4175 10.1285 5.7551 1.939 1.5321 12.9229 7.614 146.3709 146.4769 0.7687 0.0128 0.1648 0.0128 0.0258 0.0132 0.0128 0.0128 0.0128 0.0423 0.4678 0.644 0.0128 0.0302 0.6552 0.1866 0.1762 0.9544 0.1388 0.178 1 1.0511 0.0128 0.0128 0.0128 0.0128 2.1381 3.1805 1.7778 2.7767 0.0533 0.0685 0.0519 0.0608 glycerate 6.4571 3.9162 3.473 6.3102 7.5934 7.4001 9.1379 6.3091 1.8023 2.7024 6.8496 7.0454 0.3383 0.3013 1.0149 0.1349 0.2276 0.3398 0.3046 0.9851 0.8646 0.9702 0.2801 3.9775 0.2996 0.3507 0.0919 0.2674 0.175 0.2223 0.2584 0.6309 0.8873 0.9119 1.0571 0.9765 16.898 12.5737 20.1014 27.0497 108.2353 125.1722 29.7314 35.9122 0.8155 0.6968 0.7775 1.8332 glycerol 1.0773 0.8852 0.7875 1.032 0.9962 0.808 1.1907 0.9624 0.3821 0.6357 0.677 0.6078 2.3632 1.9236 2.2274 0.8139 1.2693 1.3956 1.0114 1.2025 0.8371 1.0597 0.8904 1.7222 0.9432 0.9226 0.4282 1.1156 0.3789 1.3995 1.0038 1.6054 0.6923 0.7704 0.8993 0.5844 0.781 0.8751 0.8025 0.853 2.0462 1.5904 1.1576 1.0846 1.2562 1.7404 1.7434 1.1059 glycerol 3-phosphate 4.2004 2.1353 4.2617 2.6009 3.0221 6.7892 4.9397 3.4382 1 0.8562 3.7953 2.2803 5.6224 5.5337 0.5877 0.2592 0.2385 0.3554 0.0989 0.0989 0.626 0.5444 0.3812 0.5392 0.238 0.2725 0.278 0.3911 0.3382 0.3911 0.4679 1.1805 1.3616 1.4323 1.5851 1.7816 0.5611 0.4337 0.4378 0.4324 1.0944 1.1787 0.9821 0.8207 1.435 1.2023 1.4312 2.9415 glycerophosphoethanolamine 0.7401 0.8891 0.4593 0.7891 0.6093 0.8071 0.6279 0.5529 0.5378 0.6798 0.8404 0.7057 4.6878 4.8225 2.4748 0.8114 1.2942 1.3291 0.6714 0.843 1.2402 1.4395 1.2194 1.968 1.8395 1.6477 1.3746 1.6075 0.7564 0.997 0.8456 1.003 1.6992 1.5238 1.8255 1.5259 1.1409 0.9066 0.739 0.7025 1.0491 0.9801 0.6139 0.6633 8.8405 9.0235 8.9414 8.3875 glycerophosphoglycerol 2.7063 2.2261 2.6421 2.6664 1.1652 1.3054 1.4726 1.1895 0.3759 0.4644 1.1464 0.9822 6.5029 5.4671 2.3223 0.6862 0.9739 0.6426 0.7132 0.6561 0.9072 0.9249 1.1019 1.0178 1.6046 1.3902 0.7222 1.1525 0.6692 0.8339 0.696 0.8949 0.9355 0.9086 1.08 0.8354 0.7806 0.5997 0.5682 0.3971 1.3778 1.2332 0.9212 0.9083 5.0672 4.8641 5.1022 5.8968 glycerophosphoinositol* 2.1852 1.9571 1.1656 1.5128 0.8413 0.8657 1.0153 0.7082 0.5882 0.7585 0.9847 0.6308 1.922 1.7812 1.5106 0.4077 0.7338 0.7259 0.5375 0.5737 1.4266 1.4272 1.5203 1.5173 1.095 0.8911 1.1801 0.9817 0.5851 0.6764 0.5971 0.5943 1.0377 0.9243 0.961 0.6948 1.1119 0.8852 1.2966 0.8914 1.6609 1.3461 1.1961 0.8563 3.0662 2.4978 3.1525 2.7287 glycerophosphorylcholine (GPC) 0.5852 0.7548 0.3658 0.6538 0.4987 0.5315 0.5573 0.5051 0.5435 0.7228 0.7684 0.6917 1.1593 1.2983 1.5204 1.0996 1.1493 1.3117 0.7632 0.9363 1.045 1.1162 1.1461 1.5568 1.4518 1.3981 1.4748 1.4218 0.8197 0.955 0.7814 0.852 1.2865 1.2122 1.3507 1.2051 0.7402 0.6975 0.5973 0.5833 1.0773 1.1297 0.8667 0.8959 1.9567 2.0387 1.9579 1.7921 glycerophosphoserine* 1.1068 1.1866 0.6399 1.309 1.1543 1.3706 1.2413 1.0487 0.7436 1.1383 1.5062 1.0547 1.9499 1.756 1.7041 0.5403 0.5615 0.7697 0.408 0.5335 1.0572 1.2158 1.5041 2.7516 0.7961 1.0682 1.1534 1.2968 0.6449 0.9513 0.6711 0.894 0.9063 0.8766 0.8205 0.6628 0.63 0.6289 0.6648 0.6557 0.7794 0.561 0.4604 0.4566 2.6151 2.6199 2.3151 2.5715 glycine 0.762 0.8198 0.5641 0.6838 1.0936 1.0431 1.096 0.9119 0.8183 1.1275 1.0654 0.9426 5.4542 5.1652 2.6945 0.5442 0.7984 1.2658 0.4672 0.7927 1.0604 1.1354 0.9073 1.7933 0.9825 0.8872 0.8463 1.0055 0.416 1.1395 1.0476 1.6402 1.144 0.9945 1.0592 0.8966 0.68 0.5746 0.7452 0.7897 1.4121 1.3426 0.9367 0.8962 2.0001 1.9907 2.0085 1.9837 glycochenodeoxycholate 0.6935 0.9943 0.9636 1.1658 0.6269 0.4795 0.37 0.4449 0.2595 0.7982 0.4223 0.5292 0.2595 0.2595 2.5883 1.3713 1.575 2.4604 1.8016 2.6648 2.3367 2.809 0.4385 1.9687 0.3707 0.5321 2.9207 0.5294 0.2595 2.179 1 2.2547 3.6171 3.9467 2.2882 2.1933 0.735 0.6918 0.8518 0.5972 1.6866 2.1661 1.5448 1.3795 0.9267 0.9934 0.6397 1.3306 glycosyl ceramide (d16:1/24:1, d18:1/22:1)* 4.3042 8.2286 5.7547 11.4098 0.6471 0.7259 0.6663 0.5817 0.3227 0.5261 0.1894 0.2608 1.0529 0.9745 1.1973 0.8821 0.926 0.5156 1.0889 1.2631 0.6533 0.8925 1 2.372 0.7052 1.1457 0.3252 0.6263 0.4178 1.9407 0.2524 1.4601 0.2353 0.3031 0.1945 0.1845 1.4059 1.0035 1.1274 0.1845 1.7063 1.657 1.0886 1.112 2.9981 3.0085 3.0154 2.1648 glycosyl ceramide (d18:1/20:0, d16:1/22:0)* 8.504 8.9058 6.6081 12.3469 0.6269 0.6183 0.5957 0.6012 0.2498 0.3767 0.2362 0.2985 1.1876 1.0838 1.3235 0.5679 0.9162 0.7868 1.258 1.386 1.2163 1.3482 0.7447 1.4533 0.8299 0.827 0.7449 0.7936 0.4285 0.8924 0.5358 0.9092 0.8285 0.7665 0.7541 0.7021 3.8991 3.4305 3.6817 3.5996 4.5682 4.9764 4.1845 3.8905 5.4644 6 5.3106 5.3335 glycosyl ceramide (d18:1/23:1, d17:1/24:1)* 3.3369 3.6386 2.6291 4.0868 0.9758 0.9519 0.8819 0.8484 0.4732 0.7367 0.3142 0.4136 1.4665 1.3407 1.2664 0.6372 1.0021 0.6513 0.7486 0.7961 1.0844 1.4568 1.3385 3.5204 0.8245 0.8066 0.494 0.5944 0.5816 1.6499 0.9979 1.9015 0.3883 0.4883 0.3402 0.3098 1.4544 0.8517 1.2351 0.8632 1.4098 1.5459 1.2197 1.0295 1.9097 1.9671 1.7997 1.495 glycosyl ceramide (d18:2/24:1, d18:1/24:2)* 2.1834 2.5571 1.8021 2.9611 0.9021 0.9489 0.8656 0.7654 0.4718 0.7356 0.389 0.4647 1.1036 1.0117 1.243 0.5798 0.8259 0.4668 0.6633 0.7506 1.1758 1.4088 1.3691 3.5602 0.6655 0.6121 0.4196 0.3316 0.5502 1.5339 0.9595 1.7001 0.2981 0.3284 0.2811 0.2221 2.1439 1.7718 1.729 1.5638 1.4612 1.5983 1.2693 1.2239 1.3265 1.4025 1.3463 0.9883 glycosyl-N-(2-hydroxynervonoyl)-sphingosine (d18:1/24:1(2OH))* 0.1133 0.1133 0.1133 0.1133 0.1133 0.1133 0.1133 0.1133 0.1133 0.1133 0.1133 0.1133 0.1133 0.1133 0.1133 0.1133 0.1133 0.1133 0.1133 0.1133 0.1133 0.1133 0.1133 0.1133 0.1133 0.1133 0.1133 0.1133 0.1133 0.1133 0.1133 0.1133 0.1133 0.1133 0.1133 0.1133 0.1133 0.5948 1 1.0307 1.1131 1.089 0.1243 0.1133 0.1133 0.1133 0.1133 0.1133 glycosyl-N-behenoyl-sphingadienine (d18:2/22:0)* 3.6963 0.2028 0.2028 0.2028 1.0798 1.003 0.9803 0.9013 0.3049 0.4923 0.2913 0.4501 1.0578 0.9781 0.997 0.2028 0.5396 0.2028 0.2028 0.2028 1.6538 1.7669 0.877 2.5018 0.3954 0.2028 0.4796 0.2028 0.3674 0.2028 0.2028 0.9576 0.5032 0.4298 0.5146 0.4262 3.4265 3.2729 3.5217 4.8643 2.6176 3.1659 2.4603 2.5086 1.6846 1.992 1.6286 2.1551 glycosyl-N-palmitoyl-sphingosine (d18:1/16:0) 2.4466 2.3329 2.4285 2.9436 1.3541 1.3797 1.2643 1.1806 0.7635 0.9536 0.6009 0.6883 0.8768 0.8273 0.7008 0.4011 0.667 0.4191 0.5111 0.5647 1.0696 1.086 0.8192 1.2971 0.5307 0.5256 0.2613 0.3471 0.5296 0.9428 0.6953 1.0464 0.3674 0.3809 0.3973 0.351 1.6481 1.6299 1.8911 2.0489 2.3107 2.4492 2.2048 2.2323 4.3778 4.426 4.1993 3.7501 glycosyl-N-stearoyl-sphinganine (d18:0/18:0)* 11.4386 12.8884 7.3736 17.2054 0.3006 0.3006 0.4115 0.3006 0.3006 0.449 0.3006 0.8731 0.3006 0.3006 0.3006 0.3006 0.3006 0.3006 0.3006 0.3006 0.3006 0.3006 0.3006 1.1269 0.3006 0.3006 0.3006 0.3006 0.3006 0.3006 0.3006 0.3006 0.3006 0.3006 0.3006 0.3006 0.3006 0.3006 1.9965 1.216 0.3006 0.7454 0.3006 0.3006 0.4372 0.3006 0.3006 0.3977 glycosyl-N-stearoyl-sphingosine (d18:1/18:0) 7.0801 8.4846 6.6329 11.1365 1.1777 1.1293 1.0522 1.008 0.6078 0.992 0.5563 0.6973 0.8088 0.7665 0.4757 0.2662 0.5102 0.4034 0.7637 0.8921 0.9771 1.1046 0.7828 1.6259 0.4855 0.5241 0.4833 0.4788 0.3361 1.2062 0.8271 1.5236 0.4024 0.4103 0.3844 0.3753 4.717 4.1267 5.2155 5.1129 6.4931 7.0739 6.1536 5.7813 3.933 3.9746 3.6911 3.4001 glycylisoleucine 0.1017 0.4115 0.1335 0.209 0.1017 0.1017 0.1017 0.1017 0.5911 1 0.1017 0.2664 0.1376 0.1876 2.7644 0.6769 1.5606 2.0939 1.6374 1.5458 2.0735 2.3746 1.8043 0.955 2.2649 1.8523 1.5855 1.477 0.7055 1.0552 0.6765 0.6197 2.7651 2.2139 2.4177 1.9532 0.1017 0.1017 0.1076 0.1017 0.1017 0.1017 0.1968 0.3025 0.1017 0.1576 0.1017 0.1017 glycylleucine 0.2468 0.7127 0.4234 0.6856 0.2177 0.1769 0.1273 0.2087 0.7385 1.3826 0.1784 0.4841 0.6566 1.2266 7.4722 5.1009 7.6709 10.5436 3.8616 3.604 6.8067 7.4192 5.9046 1.8712 9.878 9.5903 6.3179 7.0703 3.5653 5.764 4.0543 2.5803 9.7136 8.9406 8.5176 6.9616 0.0971 0.0995 0.2952 0.2541 0.2836 0.3946 0.5757 0.4743 0.5719 0.7734 0.5457 0.5341 glycylvaline 0.4844 1.1077 0.5651 0.8089 0.4955 0.5264 0.3364 0.4813 1.9002 2.7441 0.5332 1.1343 0.7299 0.986 3.8691 0.8084 1.5477 2.1581 1.2893 1.3051 2.6532 2.9091 1.7844 1.9813 2.2691 1.9943 1.8786 1.1615 0.7956 1.1809 1.014 1.4613 2.3199 2.1842 2.3872 1.9159 0.0868 0.0545 0.1451 0.1306 0.1649 0.188 0.183 0.2118 0.37 0.3715 0.296 0.3107 guanidinoacetate 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.8594 0.4065 0.4065 0.4065 0.4065 1.0996 0.4065 0.6457 0.4065 0.4065 0.4065 0.4259 0.4065 0.4065 0.4065 0.7754 0.4065 0.4065 0.4065 0.6331 0.4065 1 0.6408 0.7316 2.2833 1.6276 1.6931 2.2827 0.4065 0.4065 0.6341 0.4065 5.7987 5.9804 4.7244 5.1531 guanine 2.6332 2.7359 2.0707 2.9202 2.4201 3.8728 3.1098 2.004 1.5593 1.9256 2.4571 2.2045 3.9723 2.5694 1.8315 0.2353 0.7028 0.9909 0.3601 0.7832 1.0489 1.3007 0.7884 1.8078 0.985 1.0091 0.2952 0.7795 0.6032 0.6823 0.5982 1.3981 1.3554 1.4074 1.4057 1.565 0.0028 0.0028 0.004 0.0036 0.0055 0.0054 0.0035 0.005 0.0719 0.0714 0.0615 0.0781 guanosine 2.5246 2.7703 1.4549 2.384 3.3086 4.6677 5.5437 3.7842 0.9244 1.2342 5.2718 4.0347 14.3528 10.5903 1.0059 0.4619 1.0803 0.9575 1.927 2.1612 0.8414 0.9467 1.2358 1.7923 0.837 1.1246 0.5127 1.2667 0.4861 0.9941 0.6779 1.3032 0.6153 0.7429 0.7497 0.8472 0.0858 0.0554 0.2215 0.1759 0.3827 0.3135 0.1075 0.1296 0.942 1.1353 0.7451 1.1794 guanosine 3'-monophosphate (3'-GMP) 0.284 0.2107 0.321 0.2107 0.7688 0.2107 0.3418 0.6043 0.8487 0.6306 1.3619 2.0936 0.2107 0.2107 0.2107 1.6786 0.2107 0.2107 4.2793 4.4627 0.5435 0.3955 0.48 1.046 0.2898 0.3047 0.2107 0.2107 0.3621 0.2107 0.2573 0.2107 1.1495 1.188 1.0888 1.1742 4.3046 2.0557 0.621 1.0766 7.3733 0.4469 0.2616 2.2011 1.7147 1.6564 1.3638 1 guanosine 5'- diphosphate (GDP) 1.0828 1.1965 1.1246 0.7262 1.4889 0.976 1.1793 1.5776 0.9081 0.4578 1.2661 1.1639 0.2513 1.2725 0.2513 0.2513 0.2513 0.2513 0.2513 0.2513 0.2513 0.2513 0.2513 0.2513 0.2513 0.2513 0.2513 0.2513 0.3075 0.2513 0.2513 0.2513 0.2513 1.024 0.5738 0.6986 0.7766 0.2513 0.2513 0.2513 0.2513 0.2513 0.2513 0.2513 0.3395 0.2513 0.2513 0.2513 5'- GMP 0.4695 0.3298 0.5122 0.3736 1.4991 0.742 2.2383 6.4658 0.7206 0.6018 1.6962 3.21 14.3291 42.1656 0.3104 1.1818 0.1668 0.1714 2.6352 3.3542 0.7012 0.5869 0.4786 1.0359 0.4558 0.4451 0.121 0.2416 0.4197 0.1288 0.2739 0.2847 0.9641 1.1751 0.8366 1.1237 8.5494 6.0668 3.7925 5.8607 5.4394 0.7451 4.6702 7.7922 5.0499 6.5291 4.433 10.006 guanosine 5'-diphospho-fucose 0.7826 0.9231 1 0.8173 1.0368 1.1406 0.9735 0.9822 0.6177 0.6179 1.4228 1.627 2.5156 2.4159 0.1976 0.1976 0.1976 0.1976 0.1976 0.1976 0.1976 0.1976 0.1976 1.1297 0.6586 1.0711 0.1976 0.1976 0.802 0.1976 0.1977 1.3677 0.1976 0.1976 0.1976 0.1976 0.4393 0.1976 0.1976 0.537 1.2168 1.306 0.439 0.7778 1.1337 1.2596 1.2603 1.6281 gulonate* 0.7548 0.5708 0.4973 0.693 2.7765 5.1543 5.244 3.2349 2.2242 2.6043 8.4524 5.3307 14.7909 13.7129 0.6199 0.0864 0.5454 0.1273 0.0135 0.0135 1.1157 0.9461 0.2571 0.3666 0.3239 0.2737 0.0135 0.1501 0.0773 0.4058 0.4389 0.8513 1.0893 0.85 0.8573 0.621 2.1536 1.4168 1.0539 0.9407 5.5448 4.549 3.121 3.4235 3.3436 3.5615 3.7996 8.2698 heme 0.3264 0.3264 0.5549 0.3264 1.0046 0.8785 1.2355 0.4866 1.0015 0.3264 0.3264 0.3264 0.3264 0.3264 1.0253 0.3264 0.3264 0.3264 0.3264 0.3264 1.6862 0.4109 1.0085 0.3264 0.3264 0.3264 0.3264 0.3264 0.3264 0.3264 0.3264 0.4399 0.3264 0.3264 0.7698 0.3264 2.0413 0.6823 1.6137 0.5723 1.8339 1.0131 2.1771 0.9985 1.1287 0.5013 0.9134 0.3264 heneicosapentaenoate (21:5n3) 1.7597 3.2801 2.4755 3.6336 2.2784 0.223 0.4178 0.2611 0.1928 0.3965 0.3284 0.2607 2.1255 2.2174 2.3637 7.8581 1.7427 6.0441 2.0913 3.0082 1.0183 1.0374 0.7236 9.8332 3.5995 6.5775 1.7379 3.8297 0.4876 18.1905 2.7981 25.3941 0.3952 1.6309 0.9817 0.8981 0.3516 0.2283 0.172 0.2927 0.3041 0.7119 0.4154 0.2098 0.396 0.3717 0.139 0.3454 HEPES 0.9865 0.9696 0.7291 1.0275 0.0002 0.002 0.0002 0.0002 0.0002 0.001 0.0002 0.0002 2.5804 2.3062 2.873 0.8716 1.2829 1.2812 0.7702 0.9355 0.967 1.123 0.9374 1.9454 1.0135 1.1561 0.8923 1.5178 0.668 1.0194 0.8599 1.3205 1.2357 1.2362 1.0489 0.9563 0.0002 0.0002 0.0002 0.0002 0.0005 0.0002 0.0002 0.0002 0.0002 0.0002 0.0002 0.0002 heptadecasphingosine (d17:1) 0.4266 0.4712 0.3944 0.8194 0.9702 0.6286 1.0298 0.9243 0.4557 0.6346 0.6338 0.7936 4.8172 4.2041 4.0839 1.0592 1.6221 1.4111 0.9253 1.0398 1.637 1.9335 1.9908 6.2238 1.7386 1.8505 1.0374 1.4936 1.2492 1.884 1.3193 2.4525 1.4912 1.6489 1.3085 1.2202 0.082 0.0983 0.1084 0.1337 0.3517 0.3838 0.1692 0.2177 0.4692 0.583 0.4782 0.6128 hexadecasphingosine (d16:1)* 0.4397 0.4481 0.3834 0.593 0.9062 0.8025 1.1774 1.0349 0.6048 0.7774 0.9302 0.8767 4.7023 5.0694 4.7681 1.3955 1.5221 1.628 1.0403 0.9651 2.0388 1.9851 2.2563 7.0291 1.885 1.6247 0.9091 1.6561 1.2668 2.3428 1.3008 2.5414 1.7385 1.872 1.5486 1.1784 0.1754 0.1831 0.2184 0.2075 0.5841 0.5127 0.2834 0.2921 0.5562 0.5874 0.5815 0.6555 hexanoylcarnitine (C6) 0.634 0.4811 0.2171 0.468 0.2171 0.2171 0.2171 0.2171 0.2171 0.2171 0.2171 0.2171 31.67 42.6762 0.2171 0.2171 0.2171 0.2171 0.2171 0.2171 0.2171 0.2171 0.2171 0.2171 0.2171 0.2171 0.2171 0.2171 0.2171 0.2171 0.2171 1.0986 0.2171 0.3916 0.2171 0.2171 1.4383 1.0061 0.2171 0.9939 0.2171 1.3654 0.2171 1.3673 0.2171 0.2171 0.2171 0.7819 hippurate 1.2779 1.2838 1.4438 1.5326 0.8555 1.1469 0.9225 1.1062 0.432 0.8063 1.0589 1.2461 5.1218 4.8227 1.5007 0.5919 1.5621 0.9881 0.9093 1.4947 1.4121 1.7353 0.2401 0.8002 0.6339 0.75 0.796 0.405 0.2388 1.217 0.8346 1.3774 1.4748 1.5408 1.5766 1.5532 0.547 0.5435 0.5928 0.5569 1.0155 1.0041 0.943 0.9959 0.7817 0.8408 0.734 1.1564 histidine 1.1542 1.1789 0.8644 0.9967 1.532 1.5554 1.4429 1.2689 1.0328 1.3929 1.4326 1.2063 2.5999 2.2354 2.6506 0.538 0.7416 1.1131 0.6647 0.9161 1.0033 0.99 0.7655 2.1566 0.7803 0.6672 0.7313 0.9628 0.4657 0.8293 0.9203 1.5466 1.0659 0.9105 1.0976 0.8406 0.3613 0.2852 0.5193 0.4751 1.2036 0.8963 0.6532 0.7022 1.4746 1.4439 1.6298 1.0762 histidylalanine 0.1228 0.3502 0.1228 0.1715 0.1228 0.1228 0.1228 0.1228 0.6438 1.5246 0.1228 0.1349 0.1228 0.1883 2.0985 0.4795 1.4884 1.4854 1.8164 1.4609 2.1539 2.2057 2.9751 1.0702 2.1609 1.8725 0.7903 1 0.7391 1.1602 0.6875 0.6782 1.4316 1.4344 1.4038 1.1683 0.1228 0.1228 0.1228 0.1228 0.3107 0.1972 0.3072 0.4089 0.7543 1.0699 0.8022 0.2386 homocysteine 1.1861 0.9893 0.7192 1.4267 0.9535 1.6848 1.5976 0.2319 0.2821 0.4381 0.4622 0.222 1.0498 0.4616 1.4926 0.222 0.222 0.222 0.222 0.222 0.222 0.222 0.222 0.5316 0.222 0.222 0.222 0.222 0.222 0.222 0.222 0.2522 0.222 0.222 0.222 0.222 0.222 0.222 0.222 0.4449 6.632 5.1761 2.0263 1.961 1.1387 0.8964 1.0107 1.6728 homostachydrine* 0.5394 0.6391 0.3942 0.4077 0.6445 1.0377 0.7862 0.6831 0.45 0.3904 1.0411 0.8614 10.8254 9.623 0.0822 0.0822 0.2093 0.7869 0.0822 0.0822 0.0822 0.0822 0.0822 0.0822 0.224 0.0822 0.2549 0.7774 0.0822 0.0822 0.0822 0.0822 0.938 0.9623 1.0435 1.0392 1.669 1.436 1.2902 1.4957 2.6672 2.9776 2.1031 2.0888 2.555 2.648 2.3261 3.1282 hydroxy-N6,N6,N6-trimethyllysine* 0.5684 0.6032 0.2701 0.2975 0.4448 0.4274 0.5871 0.412 0.5359 0.698 0.7027 1.0161 3.0888 3.1058 1.407 0.2787 1.4993 1 1.2505 1.4807 0.513 0.6064 1.8548 1.1155 1.9523 2.1714 0.5063 1.8315 0.6236 1.9082 0.8548 1.4389 0.3059 0.2701 0.2701 0.2701 0.3503 0.3871 0.8285 0.9906 1.8702 1.7718 1.4028 1.4434 7.189 7.2797 6.4707 6.2915 hypotaurine 1 0.8657 0.7337 0.6705 1.111 2.8778 2.4601 1.8004 0.1896 0.2782 2.156 1.0411 38.5845 38.3097 0.7909 0.0765 0.0765 0.0765 0.0765 0.1169 0.1663 0.2145 0.0765 0.0765 0.1282 0.089 0.0765 0.1226 0.0765 0.1365 0.1343 0.4312 0.1271 0.1365 0.3887 0.2634 6.3349 4.2715 3.2758 3.6826 2.8594 2.5654 2.0623 2.9314 10.6307 12.4254 11.52 17.7603 hypoxanthine 2.5698 2.0964 1.6848 2.4188 2.0799 3.0684 2.51 1.75 1.0399 1.397 2.0919 1.7065 7.4978 5.1608 2.1155 0.1526 0.6509 0.8591 0.2009 0.5047 0.642 0.8195 0.4718 1.4167 0.6243 0.6265 0.2655 0.6158 0.331 0.4281 0.462 1.1172 0.9601 0.9102 1.0686 0.8938 0.3302 0.2847 0.6318 0.5702 1.9228 2.1691 0.6976 0.7238 1.2759 1.3114 1.3285 1.4889 imidazole lactate 0.192 0.192 0.192 0.192 0.192 0.192 0.192 0.192 0.192 0.192 0.192 0.192 0.7784 0.9647 0.192 0.192 0.192 0.192 0.192 0.192 0.192 0.192 0.192 0.192 0.192 0.192 0.192 0.192 0.192 0.192 0.192 0.192 0.192 0.192 0.192 0.192 1.5341 1.4797 0.5678 0.9872 0.685 0.921 1.1276 1.2293 1.4708 1.7401 1 1.342 imidazole propionate 1.3269 1.2824 0.9795 1.0205 0.7082 1.3451 1.1743 0.823 0.3438 0.4211 1.2241 0.8353 4.4845 4.9939 0.2456 0.2456 0.3371 0.5722 0.2456 0.2456 0.2456 0.3317 0.2456 0.2456 0.2456 