#METABOLOMICS WORKBENCH emashin_20250314_081717 DATATRACK_ID:5722 STUDY_ID:ST003805 ANALYSIS_ID:AN006254 PROJECT_ID:PR002379 VERSION 1 CREATED_ON March 14, 2025, 10:22 am #PROJECT PR:PROJECT_TITLE Epigenetic changes, neuronal dysregulation and behavioral abnormalities in PR:PROJECT_TITLE Zmym2+/- mutant mice, a genetic animal model of schizophrenia and PR:PROJECT_TITLE neurodevelopmental disorders PR:PROJECT_SUMMARY Loss-of-function mutations in ZMYM2 are associated with an increased risk for PR:PROJECT_SUMMARY schizophrenia (SCZ) and neurodevelopmental disorders (NDD). ZMYM2 interacts with PR:PROJECT_SUMMARY proteins that regulate histone modifications and gene expression, but its PR:PROJECT_SUMMARY functions in the brain are unclear. In this multi-omics study, we found that PR:PROJECT_SUMMARY Zmym2 heterozygous knockout in mice leads to widespread disturbance of gene PR:PROJECT_SUMMARY expression and alterations in diverse molecular pathways, including those PR:PROJECT_SUMMARY related to histone modifications and neuronal activity, particularly in neurons. PR:PROJECT_SUMMARY Proteomic analysis of synapses uncovered dysregulation in lipid metabolism and PR:PROJECT_SUMMARY neurofilament pathways. In neurophysiologic and behavioral tests, Zmym2+/- PR:PROJECT_SUMMARY mutant mice exhibit abnormal EEG patterns and locomotor activity. Our findings PR:PROJECT_SUMMARY underscore the critical role of ZMYM2 in brain development and function and PR:PROJECT_SUMMARY establish Zmym2 mutant mice as a useful genetically valid animal model for SCZ PR:PROJECT_SUMMARY and NDD. PR:INSTITUTE Broad Institute PR:LAST_NAME Mashin PR:FIRST_NAME Eivgeni PR:ADDRESS 300 Binney St., Cambridge, Massachusetts, 02142, USA PR:EMAIL emashin@broadinstitute.org PR:PHONE 6177147061 PR:CONTRIBUTORS Wei-Chao Huang, Kira A. Perzel Mandell, Sameer Aryal, Bryan J. Song, Antia PR:CONTRIBUTORS Valle-Tojeiro, Nathaniel Goble, Chuhan Geng, Ahmet S. Asan, Xiao-Man Liu, PR:CONTRIBUTORS Courtney Dennis, Lucas Dailey, Amy Deik, Lucia Inunciaga, Eivgeni Mashin, Zohreh PR:CONTRIBUTORS Farsi, Yining Wang, Jen Q. Pan, Clary B. Clish, Hasmik Keshishian, Steven A. PR:CONTRIBUTORS Carr, Morgan Sheng #STUDY ST:STUDY_TITLE Epigenetic changes, neuronal dysregulation and behavioral abnormalities in ST:STUDY_TITLE Zmym2+/- mutant mice, a genetic animal model of schizophrenia and ST:STUDY_TITLE neurodevelopmental disorders ST:STUDY_SUMMARY Loss-of-function mutations in ZMYM2 are associated with an increased risk for ST:STUDY_SUMMARY schizophrenia (SCZ) and neurodevelopmental disorders (NDD). ZMYM2 interacts with ST:STUDY_SUMMARY proteins that regulate histone modifications and gene expression, but its ST:STUDY_SUMMARY functions in the brain are unclear. In this multi-omics study, we found that ST:STUDY_SUMMARY Zmym2 heterozygous knockout in mice leads to widespread disturbance of gene ST:STUDY_SUMMARY expression and alterations in diverse molecular pathways, including those ST:STUDY_SUMMARY related to histone modifications and neuronal activity, particularly in neurons. ST:STUDY_SUMMARY Proteomic analysis of synapses uncovered dysregulation in lipid metabolism and ST:STUDY_SUMMARY neurofilament pathways. In neurophysiologic and behavioral tests, Zmym2+/- ST:STUDY_SUMMARY mutant mice exhibit abnormal EEG patterns and locomotor activity. Our findings ST:STUDY_SUMMARY underscore the critical role of ZMYM2 in brain development and function and ST:STUDY_SUMMARY establish Zmym2 mutant mice as a useful genetically valid animal model for SCZ ST:STUDY_SUMMARY and NDD. ST:INSTITUTE Broad Institute ST:LAST_NAME Mashin ST:FIRST_NAME Eivgeni ST:ADDRESS 300 Binney St., Cambridge, Massachusetts, 02142, USA ST:EMAIL emashin@broadinstitute.org ST:PHONE 6177147061 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 SU:GENOTYPE_STRAIN Zmym2+/- mice (C57BL/6NJ-Zmym2em1(IMPC)J /Mmjax; #051239-JAX) SU:AGE_OR_AGE_RANGE 1-5 Months SU:GENDER Male and female SU:ANIMAL_ANIMAL_SUPPLIER Jackson Laboratory #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 - 101304_1 Sample source:mouse cortex | Sex:M | Genotype:WT | Age:1M | Brain_region:CTX | Mice_:Zmym2 Tissue_weight_(g)=0.063; RAW_FILE_NAME(HP)=B0121_SHE_AKAP11_3rd_Set_HP-101304_1; RAW_FILE_NAME(CN)=B0121_SHE_AKAP11_3rd_Set_CN-101304_1; RAW_FILE_NAME(CP)=B0121_SHE_AKAP11_3rd_Set_CP-101304_1; RAW_FILE_NAME(HN)=B0121_SHE_AKAP11_3rd_Set_Rerun_HN-101304_1 SUBJECT_SAMPLE_FACTORS - 101304_2 Sample source:mouse cortex | Sex:M | Genotype:WT | Age:1M | Brain_region:CTX | Mice_:Zmym2 Tissue_weight_(g)=0.096; RAW_FILE_NAME(HP)=B0109_SHE_AKAP11_3rd_Set_HP-101304_2; RAW_FILE_NAME(CN)=B0109_SHE_AKAP11_3rd_Set_CN-101304_2; RAW_FILE_NAME(CP)=B0109_SHE_AKAP11_3rd_Set_CP-101304_2; RAW_FILE_NAME(HN)=B0109_SHE_AKAP11_3rd_Set_Rerun_HN-101304_2 SUBJECT_SAMPLE_FACTORS - 109527_2 Sample source:mouse cortex | Sex:M | Genotype:WT | Age:1M | Brain_region:CTX | Mice_:Zmym2 Tissue_weight_(g)=0.077; RAW_FILE_NAME(HP)=B0127_SHE_AKAP11_3rd_Set_HP-109527_2; RAW_FILE_NAME(CN)=B0127_SHE_AKAP11_3rd_Set_CN-109527_2; RAW_FILE_NAME(CP)=B0127_SHE_AKAP11_3rd_Set_CP-109527_2; RAW_FILE_NAME(HN)=B0127_SHE_AKAP11_3rd_Set_Rerun_HN-109527_2 