0.2456 0.2456 0.3814 0.2456 0.3255 0.2456 0.2456 0.8121 0.6484 0.7102 0.7564 1.4334 1.2522 0.9746 0.9486 1.0327 1.3755 1.0771 1.1886 5.2364 5.9599 4.628 7.7169 indolelactate 0.124 0.124 0.124 0.124 0.124 0.124 0.124 0.124 0.124 0.124 0.124 0.124 2.919 3.1048 0.124 0.124 0.124 0.124 0.124 0.124 0.124 0.124 0.124 0.127 0.124 0.124 0.124 0.6834 0.124 0.124 0.124 0.124 0.563 0.7501 0.7167 0.5809 0.124 0.124 0.124 0.124 1.1428 1.1665 0.8572 0.124 1.4731 1.6242 1.7937 4.4598 inosine 1.8655 2.1829 1.1353 1.5136 1.6389 2.2942 2.8456 2.6009 0.5961 0.6816 3.3977 3.0603 14.4655 13.1374 0.8008 0.6363 1.6848 1.1264 1.9584 1.5199 0.6321 0.8122 1.0085 0.9464 0.9915 1.2502 1.1649 1.2113 0.9656 0.96 0.6581 1.0342 0.7369 0.7854 0.5921 0.8261 0.4192 0.3132 0.7341 0.8116 0.7138 0.6654 0.7075 0.7107 1.2485 1.2595 0.8382 1.6354 inositol 1-phosphate (I1P) 1.5682 0.889 1.4499 0.8014 1.4692 1.3999 1.5207 2.163 0.4435 0.6462 2.5381 1.7038 4.0657 2.9987 1.9148 0.3227 1 0.6221 0.9345 0.9147 0.8577 0.4815 1.053 0.9865 0.6083 0.7894 0.5364 0.8899 0.4743 1.0955 0.8876 0.6441 0.6871 0.3227 0.7926 0.4336 0.8405 0.5019 1.8542 1.1358 4.4238 1.1696 3.3849 2.3392 2.7823 3.0358 2.6134 2.7349 isobutyrylcarnitine (C4) 1.2749 0.9759 0.6433 0.8983 0.3082 0.4325 0.6228 0.4256 0.3082 0.377 0.6388 0.4053 6.1429 6.8006 1.8944 0.6621 1.1075 1.0241 0.7995 0.9517 0.6469 0.4103 0.892 0.3082 1.5039 1.4642 0.8162 1.5405 0.6869 2.5158 1.8774 3.5559 0.9374 0.8483 0.8316 0.9718 1.7884 1.358 0.953 1.3024 2.1355 2.2228 1.5997 1.7584 5.579 6.3972 5.5624 6.7516 isoleucine 0.7044 0.8143 0.5499 0.6862 1.1368 1.0498 1.1646 1.0704 0.7451 1.0927 1.1587 1.1243 2.1782 2.0638 2.011 0.4983 0.8201 1.2436 0.6266 1.0639 1.048 1.1453 0.869 1.5757 0.9412 0.8753 0.8169 0.98 0.4698 1.021 0.8864 1.2663 1.2118 1.0654 1.1088 1.02 0.3142 0.2838 0.4584 0.4703 0.7988 0.7196 0.4489 0.4913 1.1737 1.1677 1.1658 0.9225 isoleucylglycine 0.3296 0.5142 0.5181 0.4614 1.1321 0.8352 0.9033 1.6515 1.1093 1.6422 1.317 2.3061 0.6108 1.0967 1.8674 0.7628 1.1838 1.6684 2.5992 4.0837 2.2458 1.9959 1.76 1.511 1.789 1.4007 1.4127 1.4068 0.7517 1.1605 0.8845 0.6465 1.3278 1.241 1.2235 0.7612 0.0553 0.0714 0.1486 0.1109 0.1804 0.0984 0.1843 0.3632 0.2251 0.3566 0.2166 0.1377 isovalerylcarnitine (C5) 0.8472 0.7258 0.6143 0.9238 0.7222 1.0538 1.0401 0.6547 0.5561 1.2575 0.91 0.7669 9.7078 14.6686 2.137 0.9131 1.2096 1.9529 0.8478 0.9011 0.6563 0.6071 1.1137 1.0962 1.6379 1.3079 1.0272 1.7576 0.6626 1.6034 1.064 1.4131 0.8336 0.8587 0.6802 1.0878 0.9728 0.899 0.6879 0.2729 1.5997 1.3082 0.8338 0.8825 3.6175 4.2002 3.4926 5.5016 isovalerylglycine 0.8366 0.8366 0.8366 0.8366 0.8366 1.452 0.8807 0.8366 0.8366 0.9367 0.8366 0.8366 0.8366 0.8366 0.8366 1.0515 0.8366 0.9214 0.8366 0.9209 0.9864 1.9662 0.8366 0.8366 1.1182 0.8366 1.0434 0.8366 0.8366 0.8366 0.8366 0.8366 1.0136 0.8366 0.8366 0.8366 0.8366 0.8366 0.8366 0.8366 0.8366 0.8366 0.8366 0.8366 0.8366 0.8366 0.8366 0.8366 kynurenine 0.4653 0.4704 0.3035 0.4977 0.36 0.4773 0.4151 0.3045 0.1675 0.2622 0.4079 0.3556 40.3763 43.5667 1.6677 0.3829 0.6311 0.7359 0.1721 0.2757 1.2744 1.5412 0.3486 0.6648 1.2327 1.3683 0.4061 2.0484 0.6246 0.2891 0.2162 0.7673 4.9404 5.4711 10.1898 10.9361 9.1327 8.0385 10.6036 12.3104 10.9834 12.3334 5.4765 7.1532 9.6107 9.9183 7.9029 6.7718 lactate 0.6981 0.4635 0.5401 0.7752 1.3653 3.1984 2.3648 1.7394 0.2872 0.4377 2.212 1.6882 11.586 9.6353 0.6021 0.1527 0.671 0.4208 0.2244 0.385 0.8038 1.0815 0.111 0.4379 0.2386 0.2473 0.0851 0.1141 0.0597 0.6634 0.4213 0.6521 1.488 1.5607 1.105 0.9185 2.4036 1.9892 1.2593 1.2698 2.3864 2.1841 1.4042 1.8877 2.972 3.2158 3.0377 5.9114 lactosyl-N-arachidoyl-sphingosine (d18:1/20:0)* 16.1038 16.5887 13.2179 20.912 0.1978 0.1978 0.1978 0.1978 0.1978 0.2995 0.3093 0.4071 0.8083 0.7097 0.5826 0.1978 0.1978 0.3192 0.3618 0.318 1.0093 1.0099 0.5548 1 0.27 0.1978 0.2387 0.3599 0.1978 0.1978 0.1978 0.1978 0.1978 0.1978 0.3824 0.3507 2.478 1.9369 1.5473 1.5484 1.1921 1.244 1.1822 1.0524 1.4188 1.3866 1.398 0.8552 lactosyl-N-behenoyl-sphingosine (d18:1/22:0)* 11.9977 13.7611 11.7391 14.6913 1.2227 1.1829 1.1988 1.3592 0.6591 1.0657 1.4206 1.6665 1.7952 1.4023 0.894 0.212 0.4136 0.3145 0.1919 0.2125 1.6734 1.8741 1.0958 2.6477 0.3314 0.3505 0.2379 0.3444 0.3429 0.3658 0.2203 0.4413 0.4989 0.5459 0.5199 0.4961 1.5586 1.2807 1.1808 1.3863 0.8415 0.8305 0.9343 0.7561 1.1111 1.1792 1.1533 0.8042 lactosyl-N-nervonoyl-sphingosine (d18:1/24:1)* 4.6156 4.8637 4.3337 5.4811 1.1281 1.0134 1.1114 0.9866 0.7553 1.1465 1.1781 1.2935 1.3844 1.2372 1.3621 0.5758 0.7544 0.6808 0.6479 0.6831 1.7971 1.9976 1.2459 2.9218 0.5713 0.6044 0.4486 0.7695 0.3551 0.8548 0.5382 0.7232 0.5358 0.5254 0.4439 0.3797 1.8372 1.5536 1.1207 1.0809 0.7545 0.7474 0.7201 0.6513 1.1564 1.2134 1.1862 0.7445 lactosyl-N-palmitoyl-sphingosine (d18:1/16:0) 3.03 4.0587 4.5634 5.3749 1.0796 0.9378 1.1042 1.0635 1.1461 1.4483 1.4994 1.5002 1.0125 1.079 0.7435 0.3295 0.3988 0.2657 0.2187 0.2459 0.9593 0.8627 0.8001 1.5731 0.3965 0.4184 0.1567 0.2909 0.5376 0.4243 0.2849 0.4075 0.3749 0.414 0.3118 0.3982 2.044 2.0502 2.0063 1.4744 1.5261 1.4008 1.374 1.4784 1.0599 0.9875 1.0944 0.763 lactosyl-N-stearoyl-sphingosine (d18:1/18:0)* 11.8316 12.178 10.666 14.4452 0.4818 0.2696 0.4131 0.4222 0.2696 0.8021 0.6057 0.6412 0.4105 0.3487 0.2696 0.2696 0.2696 0.2696 0.2696 0.2696 0.7937 0.9083 0.2696 1.189 0.2696 0.2696 0.2696 0.2696 0.2696 0.2696 0.2696 0.2696 0.2696 0.2696 0.2696 0.2696 2.2234 1.3821 1.4099 1.5927 1.078 1.2382 1.1752 1 0.2696 0.2696 0.2878 0.2696 lanthionine 0.752 0.9451 1.073 1.0211 2.5619 1.6479 1.9334 1.5473 1.7382 3.4088 1.6118 2.3606 0.8665 0.4149 3.0752 0.8209 1.5999 0.3732 0.514 2.4568 2.2189 2.0493 2.247 5.2764 0.7706 2.4351 0.1999 1.1336 0.4855 0.9789 0.8316 1.9123 0.4762 0.8989 1.9443 2.1159 0.509 0.3833 0.4386 0.5767 1.306 1.5716 0.326 0.3539 0.2638 0.3295 0.1103 0.4299 leucine 0.7202 0.8157 0.5697 0.6578 0.9434 0.8259 0.9138 0.8973 0.8861 1.3022 0.9035 1.0596 1.512 1.4862 1.9722 0.6832 1.0214 1.2849 0.9786 1.2293 1.2096 1.3422 1.3184 1.6968 1.2229 1.1305 0.9249 1.0554 0.6661 1.079 0.9371 1.1951 1.22 1.1539 1.1523 1.0264 0.2337 0.2065 0.3558 0.3306 0.7509 0.6288 0.4092 0.4265 1.0332 1.0538 1.0324 0.7807 leucylalanine 0.0941 0.2656 0.1663 0.2513 0.1935 0.1445 0.1721 0.1869 0.8995 1.3751 0.0924 0.2774 0.0711 0.0711 0.8952 2.508 3.9169 2.1358 8.4102 1.9665 2.6175 2.7245 6.4323 0.6547 5.3019 4.8016 2.1974 1.4801 2.2966 2.1904 1 0.4291 2.53 2.4301 2.019 1.9929 0.0809 0.0711 0.0711 0.0711 0.0711 0.0711 0.1128 0.1372 0.0711 0.1437 0.0711 0.0711 leucylglutamine* 0.188 0.3712 0.2923 0.4028 0.4148 0.4186 0.2546 0.3308 1.5706 2.1504 0.2191 0.505 0.1894 0.1824 1.1647 2.6395 4.0934 1.9658 10.6487 2.8683 2.9083 3.1489 9.5939 1.445 4.9718 4.6678 2.6235 1.4163 3.1285 2.8469 1.1926 1 2.4671 2.5712 1.8389 2.0093 0.062 0.062 0.0761 0.0815 0.0827 0.123 0.16 0.1261 0.1213 0.1313 0.1115 0.092 leucylglycine 0.3091 0.6788 0.5908 1 0.3474 0.5467 0.2929 0.4878 1.6117 2.8817 0.2894 0.8248 0.0821 0.3849 2.3637 14.2922 15.1086 8.9382 32.6714 9.645 9.1428 9.595 21.3296 1.5175 19.5532 19.6743 6.6271 5.6481 11.222 6.9917 2.6951 0.9775 11.3826 13.8307 10.5444 11.846 0.1257 0.0821 0.2249 0.1947 0.1313 0.1456 0.2749 0.3091 0.2385 0.2886 0.2089 0.1731 lignoceroyl sphingomyelin (d18:1/24:0) 0.8402 0.8956 0.52 0.6616 1.138 1.0872 1.2036 1.1495 0.5185 0.8621 1.1054 1.2636 1.5525 1.3428 1.8787 0.2728 0.6979 0.8778 0.2542 0.2613 1.7662 1.8938 1.4032 1.8263 0.7807 0.8489 0.391 0.5979 0.4709 0.6477 0.3806 0.721 2.2104 2.2886 2.0004 1.7348 0.4863 0.4016 0.6712 0.6123 1.4607 1.4611 1.0364 0.9636 2.1511 2.3101 2.1836 1.8429 lignoceroylcarnitine (C24)* 5.1308 6.0642 0.9869 1.6237 0.5005 0.5005 0.5005 0.5005 0.5005 0.5005 0.5005 0.5005 1.8641 2.1101 1.3283 0.5005 0.5005 0.5005 0.6436 0.645 0.6799 0.7749 0.9307 2.1416 0.5005 0.5005 0.7718 0.5005 0.5005 1.6196 0.8398 2.5572 0.5005 0.5005 0.5911 0.6662 1.2642 1 1.6984 1.6701 0.8457 1.3807 0.5005 0.5127 0.5005 0.5005 0.5005 0.5005 linoleate (18:2n6) 1.7747 3.613 2.2352 4.8984 3.1014 0.5471 0.7641 0.6888 0.347 0.6837 0.5373 0.4781 1.4257 1.342 1.5873 4.7123 0.9345 2.1763 1.1614 1.7216 0.941 0.9892 0.7844 7.4942 1.3442 2.2335 1.0108 1.3895 0.5737 7.6551 1.4388 10.8781 0.4393 1.398 0.9632 0.9044 0.9343 0.6523 0.5402 0.8052 1.2039 2.0798 1.6604 0.8621 0.9094 0.9569 0.5067 0.9208 linolenate (18:3n3 or 3n6) 2.6687 4.826 3.7818 6.5485 3.5147 0.7799 1.1072 0.9827 0.3856 0.7373 0.6964 0.7076 1.4898 1.3555 1.3675 2.9996 0.8819 1.5312 1.1268 1.5116 0.9994 1.0781 0.8331 10.1673 1.3688 2.3595 0.8026 1.0006 0.6135 8.4189 1.5117 14.7849 0.5185 1.173 0.9777 0.9512 0.5591 0.437 0.3764 0.5051 0.9186 1.5446 1.2448 0.7633 0.8204 0.8811 0.5145 0.8552 linoleoyl ethanolamide 1.5674 3.3841 1.7913 5.3753 3.4783 0.8028 0.9178 0.7325 0.3036 0.8995 0.8095 0.6554 3.4894 5.6145 2.4556 2.2877 0.4384 1.9112 0.3036 0.3036 0.6063 0.913 0.4648 8.1344 0.601 1.358 0.3985 0.5141 0.3036 2.4929 0.3036 5.4678 0.3036 1.4149 0.4772 0.823 0.9106 0.6013 0.3036 1 0.455 1.5958 0.7731 0.3036 3.7321 3.5095 2.0012 3.765 linoleoyl-arachidonoyl-glycerol (18:2/20:4) [1]* 0.3069 0.209 0.209 0.3556 0.209 0.209 0.209 0.209 0.209 0.209 0.209 0.209 0.846 0.7259 0.209 0.209 0.209 0.209 0.209 0.209 0.209 0.209 0.5283 0.209 1.4329 1.2696 1.842 0.9289 0.209 0.209 0.209 0.209 0.209 0.209 0.209 0.3837 1.7143 2.1221 0.7342 1.0711 2.2958 1.5943 1.1923 1.3263 0.209 0.209 0.4024 0.209 linoleoyl-arachidonoyl-glycerol (18:2/20:4) [2]* 1 0.6437 0.6522 1.9092 0.4209 0.4376 0.2744 0.5921 0.2744 0.808 0.641 0.633 1.1914 1.1457 0.6759 0.6827 4.1464 1.6266 4.9097 4.8935 0.5166 0.944 1.2015 5.745 1.7391 1.6687 2.1367 1.9723 0.2744 4.3823 3.5486 8.3161 1.0471 1.1028 1.0035 0.8975 0.2744 0.4807 0.2744 0.3378 0.5385 0.2744 0.6984 0.6203 0.2744 0.2744 0.2744 0.2744 linoleoylcarnitine (C18:2)* 1.1415 0.8922 0.3344 0.9797 0.2866 0.2866 0.2866 0.2866 0.2866 0.2866 0.2866 0.2866 14.1199 24.2273 0.2866 0.2866 0.2866 0.2866 0.2866 0.2866 0.2866 0.2866 0.2866 1 0.2866 0.2866 0.2866 0.2866 0.2866 0.4956 0.4937 1.3079 0.2866 0.2866 0.2866 0.2866 2.0086 1.1133 0.2866 0.2866 0.2866 0.2866 0.2866 0.2866 0.2866 0.2866 0.2866 0.2866 lysine 0.9357 1.0646 0.6752 0.7956 1.4352 1.2214 1.2992 1.2233 1.2481 1.6264 1.2094 1.2483 2.0822 1.9406 2.3272 0.4794 0.7255 0.9632 0.6943 0.9393 1.1169 1.2266 1.1449 2.4005 0.872 0.7948 0.8026 0.8378 0.4664 1.0479 1.0368 1.4277 0.9597 0.8186 0.918 0.7906 0.2711 0.2342 0.432 0.3997 1.2744 0.9196 0.5519 0.5591 1.8672 1.7455 1.8408 1.0764 lysylleucine 0.0933 0.0933 0.0933 0.0933 0.0933 0.0933 0.0933 0.0933 0.0933 0.3431 0.0933 0.0933 0.0933 0.0933 0.9911 0.9124 1.3914 1.1679 3.5015 2.3009 1.1245 1.2639 2.6637 0.5336 1.806 1.821 0.9204 1.0731 0.8461 0.9119 0.211 0.1264 1.0089 1.0296 0.9116 0.7976 0.0933 0.0933 0.0933 0.0933 0.0933 0.0933 0.0933 0.0933 0.0933 0.0933 0.0933 0.0933 malate 1.5196 1.2486 0.9083 1.2485 2.5291 3.279 3.3419 2.9216 0.9572 1.291 3.2691 2.6407 6.7555 6.2116 2.2672 0.1719 0.9541 0.9955 0.4733 0.5472 0.7714 0.7037 0.6794 0.9926 1.0394 1.0045 0.3727 0.954 0.4679 0.7853 0.5348 0.9431 1.0605 1.0131 1.2511 1.0094 0.6582 0.4967 0.6549 0.5832 1.1903 0.7728 0.4882 0.6168 1.1799 1.0589 1.2436 1.8943 malonate 0.9682 0.9905 0.8203 1.0014 1.088 1.1257 0.9709 1.0525 0.77 0.825 0.9986 1.2328 1.3212 1.0624 1.7239 0.5814 1.1449 1.3677 0.7597 0.8214 0.8893 1.3903 1.0406 1.701 1.482 1.4426 0.8911 0.9688 0.8393 1.0021 0.9034 1.2499 0.9483 1.123 0.9934 1.1005 0.7151 0.581 1.0027 1.0722 0.8921 1.4321 0.9048 0.8499 0.8812 1.0693 0.9338 1.561 malonylcarnitine 0.6799 0.6799 0.6799 0.6799 0.6799 1.1646 0.9402 0.6799 0.6799 0.8847 0.6799 0.6799 1.4261 2.138 0.7939 0.6799 0.7073 0.6799 0.6799 0.6799 0.6799 1 0.6799 0.6799 0.6799 0.6799 0.6799 0.6799 0.7507 0.6799 0.6799 0.6799 0.6799 0.9207 0.6799 0.6799 0.6799 0.6799 0.6799 0.6799 0.6799 0.6799 0.6799 0.6799 3.1639 3.428 2.6462 2.7725 maltol sulfate 0.8734 0.8056 0.8179 0.9854 0.6437 1.255 0.7355 0.6067 0.1989 0.1989 0.2722 0.1989 44.1691 48.7547 2.6055 0.7446 1.133 2.3107 1.7632 3.18 0.7698 0.8036 1 1.3415 0.7825 0.8564 3.1945 2.0874 0.1989 1.0746 1.0901 1.9693 4.1144 4.5146 7.7689 7.0476 0.1989 0.1989 0.1989 0.1989 0.1989 0.1989 0.1989 0.1989 0.4062 0.4887 0.4496 0.6399 mannitol/sorbitol 0.1016 0.0925 0.0584 0.1128 0.2532 0.3224 0.314 0.2812 0.2123 0.2801 0.4213 0.3662 0.8147 0.7621 1.1184 0.3728 0.6339 0.5655 0.2853 0.33 3.483 3.8794 1.4347 1.1675 0.9842 0.9973 0.4994 1.7961 0.4934 1.0027 0.8127 1.3006 5.9021 6.024 5.4527 4.8298 3.1241 2.524 2.0133 1.9719 1.0773 1.0702 1.0144 1.0424 2.108 2.1745 2.0786 2.3737 mannose 0.8295 0.6485 0.6275 0.6168 0.8168 0.3515 0.9924 0.4322 0.372 0.5346 0.2192 0.2713 1.4752 0.7885 3.3908 0.4197 1.1044 0.946 0.4698 0.6875 0.8712 1.0237 1.6942 1.8297 1.1099 0.9869 0.6524 1.0076 0.5992 1.0204 1.0674 1.1392 1.0467 0.8981 0.6032 0.4145 1.4953 1.026 2.1056 3.0116 9.9046 7.7833 2.7074 3.503 1.6463 1.3367 1.7138 1.3432 mannose 6-phosphate 0.7258 0.1593 0.3919 0.1593 2.5268 0.1593 1.9515 1.2978 0.1593 0.1593 1.1445 0.6302 8.5063 3.0486 2.1118 0.1593 1.7527 0.1593 0.1593 0.1593 1.1498 0.1593 0.1593 0.1593 0.1593 0.3198 0.1593 0.1593 0.2574 0.2561 0.8322 0.627 1.122 0.1593 1.1073 0.5237 0.8638 0.1593 0.6877 0.4268 4.3978 0.1593 0.782 0.1593 2.0488 0.8927 2.6035 2.3788 margarate (17:0) 1.1902 2.4011 1.4677 3.376 2.0624 0.6114 0.6061 0.641 0.5824 0.892 0.7247 0.6423 1.4026 1.5504 1.0571 3.4631 0.8424 2.1832 1.3562 1.9318 0.9408 1.0473 0.9527 6.1323 1.1398 1.8509 1.8892 1.4672 0.6791 6.6145 1.2672 10.1923 0.5145 1.4018 1.2372 1.2247 0.5802 0.4862 0.4354 0.6815 0.6075 0.9509 0.8737 0.5439 0.7356 0.8104 0.454 0.8371 margaroylcarnitine (C17)* 3.6093 4.0499 1.4815 3.376 0.4314 1.475 0.9357 0.7092 0.2656 0.2656 1 0.8146 17.9842 18.9414 0.7185 0.2656 0.4531 0.2656 0.2656 0.7566 0.7619 1.3271 1.0583 5.7455 0.5664 0.4943 0.8833 0.2656 0.2656 1.8979 1.6583 5.4916 0.2656 0.2656 0.2656 0.2656 0.6329 0.2656 0.2656 0.2656 0.2656 0.2656 0.2656 0.2656 0.2656 0.2656 0.2656 0.2656 mead acid (20:3n9) 0.876 1.8498 1.1343 2.8677 3.5442 0.4452 0.7643 0.6847 0.4347 1.0754 0.3819 0.3933 0.8981 1.0765 5.0593 8.9265 1.2826 5.0331 0.9819 1.3188 2.2222 2.4903 0.8759 8.9307 2.1105 3.5373 0.8911 2.5149 0.4773 5.6717 1.2699 8.0684 0.7418 2.838 1.0339 1.0181 0.7649 0.4667 0.3583 0.6829 0.7174 1.3188 0.8672 0.4291 0.4953 0.4759 0.2232 0.4797 methionine 0.6661 0.7415 0.5652 0.6036 1.1419 0.9454 1.1083 1.0145 0.9343 1.4084 1.0512 1.119 1.8666 1.7393 1.9659 0.5533 0.9429 1.2136 1.0512 1.2816 1.2568 1.3656 1.3462 1.7925 1.1901 1.1026 1.0479 0.9167 0.5976 0.935 0.815 1.1505 1.1229 0.9862 1.0875 0.9335 0.2425 0.2337 0.3334 0.3194 0.7536 0.5936 0.4052 0.4381 1.0246 0.9985 1.0015 0.6676 methionine sulfone 1.9697 1.4601 0.6902 1 1.0732 1.6999 1.4828 0.9474 0.4669 0.4989 2.2775 1.447 14.4785 12.7912 2.3719 0.6573 0.8476 1.2851 0.5562 1.0319 1.42 1.2705 1.1004 2.1254 0.9521 0.8788 0.5942 2.1001 0.3564 0.5421 0.2518 1.153 1.6135 1.7241 2.0692 2.1205 0.7371 0.5921 0.9342 0.9406 0.6413 0.9323 0.5591 0.6462 0.2518 0.2518 0.2518 0.6471 methionine sulfoxide 0.883 0.9644 0.5159 0.8163 1.5486 1.1472 1.2297 0.9452 0.7369 1.2552 1.0356 1.2443 1.1679 1.1054 1.9706 0.6651 1.0891 1.1623 0.6354 1.0991 1.4081 1.6964 1.191 3.2273 1.229 1.2572 0.8601 1.1195 0.5296 0.845 0.8419 1.4254 1.5891 1.3855 1.2946 1.3407 0.1038 0.1166 0.1335 0.1382 0.226 0.2169 0.1005 0.1241 0.3 0.3368 0.3161 0.2777 methyl glucopyranoside (alpha + beta) 0.8027 1.2563 1.2771 1.3084 0.5031 0.3011 0.4563 0.4135 0.2073 0.3311 0.2728 0.3928 0.8501 0.7034 1.2874 2.108 1.0334 1.4032 4.0997 6.6983 0.9225 1.331 1.3925 2.7238 1.2687 1.4666 1.4341 2.8837 0.6617 4.0058 3.071 4.3139 0.8581 1.2653 0.7336 0.9185 0.5014 0.5333 0.6654 0.6787 0.6701 0.9666 0.5435 0.9215 1.2422 1.2444 1.0623 1.3749 methylmalonate (MMA) 1.5494 1.056 1.7372 1.3278 1.0739 0.9396 0.1774 0.1774 0.1774 0.1774 1.5265 1.1988 1.1579 0.1774 1.7338 0.1774 0.944 0.6506 1.7127 0.1774 0.3817 0.4805 0.4211 0.3959 0.1774 0.3002 0.7031 0.7402 0.1774 0.459 0.5871 0.4543 0.1774 0.1774 0.1774 0.1774 0.1774 0.1774 1.1323 0.1774 1.8214 1.6097 0.6417 0.1774 1.1826 0.9136 1.4252 1.3623 methylphosphate 1.9466 1.1668 0.5236 0.984 2.8673 2.3691 3.8423 2.1505 0.9322 1.4007 2.7014 2.0317 7.7058 4.635 0.8576 0.3629 0.3777 0.5138 0.3483 0.4113 0.3757 0.8476 0.469 1.7736 0.3443 0.4453 0.2555 0.5169 0.2242 1.016 0.8322 1.0697 0.444 0.5209 0.4288 0.5057 0.7535 0.8244 1.0478 1.1626 2.3974 2.9914 1.4296 1.7097 1.0339 1.3409 1.0458 1.5144 methylsuccinate 1.4377 1.2536 1.0632 1.1074 0.3142 1.2197 0.9656 0.8986 0.544 0.3142 1 0.8058 8.2719 7.4052 1.974 0.7087 1.0206 1.105 0.8339 0.9624 1.149 1.1995 0.3142 0.3142 0.8336 0.8838 0.7674 1.2655 0.3142 0.8762 0.4985 0.835 1.558 1.4523 1.5194 1.2233 0.6128 0.5797 0.4589 0.4107 0.8116 0.7415 0.7074 0.3142 1.5831 1.5181 1.7223 1.6144 myo-inositol 0.9202 0.9174 0.5804 0.6659 1.5468 2.5237 2.4482 2.1008 0.3535 0.4188 2.0212 1.3385 34.0051 29 2.5193 0.5313 0.879 1.0072 0.6335 0.824 0.8316 0.9197 0.7095 1.0194 1.3037 1.311 0.5664 1.7099 0.394 1.277 0.9928 2.2287 0.5799 0.5617 0.778 0.6971 3.2096 2.3935 2.8544 2.8771 3.3145 3.4115 2.6099 2.7623 0.5075 0.551 0.5406 0.9202 myristate (14:0) 0.8617 1.4495 1.1053 1.785 2.872 0.8208 0.932 0.8636 0.5408 0.8167 0.6626 0.5676 0.9539 0.9178 1.0461 1.7258 0.6465 1.263 0.6324 0.8391 0.5759 0.549 0.5669 2.8108 0.7501 1.1822 0.6087 0.9239 0.4897 3.3648 0.9139 4.9195 0.5043 1.0762 0.8834 0.8549 1.8302 1.5165 1.2893 1.6236 3.4789 4.9724 4.0717 2.6157 2.6782 2.8649 1.6592 3.0282 myristoleate (14:1n5) 1.1821 1.1426 0.9114 1.6462 1.535 1.2182 1.4589 1.4792 0.2621 0.5302 0.5519 0.5846 2.6063 2.3359 0.8351 0.591 0.6468 0.6693 0.6128 0.5774 0.4771 0.4434 0.5665 1.7768 0.7952 0.852 0.2809 0.6102 0.3194 1.0886 0.5463 1.2061 0.4372 0.4255 0.4055 0.5777 4.2334 4.0562 2.3651 2.1594 7.1089 7.1403 4.3458 4.2333 2.1698 2.1159 1.9405 1.6042 myristoyl dihydrosphingomyelin (d18:0/14:0)* 2.4284 2.5154 1.3385 1.9058 1.5182 1.6528 1.7736 1.7434 0.9363 1.3459 2.2125 2.2253 1.2066 1.1774 1.7599 0.3679 0.7519 1.0638 0.6598 0.7667 0.5562 0.6095 1.2457 2.0606 0.8792 0.8454 0.5077 1.2886 0.4516 0.566 0.3696 0.5947 1.3828 1.4968 1.3846 1.2134 0.314 0.299 0.6262 0.5047 1.0637 1.1647 0.5399 0.6354 0.2702 0.2782 0.2495 0.2823 myristoylcarnitine (C14) 1.0638 0.9605 0.479 0.8072 0.7551 1.5813 0.9383 1.0395 0.2601 0.4901 0.8859 0.7485 14.4828 19.7205 0.5651 0.2107 0.2107 0.2107 0.2107 0.2726 0.2107 0.2707 0.4267 1.4079 0.2107 0.2107 0.2107 0.2107 0.2107 0.9203 0.5885 2.4366 0.2684 0.2957 0.2107 0.4132 9.4082 5.433 2.0015 2.2911 3.1349 3.7009 1.6462 2.4186 1.1876 1.0689 1.0658 1.5115 N('1)-acetylspermidine 0.6205 0.7048 0.255 0.5956 0.3068 0.3416 0.4242 0.2823 0.1752 0.262 0.2948 0.3739 4.3401 5.4394 2.0414 1.0016 2.7391 0.9463 0.2923 0.4234 1.4118 1.8918 0.6757 0.7787 0.9984 0.9657 0.1594 0.379 0.9088 0.701 0.478 1.045 1.8345 1.9531 1.6116 1.967 8.8974 11.2459 6.0089 6.7279 2.9768 4.3573 2.8174 3.9117 11.0911 12.6658 8.9258 8.7913 N(1)-acetylspermine 0.256 0.256 0.256 0.256 0.256 0.256 0.256 0.256 0.256 0.256 0.256 0.256 0.256 0.256 0.256 0.256 0.256 0.256 0.256 0.256 0.256 0.256 0.256 0.256 0.256 0.256 0.256 0.256 0.256 0.256 0.256 0.256 0.256 0.256 0.256 0.256 0.8342 0.6913 0.256 0.4444 0.256 0.256 0.256 0.256 1.4199 1.8266 1.1828 1.1658 N,N,N-trimethyl-5-aminovalerate 1.2192 1.2038 0.6671 0.8736 0.8366 1.0116 1.0564 1.1097 0.3609 0.4786 1.0954 1.0569 16.6996 16.2993 0.9884 0.5549 0.8559 1.207 0.2749 0.3657 0.5 0.6715 0.4502 0.3372 0.9099 0.8935 0.4096 1.437 0.3037 0.8641 0.6743 0.973 0.8118 0.6792 1.0508 0.8296 3.0441 2.5892 2.1244 2.3441 3.6466 4.0049 3.165 3.3274 4.6325 5.0786 4.3482 6.2451 N,N,N-trimethyl-alanylproline betaine (TMAP) 1.0324 0.9944 0.8412 1.0078 0.0381 0.45 0.208 0.4999 0.0381 0.0381 0.3451 0.0381 6.5076 6.5104 2.3686 1.015 1.3194 1.0299 0.4537 1.0819 1.0543 1.0435 1.0056 1.547 1.8223 0.0381 0.0381 1.863 0.2247 1.0387 0.0381 1.0345 0.6386 0.4188 0.7833 0.6816 0.6258 0.5548 0.4845 0.4816 0.5371 0.733 0.0381 0.4237 2.0166 2.5183 0.0381 1.9638 N-(2-hydroxypalmitoyl)-sphingosine (d18:1/16:0(2OH)) 2.3853 2.2961 1.8292 2.0408 0.3065 0.2771 0.1832 0.1832 0.3099 0.409 0.4063 0.4314 1.404 1.405 0.1832 0.1832 0.3605 0.4191 6.4729 6.7263 1.6899 1.6777 2.034 5.5243 0.1832 0.1832 3.0402 1.0284 0.1832 0.6623 0.5098 1.0576 0.728 0.6742 0.7174 0.7238 0.9479 0.9318 1.453 1.3875 1 1.0202 0.6353 0.1832 0.1832 0.1832 0.1832 0.1832 N-acetyl-aspartyl-glutamate (NAAG) 1.8761 1.5516 1.4007 1.83 0.1208 0.1996 0.3156 0.2287 0.0683 0.0683 0.0683 0.0683 19.4574 19.1005 1.7728 0.1801 0.9829 1.6056 0.7766 1.1635 0.5589 0.645 1.0625 0.9859 1.1307 1.0873 0.4976 0.5181 1.0121 1 0.8427 1.2157 1.8559 1.9336 1.9551 2.0071 0.3002 0.2474 0.3753 0.469 0.8244 0.9901 0.3997 0.4529 6.7819 7.7806 6.4826 10.1907 N-acetyl-glucosamine 1-phosphate 1.6222 1.5025 0.6478 0.8964 1.0026 1.7444 0.7753 0.9141 0.8863 1.0128 0.9079 1.4009 1.1746 0.8822 1.208 1.1676 2.0827 0.6065 3.1621 3.0972 0.7384 0.8503 1.7379 2.0397 3.9683 5.3692 0.9178 1.9671 2.4676 2.4383 1.48 1.6286 0.5379 0.5026 0.546 0.5878 0.4085 0.5725 1.464 0.9974 0.7859 0.6077 1.3279 1.1316 0.3773 0.373 0.4182 0.4437 N-acetylalanine 1.0896 1.0074 0.897 0.9303 3.1134 2.7827 3.2471 2.5776 0.8748 1.1459 1.3562 1.4576 5.2249 4.505 3.0014 0.2873 1.0004 0.9996 0.8783 1.3442 0.9007 1.0033 0.8319 2.0086 0.9489 0.8884 0.5541 0.7097 0.503 0.4931 0.5609 1.1177 0.985 0.9396 1.0822 0.8724 0.3547 0.3016 0.3282 0.3633 1.6759 1.234 0.5623 0.7337 1.9427 2.0543 1.9786 2.2795 N-acetylarginine 0.3856 0.4369 0.3856 0.3856 0.9811 0.906 0.8153 1.2232 0.473 0.8939 0.853 1.1966 8.2251 11.4733 1.3347 0.3856 0.6289 0.8012 0.3856 0.9258 0.6776 0.8114 0.3856 2.1609 1.8348 2.0661 0.6002 0.6975 0.3856 1.1965 0.6027 2.1837 0.8052 1.1003 1.0189 1.1339 0.3856 0.3856 0.3856 0.3856 0.3856 0.3856 0.3856 0.3856 3.1094 3.9529 3.1442 3.546 N-acetylasparagine 0.5643 0.6353 0.5777 0.53 1.757 2.2878 2.2562 1.7488 0.6497 0.897 1.8509 1.6527 18.5618 21.7312 1.3313 0.4407 1.1012 1.1215 0.3308 0.8872 0.3308 0.8992 0.4513 2.7704 1.7427 2.1176 0.5155 1.9643 0.6933 1.3139 0.7739 2.161 1.809 1.6922 2.2501 2.9153 0.3513 0.3997 0.376 0.4166 0.4377 0.6579 0.5276 0.5154 1.1652 1.188 0.8447 1 N-acetylaspartate (NAA) 2.2271 1.7455 1.388 1.7082 0.0283 0.0418 0.0613 0.047 0.006 0.0067 0.0211 0.0173 16.359 17.3111 3.146 0.3895 1.2235 1.3002 1.3058 1.3436 0.5439 0.6558 0.7605 1.0558 2.2819 2.2806 1.5228 0.7829 1.801 0.9111 0.795 0.9442 1.3829 1.3526 1.8786 1.7139 0.0506 0.0377 0.0624 0.0707 0.1436 0.1338 0.0786 0.0783 1.301 1.2914 1.3058 2.4596 N-acetylcysteine 1.0304 1.5411 1.2269 1.0301 1.7367 1.3119 1.6085 2.3926 1.6327 2.2476 2.6217 3.4706 1.46 2.0627 1.3525 0.1325 0.3368 0.4625 0.1737 0.3938 0.476 0.5739 0.7318 2.4526 0.4686 0.6555 0.1295 0.2928 0.5483 0.4099 0.3147 0.9497 0.3627 0.4124 0.5997 0.632 0.6604 0.5349 0.538 0.9699 1.9679 3.1325 1.9304 2.4061 2.4186 2.4468 1.5497 2.982 N-acetylglucosamine 6-phosphate 3.197 2.9198 1.3348 1.8459 1.3883 2.8198 1.0238 1.0245 2.3113 2.5882 1.0469 1.3107 0.5981 0.28 2.0875 0.1686 1.956 1.1731 0.0608 0.1602 0.9762 1.0952 2.1566 3.319 2.355 2.0992 0.2409 0.7828 1.6805 1.6398 1.7238 2.6879 0.8502 0.7776 0.8751 0.7438 0.1929 0.1792 0.3705 0.2466 0.5633 0.4243 0.2417 0.1355 0.1883 0.1557 0.2037 0.213 N-acetylglucosamine/N-acetylgalactosamine 1.0929 1.2728 0.9962 1.0841 1.2548 1.0537 1.2802 1.1582 0.5109 0.6512 0.9025 1.0268 0.9944 0.8725 1.7121 0.5208 0.6444 0.8043 0.8053 1.114 0.8867 1.0038 0.9642 1.4822 0.9408 0.9079 0.4225 0.941 0.6289 0.6366 0.4564 0.6939 0.6581 0.7682 0.589 0.5614 1.5026 1.3364 1.8926 2.074 3.6139 4.1434 2.139 1.9661 1.9628 1.8593 1.842 2.3569 N-acetylglucosaminylasparagine 1.388 1.3088 1.1086 1.2252 1.2237 1.7879 1.9401 1.5432 0.5641 0.6463 2.1954 1.9967 30.7285 31.3203 1.282 0.1465 0.3891 0.4199 0.1465 0.1465 0.8522 0.9227 0.4511 0.9782 0.9263 1.0951 0.1465 0.5238 0.4707 0.1902 0.2297 0.5232 1.0218 0.8993 1.3295 1.2715 1.0592 0.7706 0.5879 0.8614 0.4828 0.7967 0.1465 0.3983 1.4148 1.8887 1.3864 2.2692 N-acetylglutamate 1.153 1.1627 0.8748 1.2742 0.312 0.4705 0.4902 0.3886 0.0826 0.0996 0.2864 0.2633 9.9911 11.4061 2.0016 0.9216 1.9641 2.2407 0.6481 1.0947 0.7724 1.0301 0.7822 0.9778 4.5582 4.8406 1.0222 2.069 1.2881 2.3106 1.8399 3.1118 3.1294 3.5756 4.3935 4.8703 0.0652 0.0544 0.1045 0.1554 0.2318 0.3048 0.1535 0.1905 0.9274 1.1321 0.8672 2.4298 N-acetylglutamine 0.7482 0.8411 0.632 0.98 1.7784 3.8234 3.3697 3.0352 0.7077 0.922 2.318 2.3942 17.7832 19.4905 1.6664 0.5575 0.9758 0.8817 0.4644 0.6416 1.2149 1.5013 1.2052 2.0318 1.9772 2.6932 0.3285 0.9216 1.3026 1.02 0.6354 1.1576 0.8144 0.9657 1.0701 1.1622 0.4672 0.4915 0.5808 0.568 0.5848 0.6852 0.4971 0.5368 2.4612 3.2876 2.1286 5.0436 N-acetylhistidine 1.6474 1.7529 1.032 1.2483 0.968 0.4336 0.866 0.9319 0.4336 0.4336 0.5003 0.9531 4.8239 6.8563 1.1945 0.6791 0.4336 0.9571 0.8225 1.6796 0.4336 0.7355 0.6234 1.6993 1.5305 1.6116 0.4336 0.4336 0.8845 0.8551 0.4336 0.9273 0.4336 0.4336 0.4336 0.7434 0.4336 0.4336 0.4336 0.4336 0.4336 0.4336 0.4336 0.4336 2.431 2.6405 1.7845 1.8118 N-acetylleucine 0.3391 1.2792 0.3391 1 1.5964 1.1639 1.049 0.7085 0.9682 0.4626 1.8752 0.9903 4.9557 4.5577 1.0254 0.3391 0.3391 0.4761 0.3391 0.9316 0.6775 0.7666 1.5551 1.6421 0.4458 1.6339 0.6271 0.3391 0.3391 0.7734 0.3391 0.466 0.3391 0.3391 0.7372 1.4723 0.3391 0.3391 0.3391 0.3391 0.3391 0.7179 0.9301 0.3391 1.2415 1.7873 1.0416 1.4181 N-acetylmethionine 1.1871 1.3222 0.9641 1.1582 2.3201 1.9977 2.1008 1.8415 0.9742 1.5029 1.2645 1.3855 2.0118 1.6476 2.598 0.3086 0.5549 0.8473 0.6195 0.9277 1.0258 1.2531 1.1486 2.0476 0.7056 0.705 0.5612 0.7001 0.3255 0.387 0.3759 0.8113 1.0346 0.846 0.9442 0.7635 0.2543 0.2139 0.3284 0.3627 1.677 1.2652 0.4372 0.6946 2.2613 2.4154 2.403 2.0234 N-acetylmethionine sulfoxide 1.6169 2.0205 0.859 1.7518 4.3161 3.315 3.2022 2.6246 1.0993 1.9959 1.736 2.1611 1.1845 1.3248 2.3353 0.3759 0.5754 0.9765 0.316 0.8746 1.2139 1.7854 0.9535 4.2233 0.925 0.8977 0.551 0.8891 0.4031 0.4444 0.4602 1.4237 1.4489 1.375 1.1895 1.3268 0.1233 0.1689 0.1433 0.2034 0.5435 0.6081 0.1487 0.2345 0.8199 1.0235 0.7653 1.1449 N-acetylneuraminate 0.7417 0.7981 0.6865 0.8621 1.0856 1.0807 1.1853 1.0316 0.5453 0.7744 0.9829 1.0082 1.3644 1.2955 1.2589 0.4418 0.9333 0.7846 0.4685 0.6069 1.0058 1.0876 1.0745 1.4983 0.8453 0.844 0.3326 0.7323 0.5186 0.9942 0.6921 0.9356 0.6663 0.7164 0.6553 0.6443 3.2451 2.6626 2.2825 2.5812 2.6192 2.5088 2.0317 2.0323 1.9487 2.1011 2.0453 3.0971 N-acetylphenylalanine 1.0899 0.7574 0.5435 0.9785 1.8639 1.0885 1.5732 1.6198 0.5084 0.7651 1.1917 1.4277 3.6126 3.7817 1.7209 0.5084 0.9483 1.0334 0.9553 0.759 1.0215 1.2943 0.5084 2.3462 0.8325 0.913 0.5084 0.6941 0.5373 0.536 0.7178 1.0561 1.4628 1.3637 1.3711 1.2105 0.5084 0.5084 0.5084 0.5084 0.5084 0.6343 0.5084 0.5084 0.5952 0.6373 0.7068 0.7171 N-acetylputrescine 4.2411 4.6558 1.2936 1.4779 2.7948 3.302 3.5736 3.2287 0.2409 0.447 1 1.0449 1.1203 1.331 0.4305 0.0658 0.0658 0.0717 0.0658 0.0658 0.0658 0.0658 0.1254 0.4594 0.0658 0.0658 0.1208 0.0658 0.1224 0.0658 0.0658 0.136 0.0836 0.0658 0.0856 0.0967 2.03 2.1934 1.5172 1.5672 0.9346 1.272 0.8083 0.976 1.1001 1.1752 0.9509 0.6481 N-acetylserine 0.7152 0.9803 0.85 1.1153 0.5968 0.8469 0.7855 0.5945 0.3342 0.44 0.5073 0.4213 3.4354 3.4726 3.2962 1.2498 1.0197 2.5219 0.4147 0.8018 1.718 2.0712 1.1501 1.2942 1.497 1.384 1.272 2.2698 0.771 0.9466 0.9367 1.4632 2.3263 2.3277 1.954 1.8969 0.327 0.2899 0.3501 0.3486 0.6016 0.7421 0.4083 0.3888 1.3001 1.2394 1.1366 1.1701 N-acetyltaurine 1.2151 1.0959 0.9495 1.0985 1.1865 1.5971 1.7692 1.5142 0.1248 0.2066 1 0.7241 2.6407 2.0165 0.2536 0.1248 0.1248 0.1248 0.1248 0.1248 0.1248 0.1248 0.1248 0.2341 0.1248 0.1248 0.1248 0.1248 0.1248 0.1248 0.1248 0.2979 0.1248 0.1248 0.1248 0.1248 1.3538 0.9579 0.705 0.7041 0.9253 0.7509 0.806 0.98 2.6898 2.8936 2.9314 5.9051 N-acetylthreonine 0.693 1.0155 0.6706 1.0457 0.4294 0.5188 0.522 0.3784 0.1705 0.2532 0.3617 0.2803 6.0507 4.5484 6.4577 1.3501 1.0346 2.496 0.5971 0.999 1.3347 1.4067 0.6965 1.001 1.2856 1.1267 2.4489 2.5535 0.4817 0.7545 0.7948 1.506 1.8856 1.6967 1.6267 1.2693 0.3314 0.2476 0.2887 0.2876 0.6667 0.5535 0.2825 0.3009 2.8145 2.6218 3.0085 2.2028 N-arachidonoyltaurine 1.0982 2.4195 0.9018 4.5284 0.1389 0.1389 0.1389 0.1389 0.1389 0.1389 0.1389 0.1389 0.5453 0.8947 0.1389 0.1389 0.1389 0.1389 0.1389 0.1389 0.1389 0.1389 0.1389 1.258 0.1389 0.1389 0.1389 0.1389 0.1389 0.1389 0.1389 0.1389 0.1389 0.1389 0.1389 0.1389 0.1389 0.1389 0.1389 0.1389 0.1389 0.1389 0.1389 0.1389 0.1389 0.1389 0.1389 0.1389 N-carbamoylaspartate 0.207 0.2431 0.2973 0.7161 2.4342 2.6395 3.3883 4.2017 2.0247 1.7151 4.5157 4.1413 7.3106 10.7617 1.1413 0.207 0.4147 0.7015 0.207 0.207 0.5009 0.5267 0.6882 1.146 0.8382 0.651 0.207 0.207 0.9082 0.6489 0.5172 1 1.6299 1.4779 4.2481 3.8983 0.207 0.207 0.207 0.207 0.207 0.207 0.207 0.207 0.5159 0.6078 0.6306 3.4312 N-delta-acetylornithine 1.8991 1.7809 0.898 0.9891 0.898 1.5868 1.3203 1.0551 0.5481 0.5481 1.5149 1.1567 7.1863 6.1814 0.5481 0.5481 0.5481 0.5481 0.5481 0.5481 0.5481 0.6916 0.5481 1.1397 0.5481 0.5481 0.5481 0.9476 0.5481 0.5481 0.5481 0.5481 1.0127 1.0021 1.0906 1.2793 0.657 0.5481 0.7528 0.8308 0.8811 0.9005 0.765 0.8053 0.5481 0.5481 0.5619 1 N-formylmethionine 1.262 1.3771 0.9895 1.1687 1.1794 1.3791 1.3152 1.0917 0.5733 0.7727 1.5769 1.3138 5.0348 4.7687 1.7297 0.1582 0.7253 0.7745 0.2642 0.3126 0.7629 0.8653 0.6399 0.6818 0.61 0.6386 0.2832 0.7269 0.3249 0.3688 0.2674 0.3415 0.7087 0.7278 0.8565 0.7847 1.0503 1.0105 1.2876 1.4753 2.9486 3.6203 2.5077 2.9091 2.3501 2.6583 2.4818 3.0077 N-formylphenylalanine 0.5068 0.4565 0.3582 0.5381 2.0107 1.1614 1.1779 1.1534 0.5787 0.1896 0.8394 1.0762 1.1008 0.1896 2.2275 1.2653 1.0469 1.106 0.4438 0.6052 1.5093 2.3139 0.9531 3.6362 1.5413 1.4699 0.8257 1.2821 0.5727 0.7438 0.841 1.5453 1.8803 1.6191 1.4318 1.1833 0.1896 0.1896 0.1896 0.2255 0.2366 0.3061 0.1896 0.1896 0.3268 0.2869 0.2855 0.2278 N-glycolylneuraminate 0.7354 0.7152 0.5897 0.5897 1.1592 1.2842 1.5019 1.2358 0.5897 0.7102 1.2392 1.4236 3.2039 2.8261 1.3257 0.5897 0.7275 0.5897 0.5897 0.62 0.5897 0.5897 0.5897 1.3992 0.7774 0.7629 0.5897 0.8862 0.5897 0.9821 0.5897 1.1422 0.5897 0.5897 0.5897 0.5897 0.5897 0.5897 0.5897 0.5897 1.2092 0.9386 0.5897 0.5897 0.9841 0.899 1.0415 1 N-monomethylarginine 0.6453 0.8742 0.5361 0.6922 0.4784 0.4767 0.3957 0.3063 0.6046 0.7716 0.3712 0.3507 2.5118 2.2078 4.1043 1.006 1.2019 1.854 0.5573 0.9291 1.3926 1.483 0.994 1.5901 1.4293 1.26 1.2989 1.6105 0.7896 1.8128 1.7154 2.199 1.586 1.3762 1.5362 1.3116 0.2202 0.1654 0.4424 0.3508 0.8374 0.8309 0.4948 0.4027 2.0752 1.9325 2.0514 1.2192 N-oleoylserine 1 2.3478 0.4585 3.0564 1.6961 0.3701 0.3701 0.3701 0.3701 0.7929 0.3701 0.4148 1.1198 1.8301 0.3701 2.7406 0.3701 1.4697 0.3701 0.3701 0.5831 0.813 0.3716 3.4529 0.8475 2.2719 0.3701 0.7683 0.3701 3.0403 0.3701 0.3701 0.3701 0.3701 0.3701 0.3701 0.3701 0.3701 0.3701 0.3701 0.3701 0.8216 0.3701 0.3701 0.3701 0.3701 0.3701 0.3701 N-oleoyltaurine 27.3898 58.2884 23.6156 85.881 5.7002 1.6225 1.3152 1.4793 0.6932 1.6884 1.2924 1.213 7.8142 11.5802 0.5064 2.0103 0.1162 1.0481 0.6359 0.9519 0.1162 0.1162 0.8857 20.9804 0.7725 1.7664 0.8539 0.2922 0.8369 1.4655 0.1162 4.5205 0.1162 0.4852 0.6423 0.7144 0.1162 0.1162 0.1162 0.1162 0.2748 0.5319 0.1162 0.1162 0.4545 0.5942 0.1891 0.7311 N-palmitoyl-heptadecasphingosine (d17:1/16:0)* 1.5939 1.7586 1.3167 1.7415 0.5855 0.631 0.5897 0.5442 0.2964 0.4456 0.4619 0.5 1.9207 1.7303 2.0943 1.3792 0.8426 1.8035 1.4213 1.6985 1.5707 1.6516 1.4876 3.32 1.0497 1.0278 1.6324 2.201 0.5474 1.3008 0.9132 1.4303 1.4221 1.4166 1.0621 0.9722 0.2507 0.2472 0.323 0.283 0.5082 0.4902 0.3355 0.3566 0.1632 0.1684 0.1474 0.1447 N-palmitoyl-sphingadienine (d18:2/16:0)* 2.419 0.6651 0.5555 0.7562 1.871 2.6809 1.7118 1.6773 1.0744 0.543 1.0683 0.4361 1.1991 1.1153 1.4253 0.8607 0.5282 1.1185 1.0381 0.7817 0.5979 0.53 0.7282 1.4895 0.6019 0.5957 0.9879 1.1068 0.789 0.5678 1.5436 0.6742 0.7782 1.5819 2.0506 0.5832 2.6438 2.5861 2.6246 3.4107 1.4912 1.2736 0.9567 1.0121 0.0984 0.1204 0.092 0.0945 N-palmitoyl-sphinganine (d18:0/16:0) 13.5696 14.4896 9.1122 14.0898 0.8145 0.7705 0.7875 0.7681 0.4341 0.7597 1.1294 1.294 2.7106 2.1922 2.5157 0.6568 0.6375 1.8693 3.021 3.3674 1.927 2.3515 3.126 8.2773 0.9615 0.9228 2.6129 3.3452 0.2631 0.793 0.492 1.0385 2.4658 2.4402 2.1332 1.8389 0.2559 0.2353 1.1302 0.8209 0.819 0.8561 0.3191 0.3453 0.1524 0.1701 0.1411 0.1792 N-palmitoyl-sphingosine (d18:1/16:0) 2.9736 3.1189 2.3546 2.9415 0.7936 0.7994 0.7116 0.6603 0.4232 0.596 0.5897 0.6459 1.4818 1.3393 1.7088 0.9735 0.7426 1.3696 1.3316 1.56 1.5807 1.7521 1.4215 3.0824 0.903 0.9172 1.2766 1.6039 0.5235 0.9935 0.7816 1.0676 1.5077 1.4833 1.2042 1.0803 0.7883 0.6933 1.0065 0.9447 1.2222 1.3327 0.9396 0.872 0.5321 0.5626 0.5485 0.478 N-palmitoyltaurine 9.116 20.5154 7.8718 27.8502 0.921 0.1357 0.1357 0.1357 0.1357 0.1357 0.1357 0.1672 1 1.81 