SUBJECT_SAMPLE_FACTORS - 109527_3 Sample source:mouse cortex | Sex:M | Genotype:WT | Age:1M | Brain_region:CTX | Mice_:Zmym2 Tissue_weight_(g)=0.067; RAW_FILE_NAME(HP)=B0094_SHE_AKAP11_3rd_Set_HP-109527_3; RAW_FILE_NAME(CN)=B0094_SHE_AKAP11_3rd_Set_CN-109527_3; RAW_FILE_NAME(CP)=B0094_SHE_AKAP11_3rd_Set_CP-109527_3; RAW_FILE_NAME(HN)=B0094_SHE_AKAP11_3rd_Set_Rerun_HN-109527_3 SUBJECT_SAMPLE_FACTORS - 109528_2 Sample source:mouse cortex | Sex:M | Genotype:WT | Age:1M | Brain_region:CTX | Mice_:Zmym2 Tissue_weight_(g)=0.079; RAW_FILE_NAME(HP)=B0107_SHE_AKAP11_3rd_Set_HP-109528_2; RAW_FILE_NAME(CN)=B0107_SHE_AKAP11_3rd_Set_CN-109528_2; RAW_FILE_NAME(CP)=B0107_SHE_AKAP11_3rd_Set_CP-109528_2; RAW_FILE_NAME(HN)=B0107_SHE_AKAP11_3rd_Set_Rerun_HN-109528_2 SUBJECT_SAMPLE_FACTORS - 109530_1 Sample source:mouse cortex | Sex:M | Genotype:HET | Age:1M | Brain_region:CTX | Mice_:Zmym2 Tissue_weight_(g)=0.075; RAW_FILE_NAME(HP)=B0120_SHE_AKAP11_3rd_Set_HP-109530_1; RAW_FILE_NAME(CN)=B0120_SHE_AKAP11_3rd_Set_CN-109530_1; RAW_FILE_NAME(CP)=B0120_SHE_AKAP11_3rd_Set_CP-109530_1; RAW_FILE_NAME(HN)=B0120_SHE_AKAP11_3rd_Set_Rerun_HN-109530_1 SUBJECT_SAMPLE_FACTORS - 109530_2 Sample source:mouse cortex | Sex:M | Genotype:HET | Age:1M | Brain_region:CTX | Mice_:Zmym2 Tissue_weight_(g)=0.079; RAW_FILE_NAME(HP)=B0093_SHE_AKAP11_3rd_Set_HP-109530_2; RAW_FILE_NAME(CN)=B0093_SHE_AKAP11_3rd_Set_CN-109530_2; RAW_FILE_NAME(CP)=B0093_SHE_AKAP11_3rd_Set_CP-109530_2; RAW_FILE_NAME(HN)=B0093_SHE_AKAP11_3rd_Set_Rerun_HN-109530_2 SUBJECT_SAMPLE_FACTORS - 109530_3 Sample source:mouse cortex | Sex:M | Genotype:HET | Age:1M | Brain_region:CTX | Mice_:Zmym2 Tissue_weight_(g)=0.076; RAW_FILE_NAME(HP)=B0097_SHE_AKAP11_3rd_Set_HP-109530_3; RAW_FILE_NAME(CN)=B0097_SHE_AKAP11_3rd_Set_CN-109530_3; RAW_FILE_NAME(CP)=B0097_SHE_AKAP11_3rd_Set_CP-109530_3; RAW_FILE_NAME(HN)=B0097_SHE_AKAP11_3rd_Set_Rerun_HN-109530_3 SUBJECT_SAMPLE_FACTORS - 109530_4 Sample source:mouse cortex | Sex:M | Genotype:HET | Age:1M | Brain_region:CTX | Mice_:Zmym2 Tissue_weight_(g)=0.063; RAW_FILE_NAME(HP)=B0096_SHE_AKAP11_3rd_Set_HP-109530_4; RAW_FILE_NAME(CN)=B0096_SHE_AKAP11_3rd_Set_CN-109530_4; RAW_FILE_NAME(CP)=B0096_SHE_AKAP11_3rd_Set_CP-109530_4; RAW_FILE_NAME(HN)=B0096_SHE_AKAP11_3rd_Set_Rerun_HN-109530_4 SUBJECT_SAMPLE_FACTORS - 109530_5 Sample source:mouse cortex | Sex:M | Genotype:HET | Age:1M | Brain_region:CTX | Mice_:Zmym2 Tissue_weight_(g)=0.089; RAW_FILE_NAME(HP)=B0106_SHE_AKAP11_3rd_Set_HP-109530_5; RAW_FILE_NAME(CN)=B0106_SHE_AKAP11_3rd_Set_CN-109530_5; RAW_FILE_NAME(CP)=B0106_SHE_AKAP11_3rd_Set_CP-109530_5; RAW_FILE_NAME(HN)=B0106_SHE_AKAP11_3rd_Set_Rerun_HN-109530_5 #COLLECTION CO:COLLECTION_SUMMARY The detailed procedure of brain perfusion and dissection was described CO:COLLECTION_SUMMARY previously31. In brief, mice were anesthetized with isoflurane, and transcardial CO:COLLECTION_SUMMARY perfusions were performed with ice-cold HBSS (Life Technologies) to remove blood CO:COLLECTION_SUMMARY from the brain, which was then immediately frozen in liquid nitrogen vapor and CO:COLLECTION_SUMMARY stored at –80°C. Brain dissection was carried out in a cryostat, with all CO:COLLECTION_SUMMARY tools precooled to –20°C. The cerebellum was removed first, and then the CO:COLLECTION_SUMMARY medial prefrontal cortex, dorsal hippocampus, thalamus, somatosensory cortex, CO:COLLECTION_SUMMARY and dorsal striatum, and substantia nigra, were meticulously dissected using CO:COLLECTION_SUMMARY biopsy punch and ophthalmic microscalpel in a cryostat (Leica). The brain CO:COLLECTION_SUMMARY regions were identified using the Allen Brain Atlas, with each excised tissue CO:COLLECTION_SUMMARY stored at –80°C in 1.5ml tubes. CO:SAMPLE_TYPE Brain cortex #TREATMENT TR:TREATMENT_SUMMARY NO TREATMENT ADMINISTRED TO THE ANIMALS PRIOR TO SAMPLE COLLECTION #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Brain tissues (n = 5 per genotype) were homogenized using a Qiagen TissueLyzer SP:SAMPLEPREP_SUMMARY II in water at 1:4 (w:v) (TissueLyser II; Qiagen) and the aqueous homogenate was SP:SAMPLEPREP_SUMMARY subjected to protein precipitation. Samples were prepared for each method using SP:SAMPLEPREP_SUMMARY extraction procedures that are matched for use with the chromatography SP:SAMPLEPREP_SUMMARY conditions: - HILIC-pos: Homogenates (10 μL) samples were extracted with the SP:SAMPLEPREP_SUMMARY addition of nine volumes of 74.9:24.9:0.2 v/v/v acetonitrile/methanol/formic SP:SAMPLEPREP_SUMMARY acid containing stable isotope-labeled internal standards (valine-d8, Isotec; SP:SAMPLEPREP_SUMMARY and phenylalanine-d8, Cambridge Isotope Laboratories). The samples were SP:SAMPLEPREP_SUMMARY centrifuged (10 min, 9,000g, 4°C), and the supernatants (10 μL)injected SP:SAMPLEPREP_SUMMARY directly onto column. - C8-pos: Homogenates (10 μL) were extracted using 190 SP:SAMPLEPREP_SUMMARY μL isopropanol containing SP:SAMPLEPREP_SUMMARY 1-dodecanoyl-2-tridecanoyl-sn-glycero-3-phosphocholine as an internal standard