0.1357 0.1357 0.1357 0.1357 0.1357 0.1357 0.1357 0.1357 0.1357 1.4403 0.1357 0.1357 0.1357 0.1357 0.1357 0.1357 0.1357 0.1357 0.1357 0.1357 0.1357 0.1357 0.1357 0.1357 0.1357 0.1357 0.1357 0.3595 0.1357 0.1357 0.5139 0.5435 0.2865 1.7378 N-stearoyl-sphingadienine (d18:2/18:0)* 2.6174 2.7159 1.8225 2.4372 0.5282 0.6152 0.5439 0.4372 0.2216 0.3969 0.4162 0.4312 1.0031 0.9242 1.0002 0.5747 0.3749 0.9874 1.1835 1.3491 1.1669 1.3481 0.9998 3.1513 0.4856 0.426 1.3866 1.2707 0.2318 0.9462 0.6913 1.1555 1.0737 1.0589 0.8818 0.7544 2.1474 1.8638 2.7103 2.7802 2.0699 2.2779 1.8388 1.7019 0.1096 0.1311 0.1414 0.0986 N-stearoyl-sphinganine (d18:0/18:0)* 34.0344 37.1172 22.2543 33.8049 0.6199 0.5797 0.6186 0.524 0.1568 0.5524 0.8346 0.9292 2.0357 1.6567 1.0662 0.2488 0.1194 0.7638 2.6447 3.2695 2.0485 2.0928 2.146 8.3239 0.3267 0.2926 2.2836 1.6492 0.1194 0.4358 0.1194 0.9338 1.2924 1.263 1.2396 1.2175 0.1194 0.1194 0.9034 0.5874 0.6211 0.8266 0.1194 0.1194 0.1194 0.1194 0.1194 0.1194 N-stearoyl-sphingosine (d18:1/18:0)* 8.3234 8.7426 6.1606 8.223 0.5586 0.5897 0.5405 0.4922 0.2832 0.4228 0.447 0.4955 1.1849 0.9894 1.0135 0.4185 0.3266 0.7838 1.4318 1.6461 1.5433 1.7518 1.1686 4.3486 0.4225 0.449 1.3908 1.2366 0.2026 0.8111 0.5509 0.967 1.0106 1.0217 0.8003 0.6865 1.2834 1.1306 2.0068 1.8096 2.2775 2.3289 1.6325 1.602 0.3181 0.3209 0.3132 0.2384 N-stearoyltaurine 16.1437 35.0675 15.281 49.0157 5.0871 1.2942 1.3675 1.2701 0.5194 1.2688 0.9559 1 2.9517 3.6369 0.3879 0.6461 0.1639 0.1639 0.1639 0.1639 0.1639 0.1639 0.2795 4.7722 0.1846 0.5564 0.1639 0.1639 0.3098 0.9738 0.1639 2.8602 0.1639 0.1639 0.1639 0.4059 0.1639 0.1639 0.219 0.3775 0.8671 1.6574 0.7098 0.3992 1.7816 1.9611 0.8308 5.1282 N1,N12-diacetylspermine 0.1228 0.1228 0.1228 0.1228 0.1228 0.1228 0.1228 0.1228 0.1228 0.1228 0.1228 0.1228 0.1228 0.1228 0.1228 0.1228 0.1228 0.1228 0.1228 0.1228 0.1228 0.1228 0.1228 0.1228 0.1228 0.1228 0.1228 0.1228 0.1228 0.1228 0.1228 0.1228 0.1228 0.1228 0.1228 0.1228 3.1881 4.0601 1.8486 2.2709 0.1228 0.257 0.2705 0.3678 1.2227 1.4874 0.7773 0.6914 1-methyladenosine 1.57 1.8461 0.234 1 0.234 1.936 0.6085 0.234 0.234 0.234 0.3895 0.234 1.2885 0.234 0.234 0.234 0.234 0.234 0.234 0.234 0.234 0.234 0.234 0.234 0.234 0.234 0.234 0.234 0.234 0.234 0.234 0.234 0.234 0.4866 0.234 0.234 0.234 0.234 0.234 0.234 1.5325 1.805 0.234 0.234 0.5388 0.6846 0.234 0.234 N2,N2-dimethylguanosine 0.4094 0.822 0.4094 0.4094 0.773 1.178 1.4587 0.5299 0.4094 0.4094 0.4094 0.4094 2.0772 1.7777 0.4094 0.4094 0.4094 0.4094 0.4094 0.4094 0.4094 0.4094 0.4094 0.4094 0.4094 0.4094 0.4094 0.4094 0.4094 0.4094 0.4094 0.4094 0.4094 0.4094 0.4094 0.4094 0.4094 0.4094 0.4094 0.4094 0.4094 0.4094 0.4094 0.4094 0.4094 0.4094 0.4094 0.4094 N6,N6,N6-trimethyllysine 1.4486 2.0189 0.7239 0.9004 1.3121 1.0443 1.0845 0.8146 1.4403 2.7706 0.9381 0.996 4.4274 3.8103 4.293 0.201 0.6852 0.9856 0.4326 0.6397 1.6222 1.5698 1.8532 3.5055 1.095 0.8126 0.6595 0.706 0.2561 0.7472 0.7179 1.5293 1.004 0.8991 1.0128 0.7716 0.2234 0.1973 0.3431 0.3865 1.4854 1.3462 0.7713 0.7241 3.284 3.2637 3.4054 2.5607 N6,N6-dimethyladenosine 6.9299 8.7852 2.8905 5.6188 3.5022 5.2846 3.89 0.9997 2.8807 3.519 0.1076 0.3975 0.1076 0.1076 0.941 0.1076 0.1076 0.1076 0.1076 0.1076 1.1365 0.9572 0.3714 2.3173 0.4585 0.1076 0.1076 0.1076 0.1076 0.1076 0.1076 0.1076 0.8585 0.7063 0.8697 0.5202 0.1076 0.1076 0.1076 0.1076 1.0003 1.2738 0.1076 0.1076 0.3716 0.1076 0.1076 0.3642 N6,N6-dimethyllysine 0.6774 1.0992 0.4484 0.4484 1.1533 0.5494 0.9008 0.4484 0.4484 2.0747 0.4484 0.4484 0.4484 0.4484 0.4484 0.4484 0.4484 0.4484 0.4484 0.4484 0.4484 0.4484 1.9874 0.4484 0.4484 0.4484 0.4484 0.4484 0.4484 0.4484 0.4484 0.4484 0.4484 0.4484 0.4484 0.4484 0.4484 0.4484 0.4484 0.4484 0.8898 0.8401 0.5971 0.4484 2.2134 1.8409 2.3971 0.4484 N6-acetyllysine 1.085 1.4066 0.5141 0.3912 2.1078 1.3976 1.961 1.7059 1.0116 2.4661 0.9884 1.135 1.6463 1.2241 2.7191 0.2524 0.6249 0.871 0.3438 0.55 1.2592 1.602 1.0277 2.063 0.6715 0.5514 0.689 0.5264 0.2524 0.8246 0.6796 1.0335 0.5903 0.4738 0.4671 0.3699 0.462 0.2524 0.6655 0.6398 1.9572 1.4223 1.091 0.9344 1.9035 1.888 2.265 0.7674 N6-methyladenosine 4.8625 6.6964 2.8562 4.6954 3.7306 5.7846 4.2417 1.8075 3.3797 4.0401 1.7474 1.4592 2.6131 1.8403 0.6709 0.3436 0.4899 0.4295 0.9287 1 0.8924 0.8915 0.3436 1.4836 0.3436 0.5551 0.3436 0.3436 0.3436 0.3436 0.3436 0.5037 0.9723 0.8209 0.9681 0.7508 0.3436 0.3436 0.3436 0.3436 1.7176 1.7366 0.5402 0.7608 0.9076 0.7854 0.9248 1.4935 N6-methyllysine 1.2307 1.5904 0.7048 0.6628 1.557 1.1248 1.4214 1.319 1.2033 1.8709 1.0701 1.2757 1.9733 1.8746 2.6134 0.1626 0.6096 0.9299 0.3739 0.4435 1.1613 1.3563 1.2645 1.9096 0.9149 0.633 0.8328 0.5247 0.2462 0.776 0.6513 1.1247 0.6078 0.4734 0.6474 0.5923 0.1568 0.121 0.6006 0.4038 1.44 1.3973 1.128 0.7423 2.7177 2.4463 2.8752 0.8119 nervonoylcarnitine (C24:1)* 3.7673 3.6561 0.9163 1.1632 0.334 0.334 0.334 0.334 0.334 0.334 0.334 0.334 1.7381 1.412 0.86 1.1445 0.334 0.4613 0.945 1.3939 0.334 0.334 0.5167 1.0986 0.334 0.334 1.0548 0.9192 0.334 1.7322 0.802 2.167 0.334 0.334 0.334 0.334 1.2727 0.8363 0.9452 1.1011 0.5865 0.4377 0.334 0.3571 0.334 0.334 0.334 0.334 nicotinamide 1.3501 1.5096 1.2769 1.32 1.0971 0.8049 1.2284 1.1087 0.5383 0.8326 0.8874 0.7852 5.3465 5.5204 1.4886 0.2023 1.1382 1.1895 0.5865 0.9383 1.3311 1.705 1.0672 1.4544 1.3717 1.4647 0.3675 1.1829 0.7015 0.8399 0.621 1.0617 1.452 1.5751 1.5219 1.683 0.3495 0.2844 0.308 0.3491 0.4656 0.2378 0.5412 0.587 0.5197 0.4893 0.4699 0.4783 NAD+ 2.7158 2.6081 2.34 3.8127 1.1776 3.3479 1.4025 1.6693 1.059 1.3098 3.1041 3.2425 0.4938 0.4683 0.154 0.0493 0.075 0.0963 0.0493 0.0527 0.108 0.1328 0.1066 0.158 0.0724 0.0882 0.0493 0.0753 0.0493 0.0519 0.0493 0.0742 0.1269 0.1361 0.1259 0.1181 0.941 0.8724 1.2623 1.8359 2.7887 4.3885 2.3643 3.0696 4.1184 5.9146 4.6741 5.4347 nicotinamide ribonucleotide (NMN) 1.1225 1.3017 1.9686 2.8704 0.0838 0.1719 0.0673 0.086 0.1315 0.1547 0.159 0.2751 0.0321 0.0328 0.0243 0.0243 0.0243 0.0243 0.0243 0.0243 0.0243 0.0243 0.0243 0.0243 0.0243 0.0243 0.0243 0.0243 0.0243 0.0243 0.0243 0.0243 0.0243 0.0243 0.0243 0.0243 0.5986 0.6069 1.3816 1.5025 1.5143 2.5379 1 1.2497 1.6488 1.4834 1.5868 1.6047 nicotinamide riboside 54.7766 88.539 21.647 57.8441 0.1263 1.2397 0.3065 0.1263 1.7195 9.4283 2.2685 0.7056 0.629 0.6982 0.2472 0.1263 0.3421 0.2675 0.1263 0.3476 0.2831 0.6782 0.1263 0.9055 0.23 0.2394 0.1263 0.4049 0.1263 0.3718 0.1911 0.4497 0.8589 1.0945 0.5011 0.7168 1.8209 2.1526 3.3274 3.2452 29.5778 84.663 5.0852 5.2225 2.23 2.2152 1.7672 1.6302 nisinate (24:6n3) 1.7093 3.5753 2.5603 5.1958 3.7066 0.5256 0.8121 0.7357 0.3051 0.6989 0.68 0.7231 1.705 2.2064 1.8968 6.6879 1.7753 5.2273 4.4307 5.598 0.8272 0.9378 0.9415 9.9915 2.1538 3.8923 2.815 2.9623 0.5978 16.7954 3.4614 22.0348 0.3787 1.4566 1.1199 1.0585 0.6791 0.4339 0.3284 0.5652 0.3157 0.6647 0.4441 0.2075 0.1457 0.147 0.073 0.1375 nonadecanoate (19:0) 1.2655 2.4276 1.5971 3.8377 1.9353 0.6558 0.6535 0.6104 0.5847 0.8629 0.6886 0.6893 1.5883 1.6029 1.2801 4.0156 0.8951 2.2723 1.9873 2.8468 0.7792 0.881 0.7997 4.8102 0.9836 1.6116 2.3648 1.6604 0.7093 5.9935 1.464 8.3701 0.4839 1.2739 1.0164 1.0833 0.925 0.7668 0.6102 0.9525 0.9806 1.6395 1.4053 0.918 0.8344 0.8679 0.4615 0.7948 O-methyltyrosine 0.6974 0.6554 0.4337 0.5626 1.0343 1.2758 0.9406 1.3393 0.6557 0.7705 0.9566 1.2004 1.4626 2.0708 0.6502 1.7555 1.112 2.5667 2.3004 2.1919 0.7018 1.0844 0.9886 0.7834 1.4149 1.5838 1.8924 3.21 0.7862 1.8176 1.0628 0.665 1.1252 1.8532 0.8458 1.2108 0.4808 0.4135 0.1843 0.2715 0.6518 0.7816 0.2648 0.4413 1.0114 1.0431 0.8805 1.0838 O-sulfo-L-tyrosine 0.368 0.368 0.6888 0.5853 2.5041 2.3981 2.3525 2.2796 1.0463 1.6302 1.9723 2.243 1.5457 0.368 1.4649 0.368 0.368 0.368 0.368 0.368 0.368 0.368 0.368 2.7752 0.368 0.368 0.368 0.368 0.368 0.368 0.368 0.6313 0.368 0.368 0.368 0.368 0.7514 0.368 0.7116 0.7367 0.9221 1.0013 0.6679 0.368 0.6631 0.7566 0.7435 1 o-Tyrosine 0.3451 0.3451 0.5122 0.6158 0.7116 1 0.8294 0.7284 0.6556 1.0348 0.7052 0.6119 1.6599 1.8886 2.1843 0.3451 1.1479 1.7748 0.5462 0.3451 1.4214 1.7267 1.0188 2.2463 1.3718 1.4089 0.3451 1.2369 0.8095 0.3451 0.3451 0.7467 1.767 1.6001 1.4073 1.2395 0.3668 0.3451 0.3506 0.3451 0.3451 0.3451 0.5118 0.3451 1.0776 0.9037 0.8235 0.4 octanoylcarnitine (C8) 0.304 0.304 0.304 0.304 0.304 0.304 0.304 0.304 0.304 0.304 0.304 0.304 16.5724 21.7126 0.304 0.304 0.304 0.304 0.304 0.304 0.304 0.304 0.304 0.304 0.304 0.304 0.304 0.304 0.304 0.304 0.304 1 0.304 0.304 0.304 0.304 3.1948 1.8281 0.5992 0.586 0.304 0.304 0.304 0.304 0.304 0.304 0.304 0.6023 oleate/vaccenate (18:1) 0.7897 1.5478 1.0566 2.0543 1.5747 0.3015 0.4003 0.3496 0.1894 0.4147 0.2408 0.2488 0.8682 0.8696 1.5774 3.7526 0.9107 2.2015 1.19 1.659 0.7546 0.8423 0.6309 3.8794 1.2734 1.8966 0.952 1.6736 0.3086 4.9163 1.255 5.9415 0.3534 1.1002 0.7174 0.6794 1.1525 0.74 0.5487 0.8261 1.1479 1.7764 1.1918 0.6733 1.048 1.1499 0.5944 1.075 oleoyl ethanolamide 1.0612 3.0443 1.5652 3.7715 2.2492 0.6624 0.7826 0.777 0.4633 0.9973 0.562 0.5325 1.2915 2.5251 1.0654 2.5962 0.3943 1.5497 0.3219 0.637 0.4427 0.4905 0.6061 5.2168 1.0027 1.3846 0.5083 0.663 0.2617 2.8956 0.4365 3.8146 0.3624 1.1031 0.658 0.8061 1.2704 1.2154 0.6017 1.256 0.7503 1.7847 1.1258 0.4703 1.5156 1.6888 0.8824 2.1105 oleoyl-arachidonoyl-glycerol (18:1/20:4) [2]* 0.8448 0.8438 0.7098 1.4564 0.4359 0.367 0.4247 0.363 0.3669 0.6069 0.4443 0.3724 0.9975 0.8291 1.3601 1.0463 1.4607 1.5822 2.2125 2.1983 0.827 1.0025 1.1964 1.4087 1.3141 1.2907 2.0395 1.8102 0.7211 1.9701 1.208 2.1161 1.2417 1.2472 1.0948 0.9922 0.8626 0.7515 0.6243 0.5659 1.2511 1.3273 1.089 1.044 0.6997 0.6606 0.6708 0.4987 oleoyl-linoleoyl-glycerol (18:1/18:2) [2] 1.0089 1.0837 0.9987 1.691 0.5314 0.5845 0.5656 0.554 0.3914 0.6378 0.587 0.6276 1.5541 1.3999 0.95 1.445 1.8578 1.7607 1.7971 1.8902 0.776 0.8841 1.0013 1.8695 1.7506 1.7806 1.1931 1.7298 0.7624 2.0927 1.3064 1.8682 0.8715 0.8709 0.6778 0.6566 1.198 0.9371 0.8714 0.8963 1.8147 1.7327 1.471 1.5809 0.5997 0.6082 0.5891 0.5256 oleoyl-oleoyl-glycerol (18:1/18:1) [2]* 0.5817 0.6656 0.523 1.1698 0.1945 0.2848 0.2818 0.1526 0.1176 0.2084 0.1176 0.1176 0.8527 0.7195 1.6784 1.5897 2.0566 2.103 2.0822 2.1516 0.9925 0.8509 0.9219 1.8685 1.8999 1.6927 0.9003 2.7392 0.3432 1.9444 1.245 2.1164 1.0972 1.0075 0.7621 0.6536 1.2272 0.8842 0.8116 0.6957 2.1935 2.5414 1.3879 1.3818 1.0979 0.9111 1.07 0.6117 oleoylcarnitine (C18:1) 4.8165 5.3389 2.4628 4.8643 0.47 1.5811 0.4627 0.6832 0.7872 0.9981 0.939 0.8716 38.5952 49.8752 0.6632 1.6829 0.6703 0.7503 1.4159 1.7859 0.9589 1.1759 1.4505 7.2934 0.8451 0.9423 1.2956 0.4756 0.3882 5.1118 3.1321 9.5899 0.7407 0.9389 1.0019 1.3255 7.3395 5.1523 1.6107 1.7512 0.8418 1.3916 0.5832 0.5941 0.3457 0.321 0.3091 0.3448 oleoylcholine 0.9841 1.1454 0.5693 1.7841 0.4617 0.4617 0.4617 0.4617 0.4617 0.4617 0.4617 0.4617 2.0321 1.8548 0.4617 0.4617 0.4617 0.4617 0.4617 0.4617 0.4617 0.4617 0.4617 0.4617 0.4617 0.4617 0.4617 0.4617 0.4617 0.4617 0.4617 0.4617 0.4617 0.4617 0.4617 0.4617 1 0.6478 0.5245 0.5213 1.6918 2.1609 0.8487 0.6605 1.1393 1.2613 0.941 1.0713 ophthalmate 0.9647 1.0445 1.3728 2.5197 0.0635 0.0635 0.0635 0.0635 0.0635 0.0635 0.0647 0.0635 4.7941 5.7141 0.8935 0.0715 1.149 0.6514 0.2749 0.3985 0.0635 0.0635 0.0635 0.0635 2.7783 2.9984 0.1006 1.0739 0.511 0.5699 0.4083 0.7161 1.0353 1.0442 1.1219 1.2254 0.0635 0.0635 0.0635 0.0635 0.0635 0.0635 0.0635 0.0635 0.0635 0.0635 0.0635 0.0635 ornithine 4.841 5.1498 2.8189 3.2458 0.7974 1.5396 0.7661 0.5787 0.4437 0.5224 0.7951 0.6529 5.048 5.0638 0.9862 0.4142 0.4813 0.8847 0.5975 0.7714 0.3132 0.359 0.4952 0.6795 0.3047 0.3142 0.4825 0.7918 0.2567 0.8982 0.6451 1.196 1.1569 1.0138 1.1148 1.0823 3.2934 2.9909 8.5807 6.7457 6.1126 8.6935 6.0973 4.005 1.1385 1.0667 1.1563 2.0162 orotate 0.2615 0.4533 0.3886 0.4294 1.6281 0.2172 1.1686 5.4986 1.6026 2.6108 3.0929 4.3548 3.3273 5.0444 3.2455 0.1122 0.456 0.9265 0.0414 0.0737 0.9312 1.0688 0.7664 2.1804 0.5367 0.4869 0.0471 0.2424 0.7077 0.5391 0.4952 1.1874 1.6409 1.548 3.6174 3.2539 0.3951 0.2384 0.3631 0.4849 1.8597 1.7072 0.8656 1.488 1.9337 1.886 1.9151 7.5306 orotidine 7.1784 6.2194 5.839 6.7297 1.1546 1.6188 1.7904 1.2212 0.2864 0.36 1.3125 1 8.1443 7.6998 2.3304 0.1402 0.1402 0.1402 0.1402 0.1402 0.1402 0.2807 0.1749 0.4995 0.4056 0.3539 0.1402 0.1402 0.227 0.1402 0.1402 0.1402 0.1402 0.1402 0.3026 0.1402 0.1402 0.1402 0.1402 0.1402 0.1402 0.1402 0.1402 0.1402 0.5621 0.5288 0.5753 1.1176 p-cresol sulfate 0.6722 0.7084 0.7334 1.0399 0.7053 1.0066 0.6952 0.8604 0.5684 0.8493 0.9423 0.9934 6.3994 6.2668 4.1311 3.9136 1.1309 2.0418 1.1975 1.7523 2.8289 3.0685 0.927 1.6864 1.5927 1.7221 1.9801 4.6462 0.751 1.2164 1.0349 1.4916 1.533 1.648 1.1101 1.1586 0.6967 0.7069 0.5594 0.5025 0.6558 0.6586 0.5288 0.6179 0.5323 0.6348 0.5434 0.8315 palmitate (16:0) 0.7705 1.5774 1.0242 1.9751 2.4688 0.6533 0.7108 0.6767 0.4717 0.7709 0.5907 0.5095 0.9909 0.9445 1.0916 2.377 0.5348 1.4781 0.8948 1.177 0.5497 0.5713 0.6362 3.04 0.7933 1.3513 1.1672 1.017 0.5033 3.5233 0.9401 4.4046 0.3779 1.0697 0.9352 0.9601 1.1725 0.8749 0.748 1.1124 1.5195 2.1511 1.7988 1.0091 1.3538 1.3876 0.7715 1.5567 palmitoleate (16:1n7) 0.5551 1.0884 0.7386 1.5813 2.1439 0.4692 0.6132 0.5413 0.2121 0.3945 0.2537 0.2449 0.8059 0.7758 1.1145 2.7298 0.7036 1.476 0.9985 1.4059 0.4405 0.4752 0.6652 4.7472 1.0313 1.5932 0.6742 1.0015 0.3366 5.3603 1.0074 8.1664 0.2991 0.7072 0.5268 0.5326 1.6749 1.2319 0.93 1.1375 2.0377 3.4044 1.882 1.1376 1.5789 1.6071 0.9315 1.117 palmitoleoyl ethanolamide* 0.4203 0.4762 0.5393 0.4203 0.745 0.6453 0.4203 0.4203 0.4203 0.4203 0.4203 0.4203 1.4787 1.6005 1.6421 0.4203 0.4203 0.4203 0.4203 0.4203 0.4203 0.4203 0.6113 0.7758 0.4203 0.4203 0.4203 0.4203 0.4203 0.4203 0.4203 0.4203 0.4203 0.6395 0.4642 0.4203 2.2708 2.1301 1 0.9575 1.5189 1.4625 0.4203 0.7144 5.4521 4.4579 5.54 2.8357 palmitoleoyl-oleoyl-glycerol (16:1/18:1) [2]* 0.2896 0.339 0.2365 0.6193 0.4533 0.469 0.457 0.6337 0.2365 0.43 0.2365 0.2365 0.8838 0.8905 1.0689 0.924 0.2365 1.2606 0.2365 1.2092 0.2672 0.2365 0.8491 1.4445 1.1501 1.3231 0.5499 1.1206 0.2365 1.4774 0.7575 1.1977 0.4296 0.4888 0.2827 0.3427 5.8974 3.8047 2.5128 1.0534 7.4386 8.991 3.8638 4.1633 1.943 2.1818 2.084 1 palmitoleoylcarnitine (C16:1)* 2.3942 1.7525 1.3119 1.7172 0.6821 1.9605 0.8261 0.8672 0.7117 0.5843 1.1121 0.9472 64.8358 90.8882 0.4969 0.8963 0.5198 0.3959 0.7619 1.0057 0.5065 0.6055 1.0195 3.5393 0.2829 0.6845 0.6202 0.2829 0.2829 2.502 1.753 6.454 0.9943 0.9305 1.2871 2.0134 15.011 8.7748 2.8516 2.897 1.8434 2.5182 0.9163 1.0093 0.4744 0.3979 0.3307 0.3769 palmitoyl dihydrosphingomyelin (d18:0/16:0)* 1.7396 1.8389 1.0583 1.7814 1.1326 1.1406 1.248 1.2721 0.7728 1.047 1.5727 1.6448 1.0904 0.996 1.4255 0.4011 0.7627 1.3016 1.1295 1.3038 0.4444 0.4689 1.0857 1.4036 0.8498 0.875 1.004 1.4051 0.5187 0.536 0.4104 0.6243 1.3955 1.438 1.4181 1.3859 0.1969 0.1843 0.4131 0.3688 0.6269 0.6789 0.4166 0.4222 0.2494 0.2486 0.2426 0.2888 palmitoyl ethanolamide 1.1546 1.1942 1.0001 1.4864 1.3492 1.3902 1.2623 1.332 0.6532 0.9356 0.8893 0.9859 2.2749 2.0205 1.5193 0.5228 0.6502 0.8427 0.4239 0.5792 0.7527 0.9404 0.956 1.2842 0.723 0.672 1.0493 0.6361 0.3361 0.5685 0.5825 0.6898 0.9999 1.0329 0.9033 0.8871 2.0919 1.6355 1.095 1.0828 1.4462 1.4743 0.9154 0.9972 3.7891 3.4265 3.9246 3.925 palmitoyl sphingomyelin (d18:1/16:0) 1.1414 1.1877 0.9198 1.1412 1.0278 1.0132 1.0349 1.0293 0.8052 0.9524 0.9469 0.9949 0.9164 0.8633 1.4406 0.8172 1.0666 1.1744 1.0651 1.0734 1.2214 1.2605 1.0718 1.2011 0.9863 1.0051 0.9566 1.1769 0.7604 1.063 0.9019 1.0151 1.2559 1.278 1.0985 1.0502 0.3052 0.2889 0.35 0.3407 0.6091 0.6213 0.5597 0.5661 0.7074 0.7225 0.7086 0.712 palmitoyl-arachidonoyl-glycerol (16:0/20:4) [1]* 0.7904 1.2002 1.5712 2.2104 0.3041 0.3041 0.7288 0.3041 0.7099 0.3041 0.3041 0.9298 0.3041 0.809 0.4043 1.3163 1 1.0701 0.3041 0.3041 0.3041 0.3041 0.3041 0.3041 0.3041 0.3041 0.3041 1.6531 0.3041 0.3041 0.6265 0.3041 0.6367 0.3041 1.2421 0.3041 0.6132 0.3041 0.7806 0.3041 2.1898 2.5162 2.5582 1.9318 1.2399 1.5072 0.8898 0.9199 palmitoyl-arachidonoyl-glycerol (16:0/20:4) [2]* 0.873 0.9062 0.8347 2.0163 0.7241 0.7093 0.7334 0.6725 0.5786 0.8737 0.597 0.7103 1.2853 1.1103 1.25 0.6897 0.896 1.2092 1.1206 1.1958 0.4059 0.4228 0.7141 1.1137 0.7195 0.7076 1.7742 1.3595 0.3108 0.7559 0.4803 0.9879 1.4614 1.2843 1.3779 1.1977 1.154 0.961 1.0121 0.8116 2.5585 2.7143 2.6128 2.4755 1.5505 1.6253 1.4594 1.3925 palmitoyl-dihomo-linolenoyl-glycerol (16:0/20:3n3 or 6) [2]* 0.4611 0.3714 0.2898 0.5076 0.2534 0.287 0.3752 0.3855 0.2212 0.3062 0.5179 0.5301 1.3469 0.9987 1.4384 0.8081 1.0852 1.5742 1.7117 1.851 0.5993 0.661 0.7669 1.7568 1.2078 1.1927 2.3665 1.6929 0.5804 1.8087 0.9785 1.9265 1.2468 1.2075 1.2869 0.9879 0.2667 0.209 0.209 0.209 1.6802 1.7482 1.353 1.439 0.9694 1.1317 1.0504 1.0013 palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]* 0.905 0.7365 0.4621 2.1146 0.5698 0.6229 0.9197 0.746 0.3131 0.7056 0.816 0.748 2.1671 1.8477 1.5846 0.8291 0.5427 1.4907 2.9133 1.8549 0.4151 0.7181 1.1502 2.3342 1.6511 1.6717 1.1742 1.5598 0.2624 2.1163 1 2.3588 0.9864 0.7596 1.2263 1.1078 0.2624 0.9691 1.0943 0.8345 2.5941 2.9532 2.6904 2.9551 0.9971 0.8609 1.0122 0.8767 palmitoyl-oleoyl-glycerol (16:0/18:1) [2]* 0.4991 0.5904 0.4663 1.2312 0.4679 0.3756 0.4505 0.4675 0.1176 0.3581 0.2912 0.3346 1.1404 0.8451 1.3474 0.5767 0.9352 1.1037 1.1502 1.1605 0.4971 0.5889 0.6764 1.5342 0.9027 0.7758 0.7538 1.4643 0.224 1.1246 0.618 1.3482 1.0826 1.0568 0.9432 0.7957 1.4711 1.0884 1.5602 1.2462 4.3479 4.7065 2.9777 3.2164 1.5973 1.5468 1.6008 1.3288 palmitoyl-sphingosine-phosphoethanolamine (d18:1/16:0) 1.1742 1.3673 0.7516 0.9908 1.2407 1.1781 1.1203 1.1064 0.6497 0.83 0.862 0.9684 1.0407 1.1784 1.5659 0.8276 1.0622 1.187 0.7315 0.7466 1.4799 1.4244 1 1.5298 1.1655 1.0654 0.5514 0.8233 0.6732 1.0902 0.7991 1.013 1.4475 1.5018 1.341 1.199 0.1364 0.1364 0.1364 0.1364 0.3351 0.3218 0.3461 0.3998 0.6162 0.4461 0.535 0.5961 palmitoylcarnitine (C16) 2.9295 3.0401 1.0686 1.9183 1.2925 3.3004 1.8298 1.5607 0.7891 0.9978 1.8582 1.4059 24.1706 25.1355 0.6783 0.5626 0.3935 0.3938 0.6604 0.839 0.8879 1.0378 1.1453 3.9325 0.4888 0.5122 0.9564 0.3789 0.3471 2.122 1.5247 5.3691 0.5674 0.6577 0.8097 0.901 2.7734 1.9282 1.0022 1.1851 1.0039 1.4123 0.6243 0.7026 0.461 0.4317 0.4067 0.6284 palmitoylcholine 1.2849 1.2633 0.5855 1.3637 0.6828 0.6786 1.0091 0.791 0.5673 0.5673 0.5673 0.5673 2.5598 2.3804 0.5673 0.5673 0.5673 0.5673 0.5673 0.5673 0.5673 0.5673 0.5673 0.9982 0.5673 0.5673 0.5673 0.5673 0.5673 0.5673 0.5673 0.5673 0.5673 0.5673 0.5673 0.5673 1.0609 0.9672 0.7924 0.7089 1.6337 1.8295 0.9419 1.0018 0.5673 0.8647 0.5673 1.871 pantetheine 5.7623 5.4999 4.2325 5.3799 2.1335 2.7731 1.8113 1.8864 1.9802 2.6096 2.11 2.5519 4.0178 4.0462 1.1901 0.5479 0.7172 0.8632 1.1848 0.9594 0.8116 0.7459 1.0099 1.8613 0.732 0.7379 0.3829 0.622 0.8043 0.9026 0.8746 1.7919 0.5843 0.6624 0.7038 0.7623 0.5217 0.592 0.9901 1.2637 4.5888 6.0769 3.3357 4.1315 0.2725 0.3603 0.2594 0.3733 pantothenate (Vitamin B5) 0.9585 0.9064 0.7794 1.2405 1.7494 3.3908 3.2437 2.2394 0.7456 1.0273 3.9003 2.7776 9.6145 11.4674 0.8861 0.1334 0.3043 0.4849 0.2014 0.2789 0.3764 0.4404 0.2287 0.4949 0.4885 0.5226 0.2328 0.7291 0.2453 0.2609 0.2011 0.4484 0.9281 0.9909 1.2288 1.2294 1.1583 1.0091 1.1173 1.23 3.7562 4.1979 2.8531 3.2335 2.1438 2.4275 1.8694 3.9632 penicillin G 0.0685 0.0685 0.0685 0.0685 2.0851 2.5867 2.9043 3.1601 1.6134 2.4725 1.5588 2.2548 7.5764 8.3092 1.0315 0.0685 0.4167 0.4355 0.071 0.1772 0.2279 0.3282 1.1057 4.0569 1.1499 1.31 2.7353 0.095 0.9685 0.2596 0.1541 0.3168 0.209 0.2363 0.1619 0.206 0.6154 0.6695 0.3032 0.3524 1.2001 1.6456 0.5348 0.5981 1.5763 1.7015 1.2461 2.3322 pentadecanoate (15:0) 1.1214 2.282 1.6011 2.8255 3.0728 0.7448 0.8115 0.8212 0.7097 1.0023 0.843 0.7282 1.1575 1.2584 0.9807 3.5169 0.7798 1.729 1.0822 1.4899 0.7048 0.7465 0.7441 4.0447 0.9816 1.6023 1.3046 1.1397 0.7244 5.0157 1.3061 6.6451 0.4585 1.2485 0.9374 0.9902 0.8842 0.7098 0.6513 0.9977 0.8612 1.5294 1.4158 0.8389 0.8835 1.0113 0.524 1.1178 phenol red 1.3459 1.4262 1.211 1.4014 1.1348 1.1222 0.9904 1.3122 0.5063 1.0179 1.0096 1.2698 2.108 1.994 1.2434 0.3181 0.6572 0.867 0.6774 1.2295 1.1488 1.2937 0.4043 1.7113 0.3162 0.3596 0.8003 0.4009 0.1317 0.8225 0.5878 1.1162 1.1396 1.124 0.9466 0.8617 0.4353 0.4783 0.4877 0.4331 0.8983 0.9289 0.6299 0.7252 1.3795 1.4735 1.4423 1.9967 phenol sulfate 1.2953 1.4579 1.7282 2.908 1.2548 1.7749 1.3266 1.2369 0.7016 0.9822 0.8727 0.8911 18.8989 17.7438 1.0673 1.1305 0.5302 2.2004 0.6316 1.0178 1.5978 1.6825 0.6535 2.3323 0.9652 0.9777 2.6762 6.1648 1.2013 0.5075 0.4182 0.7086 2.0804 2.0886 1.8352 1.7274 0.161 0.1821 0.1088 0.1186 0.1377 0.1667 0.1343 0.1499 0.077 0.08 0.0804 0.1164 phenylacetylglycine 3.6139 3.0857 3.2035 3.8561 0.7783 1.251 1.4255 1.1672 0.3671 0.2895 1.6186 1.4024 19.4812 17.0291 1.1055 0.2473 1.0317 0.9683 0.5066 0.9082 1.2701 1.3622 0.2267 0.8194 0.5268 0.5927 1.6251 0.6075 0.25 0.8507 0.641 1.5792 2.2589 2.2582 2.6069 2.4298 1.0444 0.9173 0.6932 0.6927 0.7793 0.8511 1.2219 1.172 0.7902 0.87 0.8406 0.8224 phenylalanine 0.6474 0.7379 0.5177 0.6356 0.8807 0.7598 0.8345 0.8056 0.6648 0.9384 0.8 0.8925 1.9182 1.8692 2.2888 0.9658 1.1843 1.678 0.9494 1.2161 1.1841 1.3264 1.0342 1.6134 1.3379 1.2617 1.178 1.4238 0.7611 1.2518 1.0758 1.3134 1.5062 1.425 1.3633 1.2556 0.2405 0.2133 0.3744 0.3624 0.821 0.7612 0.4795 0.4683 1.2281 1.2469 1.2248 0.8538 phenylalanylalanine 0.3073 0.8995 0.4468 0.472 0.3344 0.2547 0.1884 0.3193 1.3136 2.1725 0.256 0.6972 0.2794 0.4175 2.2244 3.1529 4.1365 3.4478 6.1656 4.1665 6.075 6.7009 7.8435 1.4084 6.2269 6.3887 3.206 2.643 3.383 2.9918 1.6365 1.1005 4.0979 4.4351 4.2125 3.9798 0.0997 0.1047 0.1894 0.1356 0.2019 0.1803 0.3789 0.4544 0.5799 0.776 0.4254 0.2479 phenylalanylglycine 0.3051 0.7527 0.3627 0.469 0.4328 0.3016 0.2519 0.3788 1.1712 1.8389 0.407 0.9074 0.6232 0.7364 3.0104 1.8148 2.9498 2.8939 2.1987 2.0604 2.7972 3.0243 3.7107 1.5549 3.6767 3.8074 1.4675 1.9908 1.9923 2.5342 1.5025 1.0926 2.9973 2.9811 2.7881 2.6872 0.049 0.0617 0.1335 0.1257 0.3244 0.2115 0.284 0.3224 0.7747 0.8692 0.7081 0.2593 phenyllactate (PLA) 0.0752 0.0752 0.0987 0.0752 0.0752 0.0752 0.1539 0.0752 0.0752 0.0752 0.0752 0.0752 1.8741 2.108 1.1672 0.185 0.3466 0.426 0.0752 0.2147 0.3465 0.4477 0.2496 0.5148 0.318 0.3707 0.0752 0.612 0.0752 0.1924 0.2559 0.5456 0.9781 1.0219 1.1053 1.2502 2.7513 2.3368 1.3362 1.6923 4.5755 4.2078 1.3777 1.8167 9.66 12.9049 10.2155 21.6917 phenylpyruvate 0.0987 0.0987 0.0987 0.0987 0.2082 0.1962 0.1804 0.1427 0.0987 0.0987 0.1171 0.1199 2.8034 2.2409 5.8625 0.7887 1.8138 2.3247 0.3447 0.4058 1.8121 2.7071 1.236 1.0548 2.6635 2.9347 2.6535 4.7652 0.3052 0.8522 0.7387 1.3205 1.4254 1.2392 1.3338 0.8264 0.4333 0.2762 0.4323 0.3333 1 0.685 0.33 0.2959 15.7515 12.8231 19.0921 7.647 phosphate 1.1636 1.1516 0.8445 1.1104 0.96 0.8749 0.9964 0.9733 0.7356 1.0036 0.9472 1.0198 1.1658 1.1396 1.5376 0.6814 1.1671 1.1632 0.9711 0.8655 0.9757 1.0987 1.0359 1.2355 1.2171 1.2671 0.8284 1.0764 0.7631 1.035 0.7561 0.8385 0.9877 0.8925 0.8842 0.8139 0.7016 0.8708 0.8774 0.806 1.3235 1.2704 0.9551 1.0087 1.1033 1.2137 1.1626 1.0805 phosphoenolpyruvate (PEP) 6.7435 5.5925 3.2592 5.8469 5.6817 9.1125 5.9856 3.654 3.4223 4.5656 3.8111 3.2035 0.0096 0.0096 0.7005 0.0611 0.234 0.3623 0.0096 0.0638 0.6979 0.7785 0.2663 2.2635 0.2402 0.2525 0.0283 0.1566 0.1423 0.1753 0.1868 0.5115 0.7667 0.7803 0.9151 0.8499 1.5134 1.3641 1.0849 1.3829 2.4648 2.4434 0.7059 0.8209 2.9613 3.0523 3.1024 5.2669 phosphoethanolamine (PE) 0.8859 0.8114 0.3215 0.2638 0.3213 0.462 0.251 0.1915 0.3378 0.4245 0.2881 0.1984 42.164 40.7038 3.4369 1.5007 2.836 2.3056 0.9533 1.2856 1.0229 1.0905 1.3019 1.451 4.43 4.5465 1.1077 3.8689 0.898 3.5744 3.1231 5.3181 0.9771 0.8883 1.2386 1.0977 0.2962 0.2912 0.2108 0.2078 0.0856 0.0749 0.0869 0.0622 1.4272 1.4199 1.3914 3.4593 phosphopantetheine 4.9439 5.8125 2.7685 4.6172 1.8167 2.6213 1.2926 0.7176 2.1043 4.0488 0.9736 0.9234 1.1564 0.8403 5.7706 0.1173 1.0479 1.4542 0.2129 0.2479 0.8846 1.048 0.9907 2.3277 1.0093 1.2012 0.2062 0.7367 0.5682 1.1738 0.7688 2.6236 0.4743 0.5222 0.5493 0.4886 0.318 0.322 0.9141 0.9522 3.1477 3.6845 2.0793 2.1065 0.5855 0.849 0.5456 1.9735 phytosphingosine 0.5592 0.6008 0.491 0.7079 0.955 0.964 1.1711 1.0508 0.51 0.7821 0.7329 0.94 3.3889 2.9937 3.0585 0.6653 1.1045 1.1392 0.5416 0.5675 1.7807 1.7877 1.5388 2.6417 1.1368 1.1826 0.4723 0.9849 0.7785 0.9362 0.5431 1.0151 1.4461 1.5088 1.1781 1.0455 0.5507 0.4914 0.6017 0.5718 1.8621 1.9485 0.8629 0.9818 2.0423 2.1972 1.9024 2.0526 pipecolate 0.2656 0.8818 0.6877 0.4367 2.2482 2.4727 2.4421 1.5717 1.3457 1.4949 1.2453 1.3193 4.0941 3.1534 1.1351 0.2656 0.2656 0.69 0.2656 0.2656 0.7888 0.5027 0.2656 1.807 0.2656 0.2656 0.2656 0.2656 0.2656 0.2656 0.3516 1.4552 1 0.8719 0.9158 0.7473 0.5803 0.9549 0.5424 0.7093 0.6691 1.2126 0.3521 0.7135 1.824 1.4598 1.5446 2.3985 proline 0.7646 0.8469 0.6248 0.7177 0.8739 0.878 0.8538 0.726 0.8099 1.1161 0.8732 0.8217 4.6392 4.3242 2.5155 0.6926 1.1433 1.3375 0.7337 1.002 1.4128 1.5364 1.2879 1.8779 1.1681 1.1375 0.998 1.1132 0.6672 0.9179 1.0287 1.5304 1.3408 1.1935 1.2849 1.1514 0.675 0.5534 0.5296 0.5414 0.6704 0.6408 0.4922 0.5518 1.1757 1.1979 1.1737 1.0974 prolylglycine 0.8706 1.4808 0.5545 0.6202 1.1062 0.6737 0.9466 1.126 0.689 1.109 0.8774 1.2747 1.2344 1.543 2.0816 0.9278 0.9569 1.5009 1.1326 1.4078 1.0272 1.112 0.8809 1.4007 1.3315 1.2982 1.0074 1.1636 0.5547 0.6857 0.5649 0.9312 1.0455 1 0.9129 0.9821 0.1469 0.1469 0.1469 0.1469 0.6997 0.8073 0.473 0.5163 1.3928 1.4206 1.1923 0.8532 propionylcarnitine (C3) 1.0079 0.9281 0.7173 0.7766 0.3923 0.5566 0.5632 0.5775 0.5352 0.6909 1.5617 1.3688 9.278 12.9095 1.7969 0.6971 1.204 0.9151 0.8022 0.9921 0.4042 0.4679 1.1052 1.0403 1.4631 1.7025 0.5512 0.6423 0.5873 1.861 1.4169 2.8435 1.2349 1.2381 1.2874 1.4421 0.9703 0.7916 0.7015 0.8222 1.3028 1.3977 0.6855 0.8298 1.715 1.8581 1.575 2.5302 pseudouridine 4.5819 5.0525 1.7251 3.6378 2.6545 7.7033 5.335 2.627 1.8573 1.6065 2.0944 1.139 2.023 2.7436 1.7351 0.4467 0.403 0.7437 0.5989 0.7061 0.9565 1.0048 0.5748 1.4681 0.9012 0.7649 0.3535 0.6914 0.2104 0.3651 0.2816 0.5409 1.4668 1.3581 1.3328 1.0748 0.6957 0.634 0.3355 0.4772 3.1167 2.1926 0.3822 0.6802 1.1208 0.9325 0.9691 0.9952 pterin 0.5534 0.5534 0.5534 0.5534 1.1941 0.962 1.1176 1.0991 0.5534 0.5534 0.5534 0.6301 3.7273 3.834 1.0543 0.5534 0.5534 0.5534 0.5534 0.5534 0.875 0.8712 0.5534 0.5534 0.5534 0.5534 0.5534 0.5534 0.5534 0.5534 0.5534 0.5534 0.5534 0.5534 0.5534 0.5534 0.5534 0.5534 0.5534 0.5534 0.6382 0.6122 0.5534 1.038 0.5534 0.5534 0.5534 0.5534 putrescine 1.9119 1.5969 0.3416 0.3168 0.7931 1.2766 1.2138 1.0183 0.2098 0.2098 0.5369 0.5486 6.3847 6.1689 1 0.2098 0.2098 0.2098 0.2098 0.2098 0.2098 0.2098 0.2098 0.4618 0.2098 0.2098 0.2098 0.2098 0.2098 0.2098 0.2098 0.2098 0.2098 0.2098 0.2098 0.2098 0.4036 0.4712 0.2725 0.3349 0.2098 0.2098 0.2098 0.2098 5.2459 6.2255 5.5492 2.4656 pyridoxal 0.5883 0.5589 0.6519 0.5832 1.0447 0.8761 1.4671 1.3031 0.4004 0.6034 1.2413 1.399 4.4842 4.7761 1.3676 0.5132 0.9663 1.0949 0.7536 0.9837 1.1584 1.4367 0.7987 1.1094 0.9453 1.0836 0.4297 1.0163 0.4511 0.8698 0.583 1.3042 1.0316 1.1027 0.9128 0.9307 0.9274 0.6641 0.9298 0.93 1.6888 2.131 1.4 1.4827 1.2085 1.3131 0.9739 1.2101 pyridoxal phosphate 0.8933 1.1383 1.0193 0.9611 2.1425 2.8419 2.1808 2.1812 0.7415 1.1549 1.0884 0.9557 0.2304 1.1956 0.2304 0.2304 0.2304 0.2304 0.2304 0.2304 0.2304 0.4172 0.2304 0.2304 0.2304 0.2304 0.2304 0.2304 0.2304 0.2304 0.2304 0.2304 0.2304 0.366 0.2304 0.2304 0.6258 0.2304 0.5916 0.2304 0.2304 0.2304 0.2304 0.2304 0.9698 1.2628 0.9807 1.161 pyridoxamine 0.6687 0.61 0.4254 0.5889 1.0162 1.0201 1.5963 1.2191 0.2734 0.425 1.3529 1.1786 3.6046 3.358 1.2917 0.3156 0.8108 0.9838 0.428 0.564 1.0955 1.0206 0.6 0.8111 0.7672 0.7601 0.2657 0.8728 0.3482 0.9178 0.7522 1.1398 0.5309 0.5573 0.5457 0.6047 1.0666 1.2248 1.3051 1.1744 2.9844 3.8671 1.9066 2.2038 1.3681 1.4688 1.1597 1.3736 pyridoxamine phosphate 1.5743 1.2458 1.3783 1.3584 1.2056 1.1813 1.2207 1.1933 0.3324 0.5039 0.6754 0.9324 0.9687 1.7859 1.3886 0.5213 0.6622 0.8417 0.3563 0.2917 1.0201 1.2824 0.5135 0.8917 0.4408 0.6054 0.6742 1.0041 0.3489 0.431 0.305 0.4603 0.9289 1.074 0.7769 0.7852 1.1559 0.9959 1.0469 1.0817 1.6854 1.7355 1.3448 1.4306 0.8928 1.2481 1.0378 1.3977 pyridoxate 0.6821 0.4831 0.4831 0.4831 0.7676 0.8956 0.4831 1.1354 0.4831 0.4831 0.4831 0.9073 3.5061 2.5737 6.1706 0.4831 1.6858 2.8735 0.6131 0.4831 2.3912 2.6985 0.4831 0.4831 0.4831 0.811 0.7663 2.5655 0.4831 0.4831 0.4831 0.7099 2.1771 1.912 1.3041 1.4165 0.4831 0.4831 0.4831 0.4831 0.4831 0.8677 0.5477 0.4831 0.8291 0.7579 0.7924 1.0927 pyridoxine (Vitamin B6) 0.2948 0.2948 0.2948 0.2948 1.0258 1.4025 1.215 1.5551 0.6212 1.1791 1.4339 1.8278 5.4846 5.7152 1.2002 0.2948 0.9662 0.9843 0.5685 1.2402 0.6335 0.8122 0.2948 0.8028 0.4403 0.5321 1.1645 0.4236 0.2948 1 0.6015 1.1937 1.7682 1.7521 2.0899 1.8905 0.2948 0.2948 0.422 0.2962 0.2948 0.5017 0.4408 0.4036 0.9786 1.167 0.9305 2.1832 pyroglutamine* 1.1307 1.1392 0.9486 0.9912 0.6743 0.9608 0.8418 0.6986 0.3639 0.4865 1.2178 0.9336 8.4227 7.7106 1.1102 0.6188 1.0088 1.2923 0.7231 1.0681 0.9052 0.9859 0.548 0.6502 0.9706 1.0651 0.5679 1.4725 0.4994 1.1178 0.7764 1.3719 1.3814 1.609 1.6847 1.9179 1.0715 1.0383 0.9183 1.1788 0.6422 0.8276 0.739 0.846 3.7496 3.9688 3.5094 3.6268 pyruvate 0.8998 0.7958 0.6105 0.9485 1.9548 2.3271 2.8573 1.9952 1.2775 1.547 2.1864 1.6834 8.0318 6.7317 0.9091 0.0855 0.3593 0.3853 0.0855 0.3386 0.5656 1.1456 0.4635 2.1291 0.5396 0.7335 0.1351 0.2738 0.1811 0.2892 0.2788 0.6917 0.5414 0.7148 0.6304 0.5956 1.1437 1 1.3318 1.9455 1.9409 5.8341 1.372 1.5476 3.0337 2.6736 2.9469 3.1268 retinol (Vitamin A) 0.7873 0.7655 0.5791 0.8495 0.5049 0.5342 0.9963 0.7613 0.5483 0.6929 1.0519 0.8169 2.2591 1.6483 0.8557 0.706 0.541 0.751 5.1382 4.1472 0.5049 0.5049 2.2415 3.0312 1.0067 1.1111 3.8884 0.6066 2.2193 1.6886 1.0037 2.4608 0.5049 0.5049 0.5049 0.5049 1.1893 0.9554 1.2393 1.144 1.9539 1.6235 1.4206 1.5896 0.6725 0.59 0.7272 0.7309 ribitol 0.7341 0.4235 0.432 0.4623 0.3241 0.3606 0.4436 0.2245 0.1555 0.1261 0.5515 0.3314 23.5817 17.4832 3.4572 1.2447 0.4083 0.4991 0.1962 0.3302 4.0352 4.3224 1.6587 1.7177 2.8465 2.3379 0.93 3.7299 0.2248 0.7175 0.4338 0.8962 4.7329 4.7128 5.4941 4.5481 2.5882 2.3493 1.851 1.5011 1.0291 0.9709 0.7074 0.7215 1.7493 1.6833 1.704 1.4444 riboflavin (Vitamin B2) 1.437 1.9273 0.7532 1.3985 0.4689 0.6453 0.5653 0.4815 0.7974 1.1099 0.5795 0.5026 0.9516 0.801 3.6433 1.0938 1.9184 2.6101 1.0302 1.1382 1.0041 1.1803 1.4867 2.3067 1.3564 1.3324 1.8098 2.2195 0.6202 1.5199 1.0741 1.6388 1.3052 1.0164 0.9254 0.6998 0.5118 0.52 0.5918 0.6486 0.9959 1.3843 0.6294 0.6255 0.713 0.782 0.7888 0.8749 ribonate 0.4716 0.5417 0.3821 0.475 0.9436 1.643 1.6297 1.0913 0.3427 0.5424 1.2696 1.0922 19.1962 17.5439 1.3251 0.3779 0.9099 0.6016 0.4349 0.4856 0.7785 0.8554 0.8836 2.0186 1.1871 1.0976 0.4461 0.3675 0.4704 1.3127 1.0564 1.6222 0.8606 1.1641 1.4742 1.3602 0.5158 0.5757 0.408 0.6943 1.6159 1.577 1.0649 0.921 1.2341 1.3071 1.3903 2.4393 ribose 2.6726 1.6705 0.8852 1.2165 2.9756 2.0688 3.1789 1.6856 0.711 0.9833 2.3635 1.8854 7.9399 3.3584 2.9152 0.2537 1.6524 0.9206 0.5188 0.7243 0.5136 0.6665 1.0864 2.0741 1.7164 1.3933 0.2988 0.7521 0.4518 0.6191 0.6812 1.0821 1.0223 0.9364 1.0635 0.7429 0.4059 0.2644 0.863 0.6751 3.1278 3.2365 1.0438 1.0167 0.4492 0.3362 0.537 0.3939 ribose 1-phosphate 2.2162 1.224 0.4643 0.9509 2.7169 3.3114 4.2209 3.8351 0.6436 1.3209 5.1669 4.6073 10.8573 14.5319 0.5204 0.1242 0.8006 0.1838 0.8996 0.7855 0.63 0.2049 1.2108 1.3014 0.3393 0.436 0.1242 0.1242 0.1476 0.9441 0.4213 0.687 0.2779 0.1899 0.2549 0.2182 0.5023 1.0887 1.8312 1.0491 1.7076 0.2274 1.9223 2.1576 1.7836 2.6916 2.3429 4.7413 ribulonate/xylulonate/lyxonate* 0.6934 0.7142 0.324 0.7003 0.7165 1.0357 0.7675 1.0116 0.324 0.324 0.324 0.9723 6.7875 6.3662 1.359 0.324 0.324 0.324 0.324 0.324 0.324 0.5908 0.324 0.324 0.324 0.324 0.324 0.324 0.324 0.324 0.324 0.5128 0.8842 0.7735 1 1.0769 0.4808 0.324 0.324 0.324 1.1115 1.3873 0.324 0.324 1.4524 1.4221 1.6697 1.514 ribulose/xylulose 5-phosphate 3.5357 0.7745 0.321 0.2637 9.1381 10.2527 12.3661 6.8461 1.7922 1.9725 11.7544 5.2904 56.1154 24.3623 2.4266 0.1 1.1508 0.1 0.4405 0.1 0.6062 0.1 0.8346 1.4224 0.8389 0.7963 0.1 0.2436 0.1 0.4084 0.6151 0.9869 1.5667 0.6501 2.4247 0.7742 0.1842 0.1 0.1 0.1 1.0131 0.1 0.1 0.1 0.1 0.1 0.1 0.2385 S-(1,2-dicarboxyethyl)glutathione 0.5611 0.2741 0.269 0.2704 0.7103 0.9948 1.3816 1.0052 0.269 0.269 1.9587 1.0605 18.3467 15.3175 0.269 0.269 0.269 0.269 0.269 0.269 0.269 0.269 0.269 0.269 0.269 0.269 0.269 0.269 0.269 0.269 