SP:SAMPLEPREP_SUMMARY (Avanti Polar Lipids; Alabaster, AL). After centrifugation (10 min, 9,000g, SP:SAMPLEPREP_SUMMARY ambient temperature), supernatants (2 μl) were injected directly onto column. - SP:SAMPLEPREP_SUMMARY C18-neg: Homogenates (30 μL) were extracted using 90 μl methanol containing SP:SAMPLEPREP_SUMMARY 15R-15-methyl ProstaglandinA2,15R-15-methyl ProstaglandinF2α, 15S-15-methyl SP:SAMPLEPREP_SUMMARY ProstaglandinD2, 15S-15-methyl Prostaglandin E1, and 15S-15-methyl Prostaglandin SP:SAMPLEPREP_SUMMARY E2 as internal standards (Cayman Chemical Co.) and centrifuged (10 min, 9,000g, SP:SAMPLEPREP_SUMMARY 4°C). The supernatants (10 μL) were injected onto column. - HILIC-neg: SP:SAMPLEPREP_SUMMARY Homogenates (30 μL) were extracted with the addition of four volumes of 80% SP:SAMPLEPREP_SUMMARY methanol containing inosine-15N4, thymine-d4 and glycocholate-d4 internal SP:SAMPLEPREP_SUMMARY standards (Cambridge Isotope Laboratories). The samples were centrifuged (10 SP:SAMPLEPREP_SUMMARY min, 9,000g, 4°C) and the supernatants 10 μL) were injected directly onto SP:SAMPLEPREP_SUMMARY column. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Shimadzu Nexera X2 CH:COLUMN_NAME Waters Atlantis HILIC Silica 2.1 x 150 mm, 3 µm CH:SOLVENT_A 100% Water, 10 mM Ammonium Formate, 0.1% Formic Acid CH:SOLVENT_B 100% acetonitrile, 0.1% Formic Acid in Acetonitrile CH:FLOW_GRADIENT Isocratically with 5% mobile phase A for 1 minute followed by a linear gradient CH:FLOW_GRADIENT to 40% mobile phase B over 10 minutes CH:FLOW_RATE 250 µL/min CH:COLUMN_TEMPERATURE 30℃ #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive HF hybrid Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS Raw data were processed using TraceFinder 3.3 software (Thermo Fisher MS:MS_COMMENTS Scientific; Waltham, MA) and Progenesis QI (Nonlinear Dynamics; Newcastle upon MS:MS_COMMENTS Tyne, UK). Metabolite identities were confirmed using authentic reference MS:MS_COMMENTS standards or reference samples. MS:MS_RESULTS_FILE ST003805_AN006254_Results.txt UNITS:abundances Has m/z:Yes Has RT:Yes RT units:Minutes #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS abundances MS_METABOLITE_DATA_START Samples 109530_2 109527_3 109530_4 109530_3 109530_5 109528_2 101304_2 109530_1 101304_1 109527_2 Factors Sample source:mouse cortex | Sex:M | Genotype:HET | Age:1M | Brain_region:CTX | Mice_:Zmym2 Sample source:mouse cortex | Sex:M | Genotype:WT | Age:1M | Brain_region:CTX | Mice_:Zmym2 Sample source:mouse cortex | Sex:M | Genotype:HET | Age:1M | Brain_region:CTX | Mice_:Zmym2 Sample source:mouse cortex | Sex:M | Genotype:HET | Age:1M | Brain_region:CTX | Mice_:Zmym2 Sample source:mouse cortex | Sex:M | Genotype:HET | Age:1M | Brain_region:CTX | Mice_:Zmym2 Sample source:mouse cortex | Sex:M | Genotype:WT | Age:1M | Brain_region:CTX | Mice_:Zmym2 Sample source:mouse cortex | Sex:M | Genotype:WT | Age:1M | Brain_region:CTX | Mice_:Zmym2 Sample source:mouse cortex | Sex:M | Genotype:HET | Age:1M | Brain_region:CTX | Mice_:Zmym2 Sample source:mouse cortex | Sex:M | Genotype:WT | Age:1M | Brain_region:CTX | Mice_:Zmym2 Sample source:mouse cortex | Sex:M | Genotype:WT | Age:1M | Brain_region:CTX | Mice_:Zmym2 Valine-d8 [iSTD] 72846531 78900569 76847288 74308493 75158539 76298367 79188898 75586884 76516041 76309051 Phenylalanine-d8 [iSTD] 131856141 133622486 127411039 129569123 121853197 126338372 125579094 130311748 127378889 136140789 Tyramine 1576 1585 1625 1607 1669 1655 1623 1455 1506 1630 3-Methoxytyramine 6570 17036 9951 13217 8345 6617 7518 17161 2818 3234 S-Adenosylhomocysteine 11242 14540 11046 11066 11729 10847 11895 13614 10042 10510 S-Adenosylmethionine 188920 221935 268562 216682 267545 249720 295533 219176 211453 238199 N-Acetyl-D-galactosamine 3504 2895 2775 4024 2665 3472 3669 3228 3193 3870 gamma-Aminobutyric acid 642972381 703228690 656440164 653858613 694957468 663766513 733626311 713929541 695646569 684705797 Lauroyl diethanolamide 54069 55156 73489 69196 63650 57260 50783 28474 43708 32281 Palmitoleoyl-EA 19398 11729 11335 11023 12187 13984 12160 13383 13007 12411 Palmitoyl-EA 17358 16837 26520 22807 37010 32370 37458 25947 24708 24506 Linoleoyl-EA 38609 19091 23737 27234 24449 25263 25208 37297 35614 24167 Oleoyl-EA 78559 60641 70548 75774 78342 80522 95675 85858 75598 73814 Arachidonoyl-EA 29955 14869 16222 22054 18727 21100 22892 31335 33056 19403 Eicosanoyl-EA 6488 2644 2752 3314 3460 3640 4225 6339 5879 2934 Putrescine 22187 26391 21931 24079 23959 24667 24394 21542 17854 22437 Cadaverine 739 536 758 615 661 796 790 1020 623 1040 Tetradecylamine 132833 113821 70609 76048 122235 148690 130973 122008 91083 85942 3-Dehydroxycarnitine 1342766 1184437 1310683 1413294 1417957 1520342 1792673 1491699 1402503 1562448 CAR 2:0 4046608 3100382 4030096 5312217 4421430 7121512 8506247 4539384 5676090 5953946 CAR 3:0 28328 17531 26400 31205 26115 25827 28744 23224 32711 26336 CAR 4:0 12397 8128 4855 15955 9017 18795 16411 7329 13124 15189 CAR 5:1 1345 1637 1387 1793 1458 1832 2348 1595 1570 1677 CAR 5:0 33011 29392 20569 31132 30812 