0.269 0.269 0.269 0.269 0.269 0.269 0.269 0.269 0.269 0.269 0.269 0.269 0.269 0.269 0.269 0.269 0.269 0.269 S-1-pyrroline-5-carboxylate 0.3445 0.5885 0.627 0.9162 0.4965 0.8715 0.29 0.4405 0.683 1.0209 0.6339 0.4209 6.6553 5.686 1.4953 0.29 1.2739 0.7191 0.29 0.29 0.8541 0.29 1.4293 1.433 0.7945 1.0923 0.29 0.7657 0.5148 0.8988 0.29 0.7592 0.994 0.8492 1.006 0.9628 21.5897 19.1621 38.8618 32.6021 41.3345 42.9212 40.5548 34.0095 7.6282 9.7783 7.0874 14.4661 S-adenosylhomocysteine (SAH) 2.4549 2.4399 1.8188 2.7891 2.1132 2.3963 2.7987 2.747 0.8124 1.3449 2.1788 2.0686 5.125 4.2737 1.4317 0.4003 0.7852 0.9106 0.2882 0.567 0.7443 0.9536 0.5929 1.449 0.6654 0.7457 0.3923 0.7299 0.376 0.517 0.4345 1.0464 0.7432 0.7999 0.8031 0.7372 0.5085 0.5059 0.6312 0.6861 1.9268 1.9217 1.2163 1.4211 1.0738 1.3977 1.1495 1.8324 S-adenosylmethionine (SAM) 0.2962 0.4011 0.2962 0.2962 0.6191 1.8761 1.793 1.5097 0.3325 0.2962 3.2352 2.1605 30.1646 34.3502 0.2962 1 0.2962 0.2962 0.2962 0.2962 0.2962 0.2962 0.2962 0.8352 0.3947 0.2962 0.2962 0.455 0.2962 0.3116 0.2962 0.2962 0.2962 0.2962 0.5888 0.2962 0.2962 0.2962 0.2962 0.333 4.2471 6.028 1.4062 2.0992 0.2962 0.5371 0.6001 3.6075 sedoheptulose 0.2822 0.2572 0.1666 0.3281 0.1666 0.1666 0.1666 0.1666 0.1666 0.1666 0.1666 0.1666 0.3653 0.1666 0.618 0.1666 0.1666 0.1666 0.1666 0.1666 0.1666 0.1666 0.2587 0.5776 0.1666 0.1666 0.1666 0.1666 0.1666 0.1666 0.1666 0.1666 0.1666 0.1666 0.1666 0.1666 2.2294 2.122 6.8818 9.275 27.2092 32.5137 14.2363 12.8608 0.9916 0.752 1.0084 1.041 sedoheptulose-7-phosphate 0.9978 0.9094 0.5939 0.9909 1.5204 1.2091 1.7098 1.4051 0.3957 0.6132 1.1927 1.0126 3.6719 2.2752 1.8505 0.2289 1.3492 1.0199 0.2914 0.4764 0.785 0.8307 0.953 0.8777 1.0022 0.9863 0.3313 0.6946 0.4174 0.6771 0.753 0.8265 0.6677 0.5936 0.618 0.5326 1.7412 1.4892 2.7794 3.1568 8.0651 5.149 3.733 2.997 11.7379 11.839 12.637 15.0813 serine 0.6137 0.7264 0.5226 0.6426 0.7769 0.6641 0.7081 0.5901 0.8021 1.1084 0.6878 0.7021 1.8533 1.7067 3.3609 0.9497 1.1903 1.7701 0.5833 0.9588 1.27 1.3579 1.0412 1.8019 1.3616 1.2196 1.1897 1.4521 0.7212 1.4154 1.3558 1.7202 1.5419 1.3735 1.4229 1.2173 0.2086 0.1849 0.3225 0.2889 0.7519 0.6826 0.4026 0.3772 1.4753 1.4377 1.5539 0.9174 serotonin 0.2269 0.2269 0.2269 0.2269 0.7996 1.1754 1.6158 1.5213 0.8892 1.1108 1.3143 1.258 1.4352 1.7061 0.3404 0.2269 0.2269 0.2269 0.2269 0.2269 0.2269 0.2269 0.2269 0.2269 0.2269 0.2269 0.2269 0.2269 0.2269 0.2269 0.2269 0.3359 0.2269 0.2269 0.2269 0.2269 0.2269 0.2611 0.6458 0.7765 2.2681 3.022 1.1483 1.6493 0.565 0.6032 0.3736 0.5444 spermidine 3.5943 3.2183 3.47 3.21 3.551 7.3688 5.0002 2.9656 4.4517 2.5754 3.9693 2.5709 14.4551 13.3986 0.977 0.1006 0.2453 0.1877 0.1059 0.1121 0.2017 0.2066 0.3177 1.3602 0.4762 0.4394 0.0559 0.1634 0.23 0.2048 0.2738 0.8412 0.3559 0.3287 0.51 0.5236 1.596 0.7635 1.4537 1.6718 1.6303 1.6544 0.7305 0.6379 1.023 1.1017 1.0395 2.8243 spermine 0.7192 1.5941 3.3582 0.9818 2.7119 4.5987 2.5623 1.7092 12.4151 13.1206 4.4033 3.8056 0.7921 0.8715 1.5881 0.1801 0.187 0.4631 0.1942 0.2667 2.0187 1.8874 0.5707 11.1602 0.4616 0.4577 0.1957 0.2358 0.1801 0.346 0.4857 2.1062 0.3589 0.2617 0.3965 0.3653 2.1309 1.1005 1.6676 1.7833 0.6191 0.6721 1.6056 0.5932 1.458 1.3931 1.2104 1 sphingadienine 0.5696 0.6142 0.5634 0.8346 1.0881 0.7193 1.1508 1.0586 0.501 0.7387 0.8372 1.0066 2.7427 2.3696 2.7757 0.6173 1.0727 0.9934 0.8143 0.8648 1.8161 2.1022 2.0691 5.8949 1.2797 1.4244 0.7521 0.8406 1.0868 1.5914 1.0211 1.8962 1.135 1.1573 1.0744 1.0173 0.8042 0.6393 0.8511 0.9518 1.1136 1.2158 0.742 0.6686 0.6512 0.6608 0.6271 0.5973 sphinganine 1.2235 1.4373 0.9851 2.1226 1.0393 0.9757 1.1428 1.0149 0.5971 0.8946 1.0971 1.081 3.8237 3.4088 3.0208 0.7508 0.9439 1.2753 0.7371 0.8508 0.8569 0.9012 1.5923 5.1652 1.1908 1.1767 0.7734 1.335 0.7575 1.1118 0.6931 1.3052 1.9056 1.9566 1.6837 1.4675 0.1704 0.1579 0.3299 0.2742 0.6287 0.6096 0.2584 0.2794 0.7879 0.8495 0.8103 1.109 sphingomyelin (d17:1/14:0, d16:1/15:0)* 1.1569 1.3274 1.0742 0.9684 1.3883 1.4285 1.4278 1.312 0.7065 1.0225 0.9698 1.07 1.2859 1.1255 2.0778 0.6767 1.1627 1.0049 0.5274 0.6105 2.0993 2.5216 1.3541 2.7189 1.0576 1.1416 0.3913 0.9462 0.404 1.2419 0.7969 1.2131 0.9321 0.9951 0.7923 0.6744 0.3565 0.2932 0.3736 0.3228 1.2498 1.2289 0.709 0.8636 0.7656 0.8017 0.704 0.5698 sphingomyelin (d17:1/16:0, d18:1/15:0, d16:1/17:0)* 0.894 0.9336 0.622 0.8536 1.0496 1.0751 1.084 1.0654 0.6575 0.8918 0.876 0.9612 1.3105 1.2522 2.0127 0.9619 1.4057 1.283 1.1125 1.2495 1.4734 1.5777 1.3672 1.6515 1.2858 1.2478 1.0208 1.3758 0.6503 1.3758 0.9792 1.4213 1.1335 1.1851 1.0386 0.9215 0.1632 0.1441 0.1935 0.1755 0.4874 0.5121 0.3825 0.4119 0.6386 0.6439 0.6032 0.5832 sphingomyelin (d17:2/16:0, d18:2/15:0)* 1.3606 1.4943 0.9128 1.3809 2.0411 2.0154 1.9404 2.0369 0.9327 1.4562 1.4948 1.6397 1.6992 1.483 2.0501 0.6581 1.3428 0.9936 0.8911 1.0051 2.5779 3.0925 2.0551 4.1731 1.4327 1.3262 0.6658 0.6528 0.6374 1.3746 0.9949 1.3313 0.8456 1.0423 0.7704 0.7103 0.1629 0.2025 0.1532 0.2809 0.7914 0.7478 0.4915 0.4733 0.7551 0.8942 0.7226 0.7198 sphingomyelin (d18:0/18:0, d19:0/17:0)* 7.3799 7.9207 3.6786 7.3183 0.9494 1.0129 1.0104 1.0832 0.4971 0.86 1.5768 1.7358 1.1557 1.0495 0.9156 0.2296 0.5591 1.2962 1.5217 1.7443 0.4342 0.4899 1.1889 1.9172 0.7569 0.7977 1.4172 1.5375 0.2877 0.5377 0.3603 0.6729 1.5416 1.5978 1.6335 1.4272 0.1337 0.0642 0.3361 0.3287 1.0486 0.9896 0.4131 0.4329 0.0642 0.0642 0.097 0.1114 sphingomyelin (d18:0/20:0, d16:0/22:0)* 6.9107 8.9437 3.5995 8.6655 0.96 0.8762 1.1149 1.04 0.2755 0.5581 1.073 1.2509 1.8968 1.5873 1.4562 0.3299 0.7041 2.0707 2.0023 2.3578 0.7807 0.8233 1.4278 3.2505 0.8359 0.9501 1.9182 2.0215 0.2989 0.8167 0.3771 0.8798 2.3759 2.568 1.9935 1.9829 0.2594 0.2126 0.5396 0.4262 1.9687 2.0663 0.7723 0.7246 0.3349 0.2888 0.3352 0.5185 sphingomyelin (d18:1/14:0, d16:1/16:0)* 1.3128 1.5024 1.1307 1.2585 1.4223 1.4539 1.465 1.4337 0.8648 1.2922 1.1635 1.3352 1.0954 1.0144 1.7911 0.602 1.0734 1.0035 0.554 0.6082 1.5673 1.6494 1.2653 1.8366 0.9808 0.9965 0.4446 0.8306 0.5314 0.9517 0.6613 0.948 1.0739 1.1522 0.9266 0.8582 0.5358 0.5323 0.5911 0.5555 1.1346 1.1665 0.8113 0.8268 0.9292 0.8997 0.9252 0.7957 sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0) 1.6085 1.6926 1.2581 1.5541 0.5234 0.5104 0.5472 0.5499 0.5522 0.7024 0.8665 0.9409 1.0697 0.9409 1.1555 0.9376 1.3483 1.4022 1.293 1.3523 1.6687 1.7735 1.4853 1.7646 1.2108 1.3291 1.1038 1.4522 0.8215 1.4511 1.212 1.447 1.1166 1.14 1.0225 0.9775 0.0538 0.0449 0.0514 0.0506 0.1121 0.1097 0.0839 0.0952 0.2995 0.3138 0.2989 0.2865 sphingomyelin (d18:1/18:1, d18:2/18:0) 1.7283 1.7504 1.399 1.7112 1.2026 1.1647 1.1354 1.1142 0.8879 1.0966 0.956 1.0315 0.6916 0.6421 0.695 0.5894 0.6742 0.7472 1.1343 1.1889 1.2391 1.1634 0.9024 1.2856 0.7388 0.7245 1.1085 0.8324 0.5016 1.1776 1.0596 1.3168 0.8173 0.8554 0.7747 0.7409 0.9063 0.8458 1.0016 0.9984 1.2961 1.224 1.1252 1.2366 0.4034 0.3793 0.3936 0.3774 sphingomyelin (d18:1/19:0, d19:1/18:0)* 5.4929 5.9917 3.5113 5.6925 0.4098 0.5434 0.4717 0.466 0.1958 0.3051 0.3589 0.3573 1.0692 0.8659 1.4884 1.0813 1.071 2.1259 3.9753 4.0705 0.8203 0.8784 0.7323 1.2398 0.9309 0.8791 3.8656 2.8847 0.4946 1.316 0.9182 1.2175 1.3621 1.4787 1.1933 1.0696 0.1958 0.2156 0.2511 0.1958 1.0039 1.0758 0.7913 0.708 0.8783 0.9961 0.7365 1.0092 sphingomyelin (d18:1/20:0, d16:1/22:0)* 2.6442 2.8296 1.7529 2.6862 0.6345 0.6276 0.671 0.6797 0.2809 0.3867 0.4438 0.474 1.02 0.9243 1.3698 0.9498 1.0315 1.7244 1.8734 2.0938 0.626 0.6733 0.7564 0.98 0.9155 0.9572 1.9978 1.8232 0.4887 0.7926 0.6579 0.7704 1.4065 1.4811 1.2565 1.286 0.8343 0.7921 0.8804 0.8713 2.0507 2.1717 1.5058 1.5428 1.5758 1.6493 1.5771 1.6996 sphingomyelin (d18:1/21:0, d17:1/22:0, d16:1/23:0)* 2.1229 2.3046 1.3082 2.4607 0.7277 0.7349 0.8099 0.7829 0.2476 0.4982 0.5494 0.6191 1.5348 1.4393 1.9051 0.6682 1.0241 1.5897 1.5137 1.763 1.3901 1.4895 1.3292 2.2249 0.9844 0.949 1.5548 1.5139 0.3177 1.1736 0.6324 1.1842 1.5017 1.5721 1.2756 1.138 0.152 0.1364 0.2004 0.1831 0.8008 0.8765 0.4009 0.473 0.9215 1.0156 0.9443 0.9369 sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)* 1.9912 1.5487 1.2108 1.9509 1.1424 1.1422 1.4155 1.4137 0.6486 0.9309 0.8842 0.9662 1.1319 1.074 1.3852 0.7958 0.9835 1.086 0.9942 1.0328 0.793 0.8138 1.187 1.9601 0.9116 0.9492 0.9752 1.0058 0.5303 1.0958 0.8436 1.1338 0.7808 0.8196 0.711 0.744 0.6139 0.5534 0.6585 0.6466 1.1019 1.1731 0.7929 0.8038 1.0639 1.1164 1.0435 1.1403 sphingomyelin (d18:1/22:2, d18:2/22:1, d16:1/24:2)* 2.1178 1.9556 1.3415 2.2827 1.2499 0.4419 1.2727 1.3787 0.91 1.0983 1 1.2032 1.0737 1.1537 1.2448 0.5627 0.7434 0.6615 1.0463 1.1868 0.7098 1.0328 1.4367 2.1191 0.7802 0.6796 1.1241 0.5244 0.6507 1.2695 1.0734 1.7116 0.7677 0.6157 0.4571 0.4419 0.6461 0.4419 0.6222 0.7089 0.5146 0.4419 0.4419 0.463 0.7704 0.4419 0.8343 0.7232 sphingomyelin (d18:1/24:1, d18:2/24:0)* 1.3192 1.0803 0.6757 0.9405 0.8848 1.2412 0.9891 0.9414 0.4186 0.729 0.7192 0.7828 1.043 0.9113 1.7981 0.6408 1.0096 1.3505 1.059 1.1371 1.7679 1.7197 1.2516 1.6688 1.0014 0.9631 0.8958 1.2617 0.3411 1.0918 0.6363 0.94 1.2513 1.2548 1.2849 0.7687 0.3487 0.2955 0.4921 0.5399 1.0137 0.9986 0.6263 0.6233 1.3518 1.3751 1.3513 1.1795 sphingomyelin (d18:1/25:0, d19:0/24:1, d20:1/23:0, d19:1/24:0)* 1.4851 1.5954 0.9793 1.3793 0.7155 0.7617 0.8234 0.7453 0.2744 0.4446 0.621 0.6748 2.7606 2.4181 5.6878 0.8176 1.357 1.9152 0.5404 0.557 1.9044 2.1365 1.3992 1.8792 1.5338 1.4909 1.0207 1.4582 0.6284 0.8225 0.5024 0.8568 2.9358 2.9799 2.3438 2.0306 0.2603 0.2143 0.3564 0.3595 0.7958 0.8538 0.5124 0.5051 1.877 1.8897 1.7985 1.5479 sphingomyelin (d18:2/14:0, d18:1/14:1)* 0.8045 0.9982 0.9938 0.9538 1.625 1.6308 1.5946 1.4828 0.7027 1.0904 0.9377 1.2294 0.8455 0.8459 1.3858 0.5388 1.0018 0.7185 0.476 0.5815 3.0425 3.0485 1.3929 3.0464 0.8725 0.8334 0.3623 0.4749 0.4043 1.0767 0.6815 0.9811 0.7383 0.7861 0.674 0.5221 1.3584 1.2384 1.2139 1.0199 2.497 2.8605 1.5313 1.5574 1.1733 1.1167 1.069 0.7325 sphingomyelin (d18:2/16:0, d18:1/16:1)* 1.0157 1.1767 0.7757 1.0144 1.9659 1.9936 1.9248 1.9246 1.0543 1.5427 1.4264 1.6373 1.1362 1.0761 1.4945 0.6267 1.0625 0.8696 0.7895 0.8513 1.9946 2.181 1.5565 2.1831 1.0185 1.0418 0.6106 0.6084 0.6285 1.1119 0.783 1.1756 0.9782 1.0643 0.9856 0.9199 0.4429 0.4333 0.5104 0.5041 0.7597 0.7909 0.6578 0.6753 0.7423 0.7159 0.7291 0.7696 sphingomyelin (d18:2/21:0, d16:2/23:0)* 1.6414 1.523 1.1107 0.1707 0.1707 0.9198 0.7802 0.8242 0.1707 0.1707 0.4974 0.1707 1.1431 0.8484 1.5597 1.085 1.1574 1.3302 1.5189 1.4691 0.8877 0.9436 1.0041 1.9592 1 1.0678 1.3892 1.304 0.2376 1.2269 0.9937 1.3974 0.5904 0.1707 0.5057 0.4763 0.1707 0.1707 0.1707 0.1707 0.1707 0.1707 0.1707 0.1707 0.2517 0.4011 0.4647 0.6872 sphingomyelin (d18:2/23:0, d18:1/23:1, d17:1/24:1)* 1.206 1.3016 0.7133 1.1763 0.9719 0.9654 1.0562 0.9975 0.3841 0.7468 0.6886 0.8039 1.2372 1.0995 2.0124 0.6389 1.1025 1.4 1.0673 1.2023 1.3915 1.5591 1.5614 2.5033 1.0354 1.0972 1.029 1.3616 0.349 1.3499 0.7535 1.2687 1.174 1.2452 0.9557 0.8206 0.2054 0.1607 0.2585 0.2478 0.654 0.733 0.3629 0.3912 0.9314 1.0025 0.9379 0.8641 sphingomyelin (d18:2/23:1)* 1.5455 1.2547 1.0174 1.2049 1.7657 1.6118 1.8596 2.1468 0.9831 1.1551 1.209 1.1132 0.9648 1.083 1.4992 0.7633 1.1695 0.9373 0.7373 1.0169 1.1628 1.8062 1.8755 3.4736 1.1774 1.0802 0.9657 0.8577 0.5419 1.6669 1.2516 1.5158 0.735 0.6613 0.5313 0.4924 0.3468 0.278 0.2218 0.3032 0.2509 0.2576 0.2584 0.2206 0.7604 0.8269 0.78 0.7583 sphingomyelin (d18:2/24:1, d18:1/24:2)* 1.2004 1.2254 0.8904 1.1443 1.5429 1.3859 1.7605 1.7563 0.9339 1.279 1.3109 1.3472 0.9888 1.0112 1.3218 0.8158 1.0744 0.9378 1.1396 0.9841 1.1787 1.2132 1.3808 2.2005 0.9092 0.8976 1.1489 0.8003 0.6764 1.2529 1.0982 1.2437 0.7457 0.8024 0.7496 0.6463 0.8137 0.7299 0.827 0.7865 1.042 1.0827 0.7908 0.7809 0.8625 0.8635 0.854 0.7853 sphingomyelin (d18:2/24:2)* 1.4524 1.4862 1.2073 0.4582 2.0739 2.0019 2.3412 2.2968 1.3968 1.3735 1.9918 1.5929 0.9028 1.2567 1.4912 0.5696 1.1822 0.5946 1.0648 1.3053 1.8236 1.619 2.2269 3.2176 0.9322 0.6319 0.9352 0.4862 0.4582 1.7159 1.1683 1.9451 0.4824 0.5376 0.572 0.4582 0.7058 0.6291 0.6565 0.6573 0.7317 0.6127 0.6653 0.5819 0.6728 0.8682 0.8183 0.7317 sphingosine 0.605 0.6785 0.5707 0.9078 0.9951 0.8201 1.0448 0.9575 0.5776 0.7876 0.8535 0.9194 3.6618 3.3634 2.8661 0.7697 1.213 1.1186 0.7044 0.76 1.5471 1.6941 1.6409 4.2339 1.3987 1.4375 0.6335 1.0179 1.0049 1.2871 0.8612 1.4673 1.5773 1.6476 1.3903 1.2203 0.3189 0.2878 0.3468 0.3442 0.8641 0.8868 0.3968 0.4499 1.2502 1.2908 1.1958 1.2341 stachydrine 1.0612 0.8034 0.3964 0.716 1.0545 1.0538 0.7687 1.0958 1.1378 1.0084 0.7012 0.6326 4.9033 4.6943 7.4792 0.7258 0.7942 0.5289 0.3321 0.352 40.1088 22.9103 21.8697 0.6758 0.3321 0.9113 0.5866 0.3321 0.7797 0.3664 0.3321 1 0.6274 0.65 0.5708 1.2412 1.1614 0.9776 0.4815 1.5294 1.5931 1.9923 1.0354 0.8029 1.7527 2.0521 1.5191 2.0299 stearate (18:0) 1.1044 1.9669 1.379 2.4719 2.2002 0.6953 0.7328 0.7217 0.6725 0.9867 0.8495 0.762 1.1999 1.1805 0.9568 2.1347 0.6306 1.6466 1.0711 1.4503 0.8842 0.9857 0.7446 3.3841 0.9384 1.4661 1.4229 1.1616 0.6848 3.3985 1.074 4.1597 0.4596 1.2925 1.0997 1.1348 0.8646 0.727 0.634 1.0107 0.8151 1.3755 1.2686 0.7253 0.9496 0.9893 0.5271 0.9715 stearoyl ethanolamide 2.5422 2.7547 1.5655 2.7015 1.5346 1.5302 1.4818 1.4219 0.7965 1.2761 1.1923 1.2991 1.4115 1.2965 1.61 0.5311 0.5956 0.8044 0.5892 0.6591 0.8855 1.114 1.1315 2.3041 0.7824 0.7375 0.5824 0.8007 0.3497 0.6149 0.4785 0.7457 0.8436 0.9547 0.8983 0.755 1.4684 0.9088 0.7456 0.648 1.0576 1.0453 0.5941 0.5875 3.0231 2.667 3.1925 2.9388 stearoyl sphingomyelin (d18:1/18:0) 3.2477 3.3149 2.4133 2.8349 1.0119 0.9635 0.9881 1.0622 0.7673 0.8383 0.8755 1.0564 0.7662 0.7777 0.8324 0.7168 0.753 1.0485 1.5173 1.5566 0.8613 0.936 0.9296 1.1943 0.7499 0.7972 1.5615 1.3622 0.5963 1.2058 1.1459 1.3007 1.1113 1.1446 1.0816 1.0697 0.6489 0.6117 0.6841 0.7193 1.4664 1.5558 1.4131 1.3543 0.6796 0.7123 0.7102 0.781 stearoyl-arachidonoyl-glycerol (18:0/20:4) [1]* 1.9824 2.2227 1.3547 1.8985 0.706 0.7724 0.7347 0.7312 0.4823 0.8452 0.6428 0.8154 0.9465 0.3099 2.2305 0.6978 0.5387 1.4216 0.1708 0.1708 1 1.1343 1.8999 0.351 1.3774 1.2518 0.1708 1.2481 0.5548 0.1708 0.2254 0.6519 1.4418 1.1782 1.2381 1.0491 0.1708 0.4466 0.4423 0.1708 1.0353 1.2261 0.815 0.3208 2.0952 1.922 2.1088 1.3588 stearoyl-arachidonoyl-glycerol (18:0/20:4) [2]* 1.8677 1.9776 1.1622 1.6676 0.7443 0.7262 0.6959 0.6718 0.5833 0.9484 0.6656 0.8407 1.2003 0.8757 0.9493 0.5315 1.2469 1.1864 0.8936 0.972 0.8792 1.0297 1.3069 0.7855 1.2396 1.2886 1.1072 1.0582 0.6475 1.1224 0.7571 1.1351 1.1572 1.0954 1.0248 0.9752 0.3533 0.299 0.5207 0.4845 1.1183 1.1767 0.9408 0.9012 1.7064 1.8146 1.7215 1.4008 stearoyl-docosahexaenoyl-glycerol (18:0/22:6) [2]* 1.3411 1.3737 0.7372 1.4674 0.4195 0.4099 0.3982 0.3572 0.3913 0.6302 0.488 0.5903 1.0158 0.7576 1.5631 0.9373 1.0301 1.5318 0.9208 1.0638 0.9348 1.0725 0.9481 1.0096 0.9983 1.0017 1.3225 1.3641 0.5644 1.2985 0.885 1.4934 2.2421 2.058 1.702 1.6301 0.3712 0.3552 0.4342 0.4151 0.9767 1.1 0.9282 0.8971 2.0827 2.0466 2.0092 1.6538 stearoylcarnitine (C18) 5.8418 6.9515 3.0695 5.3897 0.7426 1.1629 0.8064 0.7932 0.8069 1.3248 1.2098 1.1782 15.4591 16.3538 1.3179 0.8349 0.7476 0.8326 1.2201 1.5539 2.167 2.5449 2.2326 7.6357 0.9196 0.9971 1.8978 0.7536 0.793 3.8347 2.3269 6.8252 0.8283 0.8602 1.1231 1.1356 1.0029 0.9532 0.8793 0.8713 0.6124 0.7458 0.4862 0.6022 0.6423 0.6534 0.5891 0.9735 succinate 1.8426 1.6193 1.2313 2.1117 1.3506 1.8165 1.9053 3.0058 0.7576 1.3009 2.3422 3.9009 3.7102 4.6667 0.6913 0.2182 0.2856 0.6768 1.8109 1.6264 0.281 0.5087 0.6017 0.722 0.1889 0.2985 0.3979 0.7145 0.421 0.6196 0.3955 1.0046 0.272 0.2824 0.2862 0.5115 0.5991 0.718 0.8193 0.9954 2.0986 2.4924 1.1164 1.6417 2.4495 3.6261 2.623 5.4223 succinylcarnitine (C4-DC) 1.0357 1.1637 0.7767 0.8868 1.2485 1.3537 1.207 1.2329 0.0949 0.5084 1.0896 1.0061 2.9443 3.2183 0.9939 0.0949 0.403 0.0949 0.3458 0.3134 0.0949 0.0949 0.6339 0.5396 0.0949 0.0949 0.0949 0.0949 0.0949 0.3457 0.1437 0.0949 0.0949 0.0949 0.0949 0.0949 0.2591 0.0949 0.0949 0.0949 0.0949 0.0949 0.0949 0.2626 8.8745 9.6196 7.9211 5.4963 taurine 2.307 2.2861 1.7343 1.7203 1.6304 2.7726 2.6949 2.1773 0.2792 0.3459 1.653 1.2431 35.9025 34.3571 0.6921 0.1288 0.265 0.212 0.1372 0.2449 0.4907 0.5502 0.1415 0.1708 0.3719 0.3593 0.2194 0.4345 0.1105 0.3776 0.336 0.7569 0.3659 0.3853 0.6749 0.6601 10.016 7.6395 5.068 5.4459 4.4062 4.635 4.3873 4.5454 13.6659 15.0335 14.1862 21.1559 taurochenodeoxycholate 0.5907 0.9002 0.7661 1.2209 0.7172 0.4887 0.291 0.4794 0.2366 0.9537 0.259 0.7254 0.2366 0.2366 1.9741 0.8699 1.2911 2.9686 1.6873 2.4967 2.2206 2.7722 0.4919 2.8967 0.2366 0.3639 3.2805 0.2524 0.2366 2.671 1.0463 2.5487 4.0482 4.5992 2.9082 2.4005 0.6909 0.8255 0.8929 0.6479 1.6682 2.334 1.4415 1.3112 0.8955 0.9302 0.8159 1.6497 tetradecadienoate (14:2)* 3.8764 3.9045 3.4243 4.2034 2.0031 1.7866 2.1339 1.7856 0.5308 0.7262 1.1444 1.3122 6.4107 5.4193 0.7925 0.6483 1.1201 1.0842 0.9619 1.0719 0.2887 0.2132 0.7756 2.086 1.2517 1.3192 0.5007 1.1155 0.2682 1.8413 0.9946 2.4986 1.0054 0.9379 1.6001 1.3517 0.822 0.7803 0.5323 0.5206 0.6962 0.7763 0.3328 0.4951 0.1556 0.0496 0.2797 0.2829 thiamin (Vitamin B1) 0.3172 0.4148 0.1927 0.4691 0.8415 1.441 1.2047 1.0736 0.5242 0.9594 1.3043 1.2901 3.1772 3.5672 1.8233 0.3466 0.4735 1.2701 0.8798 1.4383 0.6288 0.7841 0.8712 1.1732 0.7944 0.905 1.6159 1.0787 0.509 0.6773 0.4329 0.8683 0.903 0.9548 0.9109 0.9414 1.0406 0.9258 1.1625 1.2981 2.1273 2.89 1.4465 1.743 2.1094 2.3526 1.8257 2.5301 thioproline 0.7311 0.7716 0.6916 0.5904 0.9783 0.8153 1.0217 1.0416 1.5308 1.7501 1.5684 1.5776 0.9617 0.9337 1.029 0.8045 0.6418 0.7625 2.7016 2.4357 0.7728 0.8755 2.0123 1.9871 0.8349 0.7375 1.0379 0.7662 0.7157 0.9488 0.6753 0.7984 0.5164 0.548 0.5766 0.505 3.8049 3.1638 3.9157 4.4312 5.1575 5.246 6.091 5.5817 5.9196 6.1275 5.7697 8.3069 threonate 0.4478 0.1536 0.9299 0.8477 0.4837 2.6963 1.3015 1.4045 0.1536 0.1536 1.6799 0.6398 11.2554 20.3214 0.1536 0.1536 0.1536 0.3259 0.1536 0.1536 0.1536 0.353 0.1536 0.4887 0.6138 0.5333 0.3527 0.1536 0.1536 0.5716 1.1897 1.6346 1 1.3724 2.1094 1.9235 0.5687 0.7889 0.1536 0.6021 1.2632 1.3913 0.6487 1.0843 1.6091 2.6481 2.4772 0.1536 threonine 0.7413 0.8287 0.5456 0.6934 1.0237 0.9882 1.0105 0.8579 0.8804 1.2782 1.1727 1.0863 4.0475 3.7898 3.479 0.5742 0.9408 1.4971 0.5377 0.9225 1.2388 1.3588 0.9669 2.2138 1.0626 0.9895 0.8249 1.2612 0.5124 1.1279 1.0904 1.7008 1.4474 1.2679 1.3511 1.1604 0.2407 0.209 0.3951 0.3681 0.8007 0.6985 0.4258 0.4225 1.3864 1.3381 1.3693 0.9583 threonylphenylalanine 0.2507 0.4637 0.4219 0.6631 0.3708 0.3888 0.2427 0.4732 0.6308 1.4758 0.2302 0.5644 0.1814 0.1819 1 6.9841 5.5573 2.4484 26.4797 6.1565 2.6178 3.0661 5.1112 0.8836 4.5552 6.1746 1.846 1.9879 4.2049 3.4487 1.0941 0.6102 2.2475 3.1696 2.2318 2.6214 0.1758 0.1758 0.19 0.1758 0.1758 0.1786 0.525 0.4859 0.1758 0.1758 0.1758 0.1758 thymidine 2.9456 2.395 2.5932 4.8461 3.0459 5.7457 3.4642 1.5875 1.2454 1.6644 2.8281 3.0379 5.3868 1.5563 0.5239 0.1338 0.1338 0.2281 2.4474 0.9543 0.1338 0.1338 0.1338 0.5795 0.1338 0.1338 0.1338 0.1338 0.1821 0.1338 0.1338 0.1338 0.2278 0.2508 0.25 0.1811 0.1338 0.1338 0.3157 0.2595 3.8996 3.8127 0.7278 0.9196 0.4263 0.371 0.4213 1 tiglyl carnitine (C5) 0.3695 0.8944 0.3046 0.6147 0.8559 0.7271 0.6028 0.4366 0.3046 0.3924 1.4383 0.681 13.1379 12.7665 2.7971 1.3708 1.3868 1.8584 1.2395 1.4355 0.3271 0.9349 1.4536 1.0096 1.1936 1.338 0.8616 3.016 0.3456 1.3588 0.9904 2.1295 0.8186 0.67 0.5757 0.4865 0.3046 0.3046 0.3404 0.3046 0.3046 0.3046 0.3046 0.3046 24.0631 24.2035 22.0626 36.31 hydroxyproline 4.1784 4.3771 2.3641 3.3345 0.8996 1.5999 1.1626 1.0134 0.5345 0.75 1.9252 1.5003 9.9364 11.6593 0.9832 0.3147 1.0106 0.9456 0.2796 0.5421 0.7373 0.9579 0.4587 1.4985 0.8056 0.8676 0.2793 0.8576 0.3399 0.6849 0.5741 1.3737 1.5056 1.6116 1.824 2.0175 1.0425 0.9106 0.9894 1.0878 0.5882 0.7103 0.6417 0.7017 1.9128 2.1498 1.6384 2.8123 tricosanoyl sphingomyelin (d18:1/23:0)* 1.3703 1.4483 0.7873 1.1446 0.8746 0.8118 0.7943 0.7647 0.2484 0.5516 0.6258 0.8647 1.9117 1.3264 1.7349 0.3888 1.0639 1.1371 0.6848 0.7258 1.5169 1.9611 1.1705 1.9791 0.9258 1.1927 0.9699 1.0301 0.3764 0.9024 0.592 0.934 1.4996 1.4902 1.4835 1.1986 0.3939 0.2539 0.4518 0.5984 1.2319 1.3742 0.8149 0.6688 1.8237 1.8476 1.8205 1.4535 trigonelline (N'-methylnicotinate) 0.5 0.7013 0.5512 0.9654 0.6903 0.9615 0.967 0.7861 0.431 0.5806 1.2907 1.0192 3.003 2.711 2.3103 0.7098 1.0463 0.9808 0.7873 0.4989 4.5975 3.0637 3.9026 0.9076 0.554 0.5488 0.6969 1.1655 0.431 0.8477 0.9548 0.431 0.8649 0.7541 1.0489 0.955 2.5335 2.0061 1.8572 1.8243 2.7762 2.8683 2.3846 2.4874 4.6042 5.0421 4.4952 4.9798 tryptophan 1.2228 1.3474 0.8234 0.9875 1.8114 1.7726 1.931 1.7791 1.0866 1.6413 1.8113 1.9059 4.1077 4.0563 2.1284 0.4262 0.7096 1.0213 1.1887 1.4665 1.0467 1.1456 1.1898 2.3849 0.9068 0.8235 0.8312 1.014 0.4804 0.7945 0.6923 1.3641 1.0894 0.9982 1.0018 0.9377 0.0078 0.0099 0.0231 0.0129 0.8633 0.7134 0.4978 0.5526 0.6641 0.5935 0.6741 0.5497 tryptophylglycine 0.1004 0.2818 0.1004 0.1004 0.1004 0.1004 0.1004 0.1004 0.533 0.8387 0.1004 0.7215 0.1004 0.1913 1.8605 0.7502 0.9804 1.1912 2.7069 2.9204 1.9362 2.2972 3.2927 1.9447 2.0581 1.8647 1.5341 1.0196 0.9133 0.9424 0.8164 0.8776 1.2676 1.2842 1.4114 1.2111 0.1004 0.1004 0.1004 0.1004 0.3577 0.2384 0.2905 0.4066 1.0569 1.5061 0.9185 0.3162 tyrosine 0.5754 0.6505 0.5223 0.578 0.8848 0.8597 0.8913 0.7512 0.7899 1.1366 0.8145 1.0014 2.415 2.1421 2.716 0.8612 1.0047 1.4201 0.6723 1.1095 1.1614 1.2475 0.9986 1.9257 1.3039 1.1815 0.8771 1.3365 0.5822 1.3967 1.0989 1.4962 1.3817 1.2892 1.323 1.1395 0.215 0.1767 0.3623 0.3114 0.8042 0.732 0.3856 0.4345 1.0976 1.1974 1.1873 0.8829 tyrosylglycine 0.1299 0.3298 0.16 0.2031 0.1599 0.0946 0.0865 0.1386 0.649 1.1496 0.1582 0.3759 0.1949 0.2261 4.758 2.3554 3.4373 4.4119 2.6949 3.1038 3.0293 3.5149 3.361 1.8138 3.467 3.4337 2.5866 3.1619 2.033 2.5054 1.9343 1.612 3.5267 3.255 3.1041 2.865 0.1428 0.2052 0.3819 0.342 0.3854 0.3259 0.3685 0.4754 0.7954 1.1562 0.8504 0.3198 UDP-galactose 1.1782 1.0908 0.303 0.9974 1.0127 3.2637 1.5438 1.3212 1.536 1.2205 2.4566 2.8271 3.3572 7.0595 0.4063 0.1451 0.1451 0.1451 0.399 0.3475 0.4433 0.5503 0.5279 2.3849 1.8136 2.1095 0.1451 0.5552 1.0089 1.0026 0.8423 1.8894 0.4905 0.7036 0.8256 1.0242 0.1451 0.1451 0.1451 0.1451 0.1451 0.1596 0.1451 0.1451 0.7119 0.8224 0.5589 0.8873 UDP-glucose 0.5494 0.52 0.119 0.3207 0.9071 4.1137 1.8718 3.3852 1.1069 0.5081 2.8358 5.8204 17.0969 27.4229 0.5348 0.119 0.119 0.119 0.6871 0.5357 0.5662 0.5912 0.2009 1.1574 2.7295 3.5265 0.119 0.2574 1.3859 0.8089 1 2.5735 0.6539 0.6901 1.4028 1.4242 0.119 0.119 0.119 0.119 0.2633 0.278 0.119 0.1618 1.2147 2.0197 1.3123 1.3 UDP-glucuronate 1.0848 0.8121 1.6175 1.9446 7.7401 7.1259 8.1843 7.7863 0.868 0.5121 8.5427 7.3489 25.4913 24.6362 0.0958 0.0945 0.1102 0.0945 0.3955 0.5575 0.8522 0.9748 0.1927 1.3666 2.4149 3.5031 0.0945 0.0945 1.4087 0.5087 0.5045 2.1577 0.7106 1 1.4526 1.5701 0.6211 0.5192 0.567 1.0805 1.3071 1.0262 0.5086 0.7419 0.7963 0.9461 0.9445 1.4065 UDP-N-acetylglucosamine/galactosamine 1.6105 1.0193 1.6922 1.3244 21.0099 14.5775 33.6453 26.9353 0.3546 0.2902 13.4317 10.5739 102.1839 99.9133 0.7675 0.1409 0.268 0.2598 0.5122 0.4539 0.9087 0.9807 0.2647 0.5832 0.6082 0.8506 0.081 0.2482 0.449 0.2459 0.1207 0.4008 0.4035 0.478 0.4864 0.5435 5.7897 4.2909 3.438 4.8782 2.3711 1.4808 1.5685 2.2991 6.878 7.5249 7.4855 7.396 uracil 10.8544 10.5622 2.9362 8.1388 0.9269 2.1498 0.8618 0.2336 1.789 4.2871 0.3648 0.3605 7.6205 2.8524 8.1825 0.3854 5.1367 2.8849 0.2187 0.4503 1.4208 2.2909 5.003 10.4663 5.6031 4.8938 0.4904 0.7627 0.9563 0.6523 0.4277 1.0965 1.2503 1.2698 0.9606 0.9546 0.1249 0.1118 0.1771 0.2021 0.9011 1.0394 0.0758 0.0753 0.9358 0.8993 1.1549 1.2916 urate 0.8196 0.9404 0.7482 0.6073 0.4201 0.864 0.8865 0.9443 0.4201 0.4201 0.7268 0.9263 8.1749 7.4708 2.0117 0.814 0.4201 0.7029 0.4201 0.4201 0.4201 0.4201 0.4201 0.4201 0.4201 0.4201 0.4584 0.7062 0.4201 0.5068 0.4201 0.4201 1.0003 0.8604 1.0718 0.9997 4.2068 3.6606 3.3053 3.6706 2.9742 3.2336 1.5523 1.7833 47.2625 46.4247 47.1098 46.828 uridine 1.0363 1.0254 0.8508 0.9541 1.6506 2.2002 1.8755 1.2944 1.333 1.5012 1.7978 1.5766 2.9658 1.9595 1.3698 0.4815 1.0326 0.992 0.6946 0.998 0.6768 0.7406 0.9144 1.5686 1.0267 1.0919 0.4719 1.1474 1.002 1.5574 1.3434 2.1676 0.755 0.7049 0.8132 0.693 0.351 0.2626 0.5082 0.5597 1.7143 1.6062 0.5261 0.6083 0.7534 0.6806 0.7535 0.9516 uridine 3'-monophosphate (3'-UMP) 0.6707 0.2364 0.5573 0.0816 1.2223 0.1846 0.796 0.9193 1.3 0.9737 1.6485 2.2046 0.0696 0.1592 0.1823 2.2269 0.2195 0.2902 8.616 7.8911 1.0554 0.7403 1.0895 1.9242 0.8264 0.7414 0.2284 0.4009 0.7533 0.23 0.5771 0.4425 2.0393 2.2713 2.0953 1.9154 4.7893 2.3656 1.0263 1.2542 9.88 0.4219 0.3491 2.4298 3.2635 2.6174 2.6009 1.825 uridine 5'-diphosphate (UDP) 0.8789 0.5468 0.4999 0.8332 3.5264 1.8127 3.5703 4.4782 0.1531 0.2593 2.7787 3.3627 5.642 4.2758 0.1531 0.275 0.1531 0.1531 0.1985 0.2596 0.2466 0.3896 0.2048 0.9458 1.3026 1.9202 0.1531 0.1813 1.186 0.2672 0.2938 0.6344 0.537 1.2847 0.9668 1.4311 1.865 1.5293 1.0421 1.1554 1.0332 0.8641 0.5371 0.5881 1.5432 1.3605 1.5588 1.3716 UMP 0.8641 0.7636 0.612 1 5.7085 4.6878 11.8068 39.9657 0.434 0.4044 5.6746 11.9836 59.8936 219.3781 0.7055 0.2089 0.2104 0.2089 0.427 0.609 0.4141 0.3012 0.2569 1.1115 0.9396 1.4134 0.2089 0.2675 0.367 0.6131 0.2089 0.9549 0.3358 0.5179 0.4538 0.6316 12.98 13.0757 14.4296 13.1143 1.5178 1.0181 17.6693 16.7557 20.791 23.7958 20.0527 56.0123 uridine 5'-triphosphate (UTP) 1.1292 0.8767 0.6669 1.3276 3.0573 3.1265 3.3255 3.2281 0.1858 0.6638 3.0185 3.7838 1.1233 0.8143 0.1858 0.1858 0.1858 0.1858 0.1858 0.1858 0.1858 0.1858 0.1858 0.1858 0.1858 0.1858 0.1858 0.1858 0.3046 0.1858 0.1858 0.1858 0.1858 0.2836 0.1858 0.1858 0.1858 0.1858 0.1858 0.1858 0.4335 0.4477 0.1858 0.1858 0.1858 0.1858 0.1858 0.1858 valine 0.6392 0.7253 0.467 0.5955 0.7951 0.717 0.8091 0.7467 0.7475 1.1443 0.8023 0.8256 1.7157 1.6196 2.5489 0.7676 1.1434 1.7365 0.6096 0.9648 1.2949 1.4655 1.1724 1.7182 1.2955 1.1689 1.0831 1.2607 0.6766 1.1497 1.0352 1.3963 1.5665 1.3238 1.3601 1.1425 0.2297 0.2097 0.3542 0.3301 0.6723 0.6042 0.4117 0.3873 1.1985 1.1748 1.2097 0.8366 valylglutamine 0.1812 0.481 0.3116 0.5504 0.4107 0.3671 0.2828 0.3625 1.224 2.0961 0.2844 0.5601 0.2636 0.3295 1 5.0976 6.579 4.0139 9.2299 3.3019 4.2897 5.3219 9.7749 1.2046 7.3782 8.1681 2.7535 2.7499 5.0261 4.4392 1.4616 0.799 4.4177 5.3903 3.3825 4.3021 0.0667 0.0667 0.0903 0.0667 0.0667 0.1057 0.2045 0.1837 0.1924 0.2232 0.1596 0.1101 valylglycine 0.1794 0.4974 0.384 0.6417 0.3651 0.393 0.2474 0.5106 1.0445 1.6728 0.3336 0.9858 0.1537 0.3322 1.6247 4.081 5.1109 4.8226 5.2472 4.3296 5.0604 5.134 5.2539 0.9199 6.1135 6.1566 3.9203 3.5059 3.7029 3.2633 2.1188 1 5.2076 4.974 4.6871 4.4587 0.0413 0.0413 0.0413 0.0652 0.0413 0.0418 0.1569 0.2541 0.1383 0.165 0.1061 0.0833 xanthine 0.675 0.5899 0.5915 0.6377 0.8629 1.0481 0.8547 0.6256 0.24 0.3657 0.5427 0.6984 21.6072 12.5089 2.9689 0.344 0.5181 0.4689 0.2027 0.3408 1.2895 1.4549 0.5203 0.7892 1.1713 1.2067 0.4227 0.9519 0.337 0.4512 0.5633 0.8743 1.6526 1.4203 1.8403 1.6104 10.6093 5.9333 15.8964 13.7072 61.2721 52.2337 14.9566 11.6001 66.9884 61.9279 68.1599 73.1374 xanthosine 2.1723 0.7573 3.8342 14.6463 0.5247 0.5247 0.5247 0.5247 0.5247 0.5247 0.5247 0.5247 3.2172 2.2482 0.5247 0.5247 0.5247 0.5247 0.5247 0.5247 0.5247 0.5247 0.5247 1.0526 0.6547 0.6185 0.5247 0.5247 0.5247 0.5247 0.5247 0.5247 0.5247 0.5247 0.5247 0.5247 0.5247 0.5247 0.5247 0.5247 0.9474 0.7941 0.5247 0.5247 0.5247 0.5247 0.5247 0.5247 ximenoylcarnitine (C26:1)* 2.7646 3.5845 0.9286 1.3665 0.6396 0.6396 0.6396 0.6396 0.6396 0.6396 0.6396 0.6396 1.186 0.8771 1.5602 0.6863 0.6396 0.6396 0.6396 0.6396 0.6396 0.6396 0.6486 1.2292 0.6396 0.6396 0.8435 0.6396 0.6396 1.2495 0.8129 1.4177 0.6396 0.6396 0.6396 0.6396 0.9029 0.8591 1.0714 0.6396 0.6396 0.6396 0.6396 0.6396 0.6396 0.6396 0.6396 0.6396 X - 11580 1.6986 2.7765 1.6335 2.7996 0.5231 0.5231 0.5231 0.5231 0.5231 0.5231 0.5231 0.5231 0.5231 0.5231 1.6812 0.5231 0.9327 0.5231 0.5231 0.5231 0.5231 0.5231 0.5231 0.5231 0.775 0.952 0.5231 1.1269 0.5231 0.6732 0.5231 0.7718 0.5231 0.5231 0.5231 0.5231 0.5231 0.5231 0.5231 0.5231 0.8382 0.5231 1 1.0418 0.5231 0.5231 0.5231 0.5231 X - 11677 0.1422 0.1422 0.1422 0.1422 7.0807 4.4927 8.6568 9.0012 1.3715 1.9555 5.5124 6.9824 3.2826 3.3717 1.5132 0.2232 0.3638 0.6426 0.1422 0.5648 1 1.3246 0.6599 0.7488 0.3988 0.3167 0.1973 0.4201 0.1422 0.2567 0.1939 0.4699 0.3859 0.5044 0.3314 0.3584 0.5747 0.7216 0.878 1.0718 4.344 3.3929 1.3068 2.6523 1.8445 2.0011 1.5648 1.8512 X - 11787 1.3971 1.7047 0.8708 1.225 0.8817 2.3329 1.1036 1 1.3016 1.1096 1.5442 1.3152 5.3707 6.172 1.6276 0.3853 0.8837 0.9582 0.2452 0.4016 1.5659 1.1442 1.084 1.456 0.3853 0.7033 0.7399 1.2139 0.4449 0.7785 0.6933 0.9799 1.9699 1.7958 1.5778 1.6701 0.9491 0.6546 1.0308 0.9313 0.8478 0.7056 0.6588 0.3456 0.428 0.2452 0.3874 1.0666 X - 12100 0.8321 0.9979 0.5689 0.8958 1.471 1.2003 1.048 0.9092 1.0021 1.2404 0.9952 1.2135 3.1298 3.5658 1.4768 0.2705 0.4084 0.8269 0.2705 0.6117 0.7894 1.0687 0.8276 2.8575 0.6168 0.8169 0.4932 0.6884 0.2705 0.4926 0.4557 0.838 0.9337 0.995 0.876 0.8064 1.6787 1.4639 1.1235 1.1216 6.2543 7.5789 7.079 7.5831 11.0389 11.8622 9.9937 14.6541 X - 12462 0.7269 1.0235 0.4087 0.7943 0.9307 1.3765 1.3322 1 1.1797 1.5056 1.9548 1.7395 1.6326 2.0284 0.8733 0.0629 0.1166 0.2544 0.3263 0.5884 0.493 0.6341 1.3343 3.0022 0.3542 0.3838 0.2915 0.2459 0.144 0.3597 0.2193 0.4627 0.0956 0.0629 0.1752 0.1667 1.6412 1.5872 2.392 2.9188 8.3653 9.0157 5.7074 5.4303 6.3678 6.9923 4.6083 8.2131 X - 13504 1.318 1.5339 0.7594 0.6977 0.3447 0.6123 0.9677 0.6935 0.1849 0.1849 0.6661 0.5173 4.6245 6.4217 0.4652 0.1849 0.6221 0.4367 0.1849 0.1849 1.2561 1.6296 0.3024 0.1849 0.5439 0.3984 0.1849 0.2967 0.1849 0.6678 0.1849 1.0192 0.9222 0.9808 0.8307 1.1338 2.1356 2.239 2.5585 3.3052 3.0049 4.4211 3.9061 4.4377 1.9017 2.1539 1.5751 2.2448 X - 14056 0.7385 0.953 0.6487 0.8481 1.4753 1.3304 1.8475 2.7596 1.8164 2.6146 2.1917 2.7824 1.7192 2.1883 0.5846 0.132 0.1746 0.2208 0.3705 1.047 0.2036 0.2822 0.8483 2.5896 0.2467 0.2542 0.2402 0.1845 0.2815 0.5292 0.3322 0.6732 0.2482 0.2476 0.3706 0.4007 3.4301 1.959 3.2572 3.1265 5.5203 11.1585 5.0209 4.2461 15.1165 13.7604 14.4199 14.6252 X - 15161 1.1714 1.8088 0.8567 2.0821 0.5185 1.1719 0.903 0.9399 1.4721 4.9621 2.0965 2.0645 6.1974 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0.9956 0.2614 0.2472 0.2472 1 0.7627 0.2472 0.2472 0.2472 0.2472 0.4942 0.2472 1.0877 0.8468 0.739 0.8865 1.993 2.5785 0.5643 0.8178 0.2648 0.2472 0.3249 0.2472 X - 25076 0.128 0.128 0.128 0.128 0.2695 0.128 0.2193 0.3591 0.2222 0.574 0.2909 0.5265 0.4309 0.5143 1.0385 1.1197 1.9979 1.389 13.9948 12.9547 0.8968 0.9812 2.6356 1.7141 2.1627 2.0796 1.3283 1.0188 1.0205 0.7333 0.6289 0.6195 1.1479 1.119 1.1722 1.0248 0.128 0.128 0.128 0.128 0.128 0.128 0.128 0.128 0.1354 0.1466 0.128 0.128 X - 25102 0.4893 0.3634 0.1282 0.1498 1.148 2.2289 1.818 0.6257 0.822 1.0929 1.8554 1 4.7128 3.6343 1.0998 0.1282 0.1282 0.1282 0.1282 0.1282 0.1282 0.1282 0.1282 1.2783 0.1282 0.1282 0.1282 0.1282 0.1282 0.1282 0.1282 0.6112 0.1282 0.1282 0.1282 0.1282 0.1282 0.1282 0.1282 0.1282 0.2194 0.3339 0.1282 0.1282 0.1282 0.1282 0.1282 0.1282 X - 25109 0.8945 0.4217 0.1984 0.2558 4.59 5.4661 6.6433 4.4223 1.8862 2.3893 9.7247 7.3354 6.5561 4.4042 1.8239 0.1767 0.2527 0.3408 0.285 1.2149 0.5924 0.6161 0.6038 3.9595 0.5035 0.3952 0.1387 0.3237 0.2127 0.4534 0.5368 1.6374 0.5306 0.4524 0.6326 0.5307 1.6044 0.7703 1.3223 1.6968 18.0622 19.6396 2.6188 3.5577 1.027 1.0063 0.9937 1.247 X - 25180 4.6343 3.6155 1.7866 1.1467 9.0735 5.4162 6.0245 3.0575 4.5963 4.9087 5.3601 13.4964 5.3128 0.3394 4.5229 0.3394 0.4365 0.7392 0.3394 0.8619 0.9974 1.3387 0.8547 13.7524 0.9374 0.8344 0.3761 0.6885 0.718 1 1.9959 5.23 0.391 0.417 0.8453 1.1209 1.0942 0.3394 0.423 0.5355 0.8586 2.5122 0.3754 0.3394 0.526 0.3394 0.5633 0.4747 X - 25855 0.6627 0.9372 0.7761 0.9106 2.3147 2.8531 2.5465 2.2689 1.1543 1.2683 1.9975 2.0179 15.2668 14.2282 2.7718 0.789 0.897 0.4098 0.6216 0.8333 0.4622 0.4766 1.2745 2.0676 2.0892 2.1449 0.6372 0.7256 0.394 1.6567 1.2153 2.4401 0.5324 0.5834 1.0372 1 0.1942 0.1579 0.1579 0.2997 0.5409 0.3732 0.2802 0.3389 2.1406 2.5954 2.0194 4.9784 X - 25856 1.1575 0.9488 0.5627 0.758 0.5332 1.0638 0.9785 0.6712 0.1611 0.2343 0.9373 0.7696 9.3477 7.6425 0.8317 0.2018 0.9713 0.8399 0.1611 0.1611 1.3164 1.66 0.2946 0.6079 0.5282 0.5621 0.1611 0.3511 0.1611 0.6382 0.5532 1.0215 1.5479 1.6445 1.5603 1.7828 1.2426 0.9681 1.3338 1.7011 1.1454 1.3554 1.17 1.2741 1.577 1.8287 1.5363 2.768 X - 25936 0.6602 0.4054 0.3797 0.3847 