65960 41250 32032 25534 39961 CAR DC3:0 5065 3537 5241 6048 5108 6382 7490 5409 5107 5520 CAR 4:0;OH 30392 45379 37369 87577 46809 47840 68516 30941 71783 45118 CAR DC4:0 2640 1457 2307 1857 1920 3109 2913 2054 2115 2096 CAR 5:0;OH 142199 153212 160753 142579 152887 169784 220736 158294 178564 173538 CAR 6:0;OH 4506 3421 3906 5508 4317 5096 6279 5106 5281 5894 CAR DC6:0 3422 1946 2925 3121 3254 3217 4316 3274 3446 3839 CAR 8:0;OH 179939 154488 148550 242654 182438 246808 228484 179986 169778 213601 CAR 12:0 2475 445 2048 1358 1614 2624 2329 1538 1409 2280 CAR 14:1 691 146 472 391 417 456 616 342 317 438 CAR 14:0 97310 58540 99247 88629 76213 142680 142318 112686 91380 132184 CAR 15:2 786 57 1493 562 715 3924 10180 788 4564 2803 CAR 14:0;OH 111130 76484 142796 107940 104460 142069 124845 118627 96393 108496 CAR 16:1 14602 3903 10292 12835 6710 11449 11795 11243 11499 16383 CAR 16:0 123679 77695 108811 110896 75850 136628 119505 132643 98100 145886 CAR 16:0;OH 3640 2482 4388 4532 2936 4870 4704 3596 2682 4037 CAR 18:1 76475 38818 60614 61365 53442 76098 79849 70893 56697 70565 CAR 18:0 47158 40030 53580 55958 45837 60665 56678 58363 47591 64777 CAR 18:1;OH 5057 2924 5484 4009 3864 3782 6382 5366 3930 4711 CAR 18:0;OH 1447 1241 2090 2985 2073 2261 3153 2998 1845 2479 CAR 20:4 35908 20833 22920 42273 26284 36900 37888 23892 34173 27545 CAR 20:1 4003 2354 4053 6502 3599 4316 5395 4349 3716 5146 CAR 20:0 3697 2823 4831 6248 4877 5064 5774 5041 3218 5188 CAR 22:1 40085 24965 75649 79192 83122 88577 124313 117506 59817 98404 CAR 22:0 43621 30023 74022 67202 82004 76649 125972 103995 60943 82626 CAR 24:1 15626 10992 26924 22272 45400 33764 74801 85130 30738 52513 CAR 24:0 47081 38507 66550 36577 55461 43156 124152 74694 46424 49978 DG 36:4 147619 173844 225886 127568 194500 215959 272006 224335 208306 233544 DG 36:3 304891 356017 452050 306371 412075 503792 587477 473093 379920 482242 DG 36:2 15135 12184 23448 12915 17984 21491 33366 20206 17591 22495 DG 38:5 144469 171858 209135 111450 156517 184944 207463 196199 161228 206285 TG 46:2 5467 2846 6289 11718 64108 15932 3555 7018 3103 1585 LPC 14:0 11037 14865 17050 11889 14520 12904 13546 14311 10690 13026 LPC 15:0 2124 5670 6752 2592 3626 3146 3284 3227 2420 3099 LPC 16:1 67764 83815 75881 66577 76260 65571 70319 66892 60832 68200 LPC 16:0 3139770 3749000 3865385 3496257 3867669 3707311 4421310 3664328 3716344 3480872 LPC 17:0 9046 17481 20392 9677 12091 13160 14810 12053 11839 10909 LPC 18:2 28220 38900 35643 27329 28355 33610 38353 27646 30836 32137 LPC 18:1 509699 600547 630621 507192 556805 557971 616270 558137 536513 512203 LPC 18:0 521408 668841 675785 590701 731020 685814 772156 651113 678480 628223 LPC 20:4 392346 366843 369842 368769 406011 370172 439009 357095 400677 350412 LPC 20:1 28063 33859 33348 26973 29703 28610 41565 34034 30909 31699 LPC 20:0 8425 7270 11207 7034 11686 10956 18691 12890 10284 11415 LPC 22:6 269820 255522 273738 245377 288634 283473 367747 270032 312068 268298 LPC 22:4 15323 16449 16831 15726 17902 18365 22886 17103 18501 15437 LPC 22:0 9540 8242 13907 10301 13153 11620 14991 13447 7631 11392 LPC 24:0 10501 9411 15487 10322 14304 11276 14324 15753 8500 12296 LPC P-16:0 or LPC O-16:1 935 1251 1047 463 786 1085 1702 670 1683 1020 LPC O-16:0 4961 7648 9341 7343 7400 7911 10751 7506 7464 7271 LPC P-18:0 or LPC O-18:1 3153 3367 3978 2473 2563 2680 3308 3020 3028 2614 PC P-32:0 or PC O-32:1 356732 388061 407860 350269 398556 351106 380643 392503 355059 356356 PC O-32:0 760455 763484 756164 715611 805681 726204 747573 763944 758671 694311 PC P-34:2 or PC O-34:3 3169 5742 5201 4636 5147 4637 4848 3076 4176 4107 PC P-34:1 or PC O-34:2 207642 203946 252299 195345 217457 208535 249855 239857 200195 220008 PC P-34:0 or PC O-34:1 1660265 1815996 2008528 1767726 1949392 1806962 1933884 1948368 1608275 1798536 PC P-36:4 or PC O-36:5 137052 162624 170439 149182 168688 157406 185720 163430 180718 151189 PC P-36:3 or PC O-36:4 185822 240455 233063 212818 224504 217679 232580 232002 214158 208647 PC P-36:2 or PC O-36:3 31839 40362 48075 33906 33813 33837 45268 34139 35012 32475 PC P-36:1 or PC O-36:2 84824 79453 113033 77424 78870 80348 88494 94868 69979 83614 PC P-36:0 or PC O-36:1 47371 22639 55392 41292 36198 36352 46559 54727 21704 43749 PC P-38:6 or PC O-38:7 125971 150774 174687 156168 163839 171581 211971 166645 182791 157607 PC P-38:5 or PC O-38:6 96469 123287 123519 107424 105011 108225 118064 113420 104930 98226 PC P-38:4 or PC O-38:5 120126 164377 166682 139204 155152 144011 178388 149789 159253 142206 PC P-38:3 or PC O-38:4 34736 46046 43655 40547 46722 39991 47686 45564 42527 38618 PC 28:0 78697 104122 166332 86249 108600 88969 66707 125095 48840 94498 PC 30:1 83255 115549 111092 88679 92733 87293 65349 99158 66497 89942 PC 30:0 5043112 6502713 6959636 5272982 6282294 4996904 4293766 5930505 4008119 5434160 PC 31:1 17225 59702 53522 19412 26650 18544 13945 21964 13514 17683 PC 31:0 750871 1494297 1486463 757589 962603 851876 814488 846746 753619 820358 PC 32:2 109046 162898 133299 115583 111486 110560 87474 118174 80044 