1.6221 2.2665 2.4773 1.809 0.3184 0.3956 2.1119 1.5457 7.4511 7.6999 1.1275 0.3451 1.2904 0.954 0.4765 0.4084 0.9307 1.0626 0.5465 0.7442 0.9368 0.9586 0.3229 0.5663 0.4293 0.8761 0.8232 1.3431 1.0971 1.0855 1.3145 1.3052 0.5759 0.5519 0.7408 0.9348 1.2587 1.5199 1.0414 1.1402 1.3396 1.5128 1.3585 2.2118 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name (14 or 15)-methylpalmitate (a17:0 or i17:0) (16 or 17)-methylstearate (a19:0 or i19:0) (R)-3-hydroxybutyrylcarnitine (S)-3-hydroxybutyrylcarnitine 1,2-dilinoleoyl-GPC (18:2/18:2) 1,2-dilinoleoyl-GPE (18:2/18:2)* 1,2-dioleoyl-GPC (18:1/18:1) 1,2-dioleoyl-GPE (18:1/18:1) 1,2-dioleoyl-GPI (18:1/18:1) 1,2-dipalmitoleoyl-GPE (16:1/16:1)* 1,2-dipalmitoyl-GPC (16:0/16:0) 1,2-dipalmitoyl-GPE (16:0/16:0)* 1,2-dipalmitoyl-GPG (16:0/16:0) 1,2-dipalmitoyl-GPI (16:0/16:0)* 1,2-distearoyl-GPG (18:0/18:0) 1-(1-enyl-oleoyl)-2-oleoyl-GPE (P-18:1/18:1)* 1-(1-enyl-oleoyl)-GPE (P-18:1)* 1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20:4)* 1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20:4)* 1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2)* 1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)* 1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)* 1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)* 1-(1-enyl-palmitoyl)-2-palmitoleoyl-GPC (P-16:0/16:1)* 1-(1-enyl-palmitoyl)-2-palmitoyl-GPC (P-16:0/16:0)* 1-(1-enyl-palmitoyl)-GPC (P-16:0)* 1-(1-enyl-palmitoyl)-GPE (P-16:0)* 1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:4)* 1-(1-enyl-stearoyl)-2-linoleoyl-GPE (P-18:0/18:2)* 1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1) 1-(1-enyl-stearoyl)-GPE (P-18:0)* 1-arachidonoyl-GPE (20:4n6)* 1-arachidonoyl-GPI* (20:4)* 1-arachidonylglycerol (20:4) 1-carboxyethylisoleucine 1-carboxyethylleucine 1-carboxyethylphenylalanine 1-carboxyethyltyrosine 1-carboxyethylvaline 1-dihomo-linolenylglycerol (20:3) 1-docosahexaenoylglycerol (22:6) 1-heptadecenoylglycerol (17:1)* 1-lignoceroyl-GPC (24:0) 1-linoleoyl-GPC (18:2) 1-linoleoyl-GPE (18:2)* 1-linoleoyl-GPI* (18:2)* 1-linoleoylglycerol (18:2) 1-margaroylglycerol (17:0) 1-meadoylglycerol (20:3n9)* 1-methyl-4-imidazoleacetate 1-methyl-5-imidazoleacetate 1-methylhistidine 1-methylnicotinamide 1-myristoyl-2-arachidonoyl-GPC (14:0/20:4)* 1-myristoyl-2-palmitoyl-GPC (14:0/16:0) 1-myristoylglycerol (14:0) 1-oleoyl-2-arachidonoyl-GPE (18:1/20:4)* 1-oleoyl-2-arachidonoyl-GPI (18:1/20:4)* 1-oleoyl-2-docosahexaenoyl-GPC (18:1/22:6)* 1-oleoyl-2-docosahexaenoyl-GPE (18:1/22:6)* 1-oleoyl-2-linoleoyl-GPC (18:1/18:2)* 1-oleoyl-2-linoleoyl-GPE (18:1/18:2)* 1-oleoyl-GPC (18:1) 1-oleoyl-GPE (18:1) 1-oleoyl-GPG (18:1)* 1-oleoyl-GPI (18:1) 1-oleoyl-GPS (18:1) 1-oleoylglycerol (18:1) 1-palmitoleoyl-2-linoleoyl-GPC (16:1/18:2)* 1-palmitoleoyl-2-oleoyl-GPC (16:1/18:1)* 1-palmitoleoyl-2-oleoyl-GPE (16:1/18:1)* 1-palmitoleoyl-GPC* (16:1)* 1-palmitoleoylglycerol (16:1)* 1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6) 1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)* 1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)* 1-palmitoyl-2-dihomo-linolenoyl-GPC (16:0/20:3n3 or 6)* 1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6) 1-palmitoyl-2-docosahexaenoyl-GPE (16:0/22:6)* 1-palmitoyl-2-gamma-linolenoyl-GPC (16:0/18:3n6)* 1-palmitoyl-2-linoleoyl-GPC (16:0/18:2) 1-palmitoyl-2-linoleoyl-GPE (16:0/18:2) 1-palmitoyl-2-oleoyl-GPC (16:0/18:1) 1-palmitoyl-2-oleoyl-GPE (16:0/18:1) 1-palmitoyl-2-oleoyl-GPG (16:0/18:1) 1-palmitoyl-2-oleoyl-GPI (16:0/18:1)* 1-palmitoyl-2-oleoyl-GPS (16:0/18:1) 1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)* 1-palmitoyl-2-stearoyl-GPC (16:0/18:0) 1-palmitoyl-2-stearoyl-GPE (16:0/18:0)* 1-palmitoyl-GPC (16:0) 1-palmitoyl-GPE (16:0) 1-palmitoyl-GPG (16:0)* 1-palmitoyl-GPI* (16:0) 1-palmitoyl-GPS (16:0)* 1-palmitoylglycerol (16:0) 1-ribosyl-imidazoleacetate* 1-stearoyl-2-arachidonoyl-GPC (18:0/20:4) 1-stearoyl-2-arachidonoyl-GPE (18:0/20:4) 1-stearoyl-2-arachidonoyl-GPI (18:0/20:4) 1-stearoyl-2-arachidonoyl-GPS (18:0/20:4) 1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6) 1-stearoyl-2-docosahexaenoyl-GPE (18:0/22:6)* 1-stearoyl-2-linoleoyl-GPC (18:0/18:2)* 1-stearoyl-2-linoleoyl-GPI (18:0/18:2) 1-stearoyl-2-oleoyl-GPC (18:0/18:1) 1-stearoyl-2-oleoyl-GPE (18:0/18:1) 1-stearoyl-2-oleoyl-GPG (18:0/18:1) 1-stearoyl-2-oleoyl-GPI (18:0/18:1)* 1-stearoyl-2-oleoyl-GPS (18:0/18:1) 1-stearoyl-GPC (18:0) 1-stearoyl-GPE (18:0) 1-stearoyl-GPG (18:0) 1-stearoyl-GPI (18:0) 1-stearoyl-GPS (18:0)* 10-heptadecenoate (17:1n7) 10-nonadecenoate (19:1n9) 12-HHTrE 13-HODE + 9-HODE 15-HETE 2'-deoxyadenosine 5'-monophosphate 2'-deoxycytidine 2'-deoxyguanosine 2'-deoxyinosine 2'-deoxyuridine 2'-O-methylcytidine 2,4-di-tert-butylphenol 2,4-dihydroxybutyrate 2-aminoadipate 2-arachidonoylglycerol (20:4) 2-docosahexaenoylglycerol (22:6)* 2-heptadecenoylglycerol (17:1)* 2-hydroxyadipate 2-hydroxyglutarate 2-hydroxypalmitate 2-hydroxystearate 2-linoleoylglycerol (18:2) 2-methylbutyrylcarnitine (C5) 2-methylcitrate/homocitrate 2-myristoylglycerol (14:0) 2-O-methylascorbic acid 2-oleoylglycerol (18:1) 2-oxoarginine* 2-palmitoleoyl-GPC* (16:1)* 2-palmitoleoylglycerol (16:1)* 2-palmitoyl-GPC* (16:0)* 2-palmitoylglycerol (16:0) 2-phosphoglycerate 2-stearoyl-GPE (18:0)* 2R,3R-dihydroxybutyrate 2S,3R-dihydroxybutyrate 3-(4-hydroxyphenyl)lactate (HPLA) 3-amino-2-piperidone 3-formylindole 3-hydroxy-3-methylglutarate 3-hydroxyisobutyrate 3-hydroxylaurate 3-hydroxyoleate* 3-hydroxyoleoylcarnitine 3-hydroxypalmitoylcarnitine 3-methyl-2-oxobutyrate 3-methyl-2-oxovalerate 3-methylcytidine 3-methylglutaconate 3-methylhistidine 3-phosphoglycerate 3-sulfo-L-alanine 3-ureidopropionate 4-acetamidobutanoate 4-cholesten-3-one 4-guanidinobutanoate 4-hydroxy-nonenal-glutathione 4-hydroxyglutamate 4-hydroxyphenylpyruvate 4-imidazoleacetate 4-methyl-2-oxopentanoate 5-(galactosylhydroxy)-L-lysine 5-aminovalerate 5-hydroxylysine 5-methylthioadenosine (MTA) 5-methyluridine (ribothymidine) 5-oxoproline 7-HOCA 7-hydroxycholesterol (alpha or beta) 7-methylguanine acetylcarnitine (C2) acetylphosphate aconitate [cis or trans] adenine adenosine 2'-AMP adenosine 3',5'-cyclic monophosphate (cAMP) 3'-AMP adenosine 5'-diphosphoribose (ADP-ribose) AMP adrenate (22:4n6) alanine alanylleucine allantoin alpha-hydroxyisovalerate alpha-ketoglutarate alpha-tocopherol arabitol/xylitol arabonate/xylonate arachidate (20:0) arachidonate (20:4n6) arachidonoylcarnitine (C20:4) arachidoylcarnitine (C20)* argininate* arginine argininosuccinate asparagine aspartate behenoyl dihydrosphingomyelin (d18:0/22:0)* behenoyl sphingomyelin (d18:1/22:0)* beta-alanine beta-citrylglutamate beta-guanidinopropanoate beta-hydroxyisovalerate beta-hydroxyisovaleroylcarnitine betaine bilirubin butyrylcarnitine (C4) C-glycosyltryptophan carnitine carnosine ceramide (d16:1/24:1, d18:1/22:1)* ceramide (d18:1/14:0, d16:1/16:0)* ceramide (d18:1/17:0, d17:1/18:0)* ceramide (d18:2/24:1, d18:1/24:2)* cholesterol choline phosphocholine citrate citrulline CoA-glutathione* CoA creatine creatine phosphate creatinine cyclic dGSH cystathionine cysteine cysteine sulfinic acid cysteine-glutathione disulfide cystine cytidine CMP cytidine 5'-monophospho-N-acetylneuraminic acid CDP-ethanolamine cytosine deoxycarnitine diacetylspermidine* diacylglycerol (12:0/18:1, 14:0/16:1, 16:0/14:1) [2]* diacylglycerol (14:0/18:1, 16:0/16:1) [2]* diacylglycerol (16:1/18:2 [2], 16:0/18:3 [1])* dihomolinoleate (20:2n6) dihomolinolenate (20:3n3 or 3n6) dihydroxyacetone phosphate (DHAP) dimethylarginine (ADMA + SDMA) dimethylglycine docosadienoate (22:2n6) docosahexaenoate (DHA; 22:6n3) docosapentaenoate (DPA; 22:5n3) docosapentaenoate (n6 DPA; 22:5n6) docosatrienoate (22:3n3) docosatrienoate (22:3n6)* dodecadienoate (12:2)* eicosanoylsphingosine (d20:1)* eicosapentaenoate (EPA; 20:5n3) eicosenoate (20:1n9 or 1n11) eicosenoylcarnitine (C20:1)* ergothioneine erucate (22:1n9) erythritol erythronate* ethylmalonate FAD folate fructose Isobar: hexose diphosphates fructosyllysine fumarate gamma-glutamyl-epsilon-lysine gamma-glutamylcysteine gamma-glutamylglutamate gamma-glutamylglutamine gamma-glutamylisoleucine* gamma-glutamylleucine gamma-glutamylmethionine gamma-glutamylserine gamma-glutamylthreonine gamma-glutamylvaline gluconate glucosamine-6-phosphate glucose glucose 6-phosphate glucuronate glutamate glutamate, gamma-methyl ester glutamine glutarate (C5-DC) glutathione, oxidized (GSSG) glutathione, reduced (GSH) glycerate glycerol glycerol 3-phosphate glycerophosphoethanolamine glycerophosphoglycerol glycerophosphoinositol* glycerophosphorylcholine (GPC) glycerophosphoserine* glycine glycochenodeoxycholate glycosyl ceramide (d16:1/24:1, d18:1/22:1)* glycosyl ceramide (d18:1/20:0, d16:1/22:0)* glycosyl ceramide (d18:1/23:1, d17:1/24:1)* glycosyl ceramide (d18:2/24:1, d18:1/24:2)* glycosyl-N-(2-hydroxynervonoyl)-sphingosine (d18:1/24:1(2OH))* glycosyl-N-behenoyl-sphingadienine (d18:2/22:0)* glycosyl-N-palmitoyl-sphingosine (d18:1/16:0) glycosyl-N-stearoyl-sphinganine (d18:0/18:0)* glycosyl-N-stearoyl-sphingosine (d18:1/18:0) glycylisoleucine glycylleucine glycylvaline guanidinoacetate guanine guanosine guanosine 3'-monophosphate (3'-GMP) guanosine 5'- diphosphate (GDP) 5'- GMP guanosine 5'-diphospho-fucose gulonate* heme heneicosapentaenoate (21:5n3) HEPES heptadecasphingosine (d17:1) hexadecasphingosine (d16:1)* hexanoylcarnitine (C6) hippurate histidine histidylalanine homocysteine homostachydrine* hydroxy-N6,N6,N6-trimethyllysine* hypotaurine hypoxanthine imidazole lactate imidazole propionate indolelactate inosine inositol 1-phosphate (I1P) isobutyrylcarnitine (C4) isoleucine isoleucylglycine isovalerylcarnitine (C5) isovalerylglycine kynurenine lactate lactosyl-N-arachidoyl-sphingosine (d18:1/20:0)* lactosyl-N-behenoyl-sphingosine (d18:1/22:0)* lactosyl-N-nervonoyl-sphingosine (d18:1/24:1)* lactosyl-N-palmitoyl-sphingosine (d18:1/16:0) lactosyl-N-stearoyl-sphingosine (d18:1/18:0)* lanthionine leucine leucylalanine leucylglutamine* leucylglycine lignoceroyl sphingomyelin (d18:1/24:0) lignoceroylcarnitine (C24)* linoleate (18:2n6) linolenate (18:3n3 or 3n6) linoleoyl ethanolamide linoleoyl-arachidonoyl-glycerol (18:2/20:4) [1]* linoleoyl-arachidonoyl-glycerol (18:2/20:4) [2]* linoleoylcarnitine (C18:2)* lysine lysylleucine malate malonate malonylcarnitine maltol sulfate mannitol/sorbitol mannose mannose 6-phosphate margarate (17:0) margaroylcarnitine (C17)* mead acid (20:3n9) methionine methionine sulfone methionine sulfoxide methyl glucopyranoside (alpha + beta) methylmalonate (MMA) methylphosphate methylsuccinate myo-inositol myristate (14:0) myristoleate (14:1n5) myristoyl dihydrosphingomyelin (d18:0/14:0)* myristoylcarnitine (C14) N('1)-acetylspermidine N(1)-acetylspermine N,N,N-trimethyl-5-aminovalerate N,N,N-trimethyl-alanylproline betaine (TMAP) N-(2-hydroxypalmitoyl)-sphingosine (d18:1/16:0(2OH)) N-acetyl-aspartyl-glutamate (NAAG) N-acetyl-glucosamine 1-phosphate N-acetylalanine N-acetylarginine N-acetylasparagine N-acetylaspartate (NAA) N-acetylcysteine N-acetylglucosamine 6-phosphate N-acetylglucosamine/N-acetylgalactosamine N-acetylglucosaminylasparagine N-acetylglutamate N-acetylglutamine N-acetylhistidine N-acetylleucine N-acetylmethionine N-acetylmethionine sulfoxide N-acetylneuraminate N-acetylphenylalanine N-acetylputrescine N-acetylserine N-acetyltaurine N-acetylthreonine N-arachidonoyltaurine N-carbamoylaspartate N-delta-acetylornithine N-formylmethionine N-formylphenylalanine N-glycolylneuraminate N-monomethylarginine N-oleoylserine N-oleoyltaurine N-palmitoyl-heptadecasphingosine (d17:1/16:0)* N-palmitoyl-sphingadienine (d18:2/16:0)* N-palmitoyl-sphinganine (d18:0/16:0) N-palmitoyl-sphingosine (d18:1/16:0) N-palmitoyltaurine N-stearoyl-sphingadienine (d18:2/18:0)* N-stearoyl-sphinganine (d18:0/18:0)* N-stearoyl-sphingosine (d18:1/18:0)* N-stearoyltaurine N1,N12-diacetylspermine 1-methyladenosine N2,N2-dimethylguanosine N6,N6,N6-trimethyllysine N6,N6-dimethyladenosine N6,N6-dimethyllysine N6-acetyllysine N6-methyladenosine N6-methyllysine nervonoylcarnitine (C24:1)* nicotinamide NAD+ nicotinamide ribonucleotide (NMN) nicotinamide riboside nisinate (24:6n3) nonadecanoate (19:0) O-methyltyrosine O-sulfo-L-tyrosine o-Tyrosine octanoylcarnitine (C8) oleate/vaccenate (18:1) oleoyl ethanolamide oleoyl-arachidonoyl-glycerol (18:1/20:4) [2]* oleoyl-linoleoyl-glycerol (18:1/18:2) [2] oleoyl-oleoyl-glycerol (18:1/18:1) [2]* oleoylcarnitine (C18:1) oleoylcholine ophthalmate ornithine orotate orotidine p-cresol sulfate palmitate (16:0) palmitoleate (16:1n7) palmitoleoyl ethanolamide* palmitoleoyl-oleoyl-glycerol (16:1/18:1) [2]* palmitoleoylcarnitine (C16:1)* palmitoyl dihydrosphingomyelin (d18:0/16:0)* palmitoyl ethanolamide palmitoyl sphingomyelin (d18:1/16:0) palmitoyl-arachidonoyl-glycerol (16:0/20:4) [1]* palmitoyl-arachidonoyl-glycerol (16:0/20:4) [2]* palmitoyl-dihomo-linolenoyl-glycerol (16:0/20:3n3 or 6) [2]* palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]* palmitoyl-oleoyl-glycerol (16:0/18:1) [2]* palmitoyl-sphingosine-phosphoethanolamine (d18:1/16:0) palmitoylcarnitine (C16) palmitoylcholine pantetheine pantothenate (Vitamin B5) penicillin G pentadecanoate (15:0) phenol red phenol sulfate phenylacetylglycine phenylalanine phenylalanylalanine phenylalanylglycine phenyllactate (PLA) phenylpyruvate phosphate phosphoenolpyruvate (PEP) phosphoethanolamine (PE) phosphopantetheine phytosphingosine pipecolate proline prolylglycine propionylcarnitine (C3) pseudouridine pterin putrescine pyridoxal pyridoxal phosphate pyridoxamine pyridoxamine phosphate pyridoxate pyridoxine (Vitamin B6) pyroglutamine* pyruvate retinol (Vitamin A) ribitol riboflavin (Vitamin B2) ribonate ribose ribose 1-phosphate ribulonate/xylulonate/lyxonate* ribulose/xylulose 5-phosphate S-(1,2-dicarboxyethyl)glutathione S-1-pyrroline-5-carboxylate S-adenosylhomocysteine (SAH) S-adenosylmethionine (SAM) sedoheptulose sedoheptulose-7-phosphate serine serotonin spermidine spermine sphingadienine sphinganine sphingomyelin (d17:1/14:0, d16:1/15:0)* sphingomyelin (d17:1/16:0, d18:1/15:0, d16:1/17:0)* sphingomyelin (d17:2/16:0, d18:2/15:0)* sphingomyelin (d18:0/18:0, d19:0/17:0)* sphingomyelin (d18:0/20:0, d16:0/22:0)* sphingomyelin (d18:1/14:0, d16:1/16:0)* sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0) sphingomyelin (d18:1/18:1, d18:2/18:0) sphingomyelin (d18:1/19:0, d19:1/18:0)* sphingomyelin (d18:1/20:0, d16:1/22:0)* sphingomyelin (d18:1/21:0, d17:1/22:0, d16:1/23:0)* sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)* sphingomyelin (d18:1/22:2, d18:2/22:1, d16:1/24:2)* sphingomyelin (d18:1/24:1, d18:2/24:0)* sphingomyelin (d18:1/25:0, d19:0/24:1, d20:1/23:0, d19:1/24:0)* sphingomyelin (d18:2/14:0, d18:1/14:1)* sphingomyelin (d18:2/16:0, d18:1/16:1)* sphingomyelin (d18:2/21:0, d16:2/23:0)* sphingomyelin (d18:2/23:0, d18:1/23:1, d17:1/24:1)* sphingomyelin (d18:2/23:1)* sphingomyelin (d18:2/24:1, d18:1/24:2)* sphingomyelin (d18:2/24:2)* sphingosine stachydrine stearate (18:0) stearoyl ethanolamide stearoyl sphingomyelin (d18:1/18:0) stearoyl-arachidonoyl-glycerol (18:0/20:4) [1]* stearoyl-arachidonoyl-glycerol (18:0/20:4) [2]* stearoyl-docosahexaenoyl-glycerol (18:0/22:6) [2]* stearoylcarnitine (C18) succinate succinylcarnitine (C4-DC) taurine taurochenodeoxycholate tetradecadienoate (14:2)* thiamin (Vitamin B1) thioproline threonate threonine threonylphenylalanine thymidine tiglyl carnitine (C5) hydroxyproline tricosanoyl sphingomyelin (d18:1/23:0)* trigonelline (N'-methylnicotinate) tryptophan tryptophylglycine tyrosine tyrosylglycine UDP-galactose UDP-glucose UDP-glucuronate UDP-N-acetylglucosamine/galactosamine uracil urate uridine uridine 3'-monophosphate (3'-UMP) uridine 5'-diphosphate (UDP) UMP uridine 5'-triphosphate (UTP) valine valylglutamine valylglycine xanthine xanthosine ximenoylcarnitine (C26:1)* X - 11580 X - 11677 X - 11787 X - 12100 X - 12462 X - 13504 X - 14056 X - 15161 X - 15220 X - 15666 X - 15806 X - 16060 X - 17010 X - 17808 X - 19369 X - 21342 X - 21351 X - 21740 X - 21796 X - 21891 X - 22771 X - 22776 X - 22810 X - 23782 X - 24035 X - 24425 X - 24435 X - 24518 X - 24691 X - 24697 X - 24699 X - 24729 X - 24952 X - 25003 X - 25004 X - 25009 X - 25026 X - 25076 X - 25102 X - 25109 X - 25180 X - 25855 X - 25856 X - 25936 METABOLITES_END #END