112280 PC 32:0 70514496 77328359 75317398 69509365 84941783 74718453 80848333 74860126 77662238 71297749 PC 33:2 15273 27249 28571 20181 14858 14311 14343 14533 13845 15736 PC 33:1 441623 789333 813582 462634 521352 520656 508304 516190 446116 506170 PC 33:0 333815 557523 556601 324423 361910 360559 378119 349337 363904 343214 PC 34:4 30702 41193 41357 34784 32645 32297 26044 35660 27610 33524 PC 34:2 60551120 86887288 80398039 69083030 72053070 78555671 75874879 72465689 65372850 76910605 PC 34:1 95537954 105030100 111997972 103353963 113140286 109580689 118821073 109839352 107835024 109468245 PC 35:2 87650 133371 140629 84983 89900 91281 88001 88092 73441 88970 PC 36:5 366724 420511 365565 366678 375102 367815 320857 354913 321276 352915 PC 36:4 23761928 25895566 25800485 25377712 28005642 27137283 28111327 26144749 28138794 26702511 LPE 16:1 1966 3385 2764 2645 2746 2531 2711 2421 2386 2222 LPE 16:0 196347 269098 255277 226105 299977 270685 312804 256619 253676 237391 LPE 17:0 2381 5152 5032 2607 4000 2349 3893 3015 3662 3015 LPE 18:2 4323 7733 6485 4883 5274 7467 7446 5961 5524 6301 LPE 18:1 357790 383522 403302 366812 437763 458879 605759 413762 431511 404786 LPE 18:0 994019 1120712 1088947 1072058 1437550 1318220 1675053 1138728 1370944 1102878 LPE 20:4 876695 812577 846720 925010 1021631 1020494 1161780 860439 926234 829532 LPE 20:2 665 1484 1014 951 1084 1038 1756 887 203 511 LPE 22:6 1588355 1519991 1639210 1639125 1757383 1874033 2098208 1586646 1743031 1653300 LPE P-18:0 or LPE O-18:1 154942 181549 191198 173478 220696 196589 254640 186084 214892 187409 PE P-34:2 or PE O-34:3 95591 87726 106476 83027 97413 92193 96797 104380 80523 102088 PE P-34:1 or PE O-34:2 1006295 750631 932028 837269 851718 871915 999187 1043891 829693 981173 PE P-34:0 or PE O-34:1 162819 154505 141879 149065 130921 126095 134020 125312 114669 130654 PE P-36:4 or PE O-36:5 1286363 1386808 1424930 1371363 1586150 1505712 1418573 1513859 1417844 1475232 PE P-36:2 or PE O-36:3 668294 492285 701010 556089 577118 617272 801564 732372 619990 709156 PE P-36:1 or PE O-36:2 373444 240801 316303 292630 251257 283721 332164 349389 276315 345087 PE P-38:6 or PE O-38:7 62666806 64714719 69602591 70831923 75867977 73362133 71104721 74085988 65640442 71688605 PE P-38:5 or PE O-38:6 1493888 1696764 1631894 1565878 1775151 1722282 1969204 1761613 1788803 1753142 PE P-38:4 or PE O-38:5 2620920 2776277 2624410 2658286 2913208 2792936 2936418 2823511 2885579 2864972 PE P-38:2 or PE O-38:3 86459 49190 77246 65391 56970 67019 86325 83472 59865 77636 PE P-39:6 or PE O-39:7 68512 94502 99769 74878 79713 79679 90525 85496 83632 84430 PE P-40:6 or PE O-40:7 7468120 7888259 7763663 7792907 8335366 8139010 9131243 8382309 8633868 8263689 PE P-40:4 or PE O-40:5 668534 708604 589419 637764 654355 646142 691161 663911 700284 672762 PE 32:1 62885 73323 63916 59936 63514 60271 56224 57246 52139 59590 PE 34:2 194625 263506 241659 203781 229567 234653 241121 221347 203587 227429 PE 34:1 1537239 1700658 1534892 1473750 1563619 1499306 1578497 1532090 1461023 1561808 PE 36:4 1222076 1400581 1420397 1282808 1592307 1482465 1506617 1445347 1548271 1458216 PE 36:3 167655 215485 205744 172566 211540 220578 229006 185982 185101 208817 PE 36:2 1373085 1432546 1454730 1317728 1473315 1444882 1557689 1492563 1366170 1474070 PE 37:4 21417 41317 44481 22893 30348 27334 24654 28085 28802 25164 PE 38:6 61478587 69003239 74946130 66001105 78652834 80128388 81484911 77026579 64403887 82245922 PE 38:4 7369275 8431705 8025951 7623220 9142243 8345896 8331080 8174194 8518024 8305983 PE 40:6 6763200 7248153 8017714 7289461 8225476 8407672 8904327 7998669 8438620 8371373 AICAR 700479 697033 610940 392254 396614 503426 538415 456028 399999 615764 1-Methylguanine 1688 3149 2162 1502 2340 1894 1725 2216 1179 1957 7-Methylguanine 21468 27085 22570 22565 24865 25413 23302 23790 17233 22663 Deoxyadenosine 872 1644 1270 2183 19728 1834 2093 832 2244 1381 3',5' cyclic AMP 44027 25542 34237 43026 31575 52083 51178 36055 58400 31708 Adenosine 4560558 7122478 6917795 11224520 5663118 8019787 11175130 4875969 10273111 7130818 Inosine 8333016 8614317 7489911 8951458 7954443 8040554 9046412 7761940 7942475 8123868 1-Methyladenosine 46657 47908 45847 47683 46700 48590 54963 51726 41055 43730 Guanosine 2480337 2486879 1927199 2560395 2092357 2117499 2243798 2176149 2211223 2295435 Xanthosine 23497 19906 21426 25743 63924 24069 22108 20327 21119 20885 5'-Methylthioadenosine 737759 724538 796019 775905 965081 828374 1019205 653933 852950 900654 2-Methylguanosine 10550 12646 11957 9800 13550 10261 10255 12366 7997 10664 N2,N2-Dimethylguanosine 342539 357009 321194 363332 400824 332727 289195 281873 246676 302590 Xanthine 776800 690568 696054 853291 922268 750908 931954 783090 770919 856616 FAPy-adenine 1352 26925 95856 27186 8717 5613 7587 1711 5076 2381 Ectoine 38954 44817 19489 42120 46984 28896 14082 41300 9243 35290 Deoxycytidine 19038 24072 25000 21255 35903 27891 16796 20978 14181 23815 Thymidine 176561 351706 324873 390941 436363 478842 375854 258204 208216 224992 Cytidine 1265121 1298641 1134260 1162162 1254269 1325417 1213073 1230020 1117729 1393034 5-Methylcytidine 9511 10085 9080 10506 22280 10398 11704 11534 9187 12087 N4-Acetylcytidine 22112 24423 28328 25504 29581 20965 9462 19929 9737 16109 Cytosine 19008184 24699831 18434434 15190881 22709977 22802547 18372397 18723488 15412471 24026073 5-Methylcytosine 301 242 283 258 297 265 349 387 356 271 Thiamine 276124 273801 270728 281800 320792 335319 341822 304225 287493 305401 Glycine 11720615 8651979 11205556 11247971 12759191 12248626 14614667 11661761 10366465 11143358 Alanine 86167 85383 98112 100985 107932 104245 120260 103763 109119 99816 beta-Alanine 17550 18792 19823 18779 20919 21132 25592 20392 20700 20863 Sarcosine 83828 80635 85436 91757 87316 92280 97309 89634 96709 89815 Serine 30925 30152 32975 34253 41003 36727 44146 34875 39958 37711 Proline 675834 708360 804626 691858 845505 768773 734974 715894 603523 704476 N-Acetylglycine 94866 21797 14578 90047 24567 24635 9309 3638 13169 70496 Guanidoacetic acid 3209 3461 3327 3584 4225 3510 6711 3055 4789 3837 Valine 38439184 47681353 43645322 45030195 55129245 53405541 55338879 43043427 45829782 46720210 Betaine 1183341 1171433 1226981 1347926 1342866 1376747 1508365 1393936 1042319 1082497 Threonine 18760 19602 21179 19616 25711 22597 30128 19264 26094 23183 Pipecolic acid 8720 5103 4785 8651 9562 9909 11313 9721 8961 9762 N-Acetylalanine 1868 1963 1850 2021 2202 2096 1911 2151 1878 2167 Hydroxyproline 13706 9220 9221 15532 16776 22708 21664 16790 13034 17187 Creatine 20090147 19031716 20685743 21467429 20948399 22032052 23731406 20860417 22711772 21275385 Leucine 65912048 65069653 79002772 77575096 101164053 91393385 99488077 83601283 77798085 87256643 Isoleucine 41919744 47647928 48070420 52824781 68557679 61742799 62338608 53522007 48646001 55935619 Alloisoleucine 8611 8573 7193 8868 9676 9493 10875 9781 8155 9978 Asparagine 31094 34908 34868 35588 40014 37133 45401 35911 35266 38068 Ornithine 2148006 2610193 2320781 1780193 4965115 2171302 3513365 2698596 2284036 2644334 Aspartic acid 306918 279528 326806 313833 336218 299999 501135 333913 373804 366367 Proline betaine 89838 67393 69534 124947 128391 64363 43202 119426 21954 56519 4-Guanidinobutanoic acid 45658 48421 43234 47104 48814 43516 57341 47836 32930 44583 Glutamine 3375610 6249737 6717338 3378707 3668648 4095943 3894556 3458678 3260816 3195235 Lysine 555808 502117 605480 551544 599998 751125 618355 561631 444631 629388 Glutamic acid 1397497 1365830 1399311 1423457 1481902 1386482 1554223 1433182 1586270 1455728 Methionine 140635 185421 206015 124764 171125 140854 162108 144321 116265 183002 Histidine 64651 75713 110451 84428 210728 110760 112349 74298 56355 76350 2-Aminooctanoic acid 1139 1775 1931 1095 756 1124 1183 768 1158 912 N(6)-Methyllysine 47141 67277 62301 65224 79551 83842 77185 76216 43742 70547 Methionine sulfoxide 596 784 669 466 1203 359 526 495 404 656 Phenylalanine 82289563 100816110 131499361 90717936 84042084 88153935 86019185 80719560 74059371 90342923 3-Methylhistidine 21214 20849 48443 29657 23958 27248 21926 28311 18016 19780 N-Acetylleucine 3084 2582 2788 2068 954 2018 1038 874 1167 1453 N-Acetylornithine 15365 20133 21417 17082 23169 19280 20235 17563 18188 19265 Arginine 3403404 3483688 3941148 3518175 4486331 4123530 5494364 4058524 3904328 4233272 N(6),N(6)-Dimethyl-lysine 29433 33755 34580 40145 47324 48214 55241 44609 41615 46191 N-Acetylaspartic acid 10376118 10726272 11973896 11208729 10709130 12220016 13251303 11095932 10330632 10135697 Tyrosine 19026426 45900700 43603556 20712271 28683027 29178537 31783448 26592563 23556647 26171125 N-Acetylglutamine 13597 35850 46934 13778 15489 14352 14514 13600 11655 11952 Homoarginine 15750 14755 20415 16342 16784 16213 15100 18843 10536 14107 Targinine 99023 98781 128075 102691 116175 116571 131346 114908 94712 115424 N-6-Trimethyllysine 327836 337786 349707 403466 397589 461639 578479 444866 455856 433393 N-Acetylglutamic acid 800786 970217 976460 835344 848476 908150 1124922 870762 855544 842108 N-Acetylmethionine 29014 25960 28507 38786 31884 34640 38209 26544 39678 33566 N-Acetylhistidine 244275 356599 674308 223844 266267 249524 196633 175062 127530 185750 Symmetric dimethyl-arginine 15564907 14064291 21880006 17897397 16693155 16079075 14471095 18456976 11735672 14256073 Dimethylarginine 20606286 26282512 27765214 20122297 38411883 24377341 25609080 21782072 19607855 23601779 Tryptophan 10668342 18884902 21830392 11488839 11491524 11129160 10769974 8889419 9808951 10024607 N-Acetylarginine 85421 139280 139107 88956 93785 81722 107644 89560 102428 81032 Pantothenic acid 3896737 5817551 4722875 4036794 4773159 4878557 4317426 4507958 3770162 4151593 Cystine 5298 4480 4999 4525 4337 5371 6642 4546 3937 4725 N-Acetyl-D-tryptophan 68 577 531 100 126 151 167 100 124 112 Argininosuccinic acid 144850 109544 161847 166923 168303 185192 260358 176051 200345 156020 C-Glycosyltryptophan 13963 12164 13031 15409 16760 16091 17744 16808 14194 16818 Ala-Ala 6708 7992 7170 7682 7539 8936 12420 6828 7637 7292 Pro-Ala 6951 9473 10237 10268 13168 13133 12208 10229 11445 12528 Leu-Gly 1005 1287 1415 1883 1989 2534 3059 1449 2272 2240 Ala-Thr 5466 7030 7143 6070 6196 6117 6308 6431 5098 6002 Glu-Gly 550 273 472 366 473 525 615 694 335 654 Pro-Pro 15946 19749 20650 18171 21661 24233 20610 18374 21221 21798 Pro-Val 1011 1062 1427 1643 2322 2153 4699 1447 1975 1762 Ala-Lys 2331 652 1112 1927 2623 2782 2839 3097 1763 2530 Ala-His 94497 149013 185423 104771 123903 152816 157298 130819 105500 127749 Ile-Pro 3196 4189 5166 6742 10402 8802 14450 5594 7303 6594 Gly-Arg 294 315 416 359 1320 651 645 398 343 628 Val-Asp 1543 3328 3667 2084 2447 2458 3200 2698 2818 2910 Asp-Val 2504 2129 1412 2288 2815 3079 3800 2631 3022 3267 Arg-Ala 431 509 605 671 1633 1104 1244 758 660 971 Ser-Arg 1501 1268 1662 2024 3281 2783 3136 2213 2112 2324 Glu-Gln 29025 44728 58053 30890 30697 36057 33359 30993 27102 26809 Phe-Leu 1831 828 1402 1749 6265 2166 4460 3708 1909 1418 Tyr-Leu 787 806 1091 1622 2257 2025 4058 1305 1555 1471 Tyr-Lys 7446 5813 7388 18153 10347 14032 17238 8980 13528 9997 Carnosine 2233 1961 2314 2808 3145 5266 5828 3422 2274 3459 Anserine 2074188 2967245 3212974 2817589 3055338 2998478 3067338 3006838 2455603 2962897 N-Acetylputrescine 568 638 561 662 647 654 732 597 617 705 N1-Acetylspermidine 79700 85630 75253 101228 98215 144310 134022 83158 91555 106347 sn-Glycero-3-phosphocholine 3432423 4195206 2780300 7644805 6551904 9747031 20533385 4426408 13873822 7466128 Phosphoethanolamine 447282 505522 496992 487116 521473 526247 592871 486858 458359 468127 Hypotaurine 8138 11706 8091 8413 9246 8245 14316 8324 5945 8343 Taurine 8281287 7465428 7577803 8714421 8922970 9008012 9332144 8970321 8505403 8590277 Diethanolamine 41024 25165 331129 365160 17316 27198 26994 12803 35516 19073 Trimethylamine N-oxide 9161591 8715031 8153938 9314334 8747035 10147034 12581607 8395841 8625169 9968909 Histamine 6852 10501 10691 6162 7420 7329 8475 7229 7349 5789 1-Methylhistamine 27426 49592 50237 37469 62135 72186 157865 51287 110720 64724 Triethanolamine 26477 28156 76953 71478 13686 16183 17099 10982 35869 11578 Tributylamine 354350 291843 365273 372746 232707 275679 276332 202543 289006 233657 Carnitine 13795426 9620141 11867311 12019205 12865341 13498563 16084933 12947291 13437131 12636161 Choline 16340268 15657163 15779600 13718233 17004742 16140484 16851645 16792255 13815330 15478357 Acetylcholine 517734 821869 748735 451247 692809 587093 774709 889983 668740 519895 Choline phosphate 4932719 5040537 5087067 5139354 5588405 5342572 7193176 5785633 5043270 4914025 N,N-Dicyclohexylamine 13404 5156 10217 6576 8076 10717 8770 8412 14146 3063 Methylguanidine 294 269 209 315 402 223 247 214 268 268 Agmatine 225179 359862 258861 212736 356549 349937 349946 310321 365647 368078 Myo-inositol 1098396 750874 781236 1136034 1058460 1170321 1597413 989923 1311130 1025992 Creatinine 389453 281535 305437 363494 352344 380914 441620 332568 319685 382396 Biliverdin 36150 71201 60140 101244 120413 257566 121314 51233 72278 71241 Urocanic acid 43666 30042 38513 42063 828326 59435 184153 19537 19838 25430 Imidazolepropionic acid 3655 5565 2840 3440 4232 4360 1812 4430 1014 3450 Methylimidazoleacetic acid 7826 7557 11100 11252 12480 19567 41169 16282 19786 18293 Heme 37426 84794 74327 90199 162636 285236 102949 135763 205811 125555 Biopterin 89275 154695 124430 113091 120678 153601 157890 144730 117772 89837 N1-Methyl-2-pyridone-5-carboxamide 22170 39605 33147 25155 22079 36732 16440 27804 14527 28176 Niacinamide 16745696 16441608 17798983 17570149 18242505 18789723 20374482 17709485 17704052 17571821 1-Methyl nicotinamide 24133 27700 24146 31049 29574 28876 13647 29817 12919 25433 Trigonelline 346147 244712 173183 369744 384370 245279 138653 373759 89871 292120 Pyroglutamic acid 2778 5525 6448 2712 3220 3278 3273 2873 2570 2637 Bilirubin 136138 160230 194368 116034 136808 182635 218352 153325 183467 166471 Serotonin 17214 23623 25146 22472 23599 23522 35517 22227 30352 15623 Allantoin 12827120 11354454 10607769 12865698 15065932 12717441 9485970 15063558 8288336 12797151 1-DeoxyCer 18:0;O2/24:1 5861 5518 8478 4605 5787 6258 8696 8548 4790 8572 Cer 18:1;O2/2:0 1590 878 766 851 1435 724 1067 486 734 439 Cer 18:1;O2/4:0 53701 20534 19100 23132 17709 24389 25862 47170 44552 19946 Cer 18:1;O2/8:0 1227 1282 1367 1051 1752 1138 1653 797 1880 1560 Cer 18:1;O2/12:0 67964 58763 91585 88884 109840 57602 76742 10324 70462 39980 Cer 18:1;O2/14:0 2506 6147 12720 5208 16952 5526 5272 6013 3069 5450 Cer 18:1;O2/15:0 9437 8580 15625 13274 9240 7020 8341 567 8250 4341 Cer 18:1;O2/16:1 57043 91923 109694 90993 152268 105978 119734 104459 91748 117550 Cer 18:1;O2/16:0 178599 231756 247872 167399 250395 162127 185539 200561 156066 190399 Cer 18:1;O2/17:1 3102 9055 12942 4062 9764 6507 7116 7282 4446 7703 Cer 18:1;O2/17:0 11335 20426 20025 9645 13665 8404 10110 12176 12076 12464 Cer 18:1;O2/18:2 24769 31181 27471 27956 43705 36683 35271 31621 27353 29696 Cer 18:1;O2/18:1 203471973 238790309 271156858 234922699 345625941 276982289 300940773 280240348 278079192 288522863 Cer 18:1;O2/18:0 3451497 3443948 2736953 2436801 2133355 2009752 2076954 2686064 2366626 2578193 Cer 18:1;O2/19:1 14228 20443 22474 14549 26858 20920 24280 19685 21568 19407 Cer 18:1;O2/20:1 233659 236798 263719 247011 390338 297866 360447 320777 315859 298934 Cer 18:1;O2/20:0 70575 52309 34443 39162 26242 30697 35346 40299 34505 47690 Cer 18:1;O2/22:2 9868 11670 12833 7132 12279 9267 10579 10827 7823 9081 Cer 18:1;O2/22:1 82135 84793 77768 71071 106370 81274 95044 96152 74058 79394 Cer 18:1;O2/22:0 8831 7716 2697 4201 2654 3378 1542 5598 2918 5384 Cer 18:1;O2/23:1 18756 23783 21046 17152 24052 20424 26126 24942 24158 18126 Cer 18:1;O2/24:2 168785 198547 186632 157171 222413 172854 203039 224517 157312 180970 Cer 18:1;O2/24:1 431710 438730 397360 363985 365587 321167 343395 500140 270865 333590 GlcCer 18:1;O2/18:0 333613 287448 267737 264653 241236 255410 243968 299252 214926 279018 GlcCer 18:1;O2/20:0 9408 6142 6541 7173 3946 5090 5456 5683 3040 4205 GlcCer 18:2;O2/22:0 104072 70637 94332 86798 107341 107549 138567 127136 91774 125166 GlcCer 18:1;O2/22:0 23813 15240 14668 22807 16627 17753 19217 23011 15135 29391 GlcCer 18:2;O2/23:0 6428 5523 10583 8296 9730 9207 15739 10642 7915 10553 SM 18:1;O2/14:0 6018 8893 9814 7218 11248 8142 9881 9511 7814 7343 SM 18:1;O2/15:0 27088 75298 70834 26821 59624 43620 71805 33739 39496 34392 SM 18:1;O2/16:1 19900 31089 29305 26841 42937 38445 54511 30285 39902 32321 SM 18:1;O2/16:0 476144 832216 700549 543324 907585 744952 989202 653867 757446 586516 SM 18:1;O2/17:0 28458 73649 59918 33213 53449 43958 62927 39557 56213 35097 SM 18:1;O2/18:1 2062539 3101576 2823180 3008850 4513451 4133650 5816955 3279252 4762588 3399058 SM 18:1;O2/18:0 9116179 14309327 11235765 10139998 12924887 11355557 14032398 10513433 13943125 9309873 SM 18:1;O2/19:1 66214 108580 142859 108672 199173 221505 320983 159818 196879 144361 SM 18:1;O2/19:0 6803 13936 9838 6522 7341 7010 9175 5937 9471 6015 SM 18:1;O2/20:1 67803 77856 79475 76447 130217 104227 165784 86967 114677 95053 SM 18:1;O2/20:0 176335 194626 159974 154909 149255 143990 171581 141695 175302 143619 SM 18:1;O2/22:2 45966 74821 89450 45385 105148 81197 146795 94395 80290 98655 SM 18:1;O2/22:1 59916 52630 63429 43296 87215 69976 113135 67175 60189 71901 SM 18:1;O2/22:0 36588 42453 31782 28102 30696 32686 35868 31076 29223 31437 Phytosphingosine 21008 28408 27803 27783 48255 27359 35905 26502 32473 24926 Sphinganine 191601 256015 218375 190985 304768 189525 295488 262527 277111 251841 C20 Sphinganine 24234 26120 36855 25475 30450 14368 23335 24139 22477 20184 C14 Sphingosine 3058 2890 7080 5711 446 2407 2693 312 2553 1354 C16 Sphingosine 206090 236963 212041 231258 244923 245953 230868 323630 297637 329974 C20 Sphingosine 195819 203696 273288 233305 269324 235275 290381 229431 220281 239684 Sphingosine 909137 1057811 1155892 1066778 1442952 1226685 1655138 1272985 1311778 1277464 7alpha-Hydroxy-4-cholesten-3-one 14948 41985 24262 41977 27330 27083 30352 28587 22022 26088 11-Deoxycortisol 14136 15965 26219 16222 28875 38122 43933 20706 35779 21158 O-Ethylhomoserine 7132 10095 9766 7980 7382 10646 12134 6722 8255 7992 Tridecylamine 12915 8642 6467 7829 23401 8494 8058 6255 7928 8541 N-Acetylisoputreanine 20067 22269 21845 20700 19754 21106 25859 21626 22142 22315 Homoanserine 19722 21681 24691 23054 27119 27547 42173 26633 28390 25886 N,N-dimethylhexadecylamine 56642 47712 70697 71599 30977 44147 35789 25529 37020 28928 C17:1 anandamide 127087 188193 91985 187226 191486 148609 106634 254780 156438 227710 N-palmitoyl glutamine 19650 45626 54741 22540 28288 30647 29275 24369 28382 25662 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Study_Compound_ID MZ RT HMDB_ID Valine-d8 [iSTD] TF02 126.13679999999999 7.59 internal standard Phenylalanine-d8 [iSTD] TF01 174.13679999999999 6.88 internal standard Tyramine QI07888 138.0914654 6.52 HMDB0000306 3-Methoxytyramine QI03812 168.1020614 6.53 HMDB0000022 S-Adenosylhomocysteine QI07142 385.12867640000002 8.2899999999999991 HMDB0000939 S-Adenosylmethionine QI06466 399.14434699999998 10.42 HMDB0001185 N-Acetyl-D-galactosamine QI03187 222.0973697 5.59 HMDB0000853 gamma-Aminobutyric acid TF34 104.0706 7.71 HMDB0000112 Lauroyl diethanolamide QI10614 288.2532483 2.0299999999999998 HMDB0032358 Palmitoleoyl-EA QI01087 298.27393790000002 2.0299999999999998 HMDB0013648 Palmitoyl-EA QI01080 300.28959450000002 2.0299999999999998 HMDB0002100 Linoleoyl-EA QI10612 324.28953289999998 2.0299999999999998 HMDB0012252 Oleoyl-EA QI10618 326.30520380000002 2.0299999999999998 HMDB0002088 Arachidonoyl-EA QI01053 348.28950650000002 2.0299999999999998 HMDB0004080 Eicosanoyl-EA QI01035 356.35209459999999 2.0299999999999998 NA Putrescine QI06705 89.107364689999997 9.64 HMDB0001414 Cadaverine QI06720 103.123048 9.59 HMDB0002322 Tetradecylamine QI08237 214.2530787 6.01 NA 3-Dehydroxycarnitine QI04790 146.1176644 8.99 HMDB0001161 CAR 2:0 QI04754 204.12315709999999 8.89 HMDB0000201 CAR 3:0 QI04636 218.13878339999999 8.56 HMDB0000824 CAR 4:0 QI04530 232.1543666 8.2100000000000009 HMDB0002013 CAR 5:1 QI07237 244.15440530000001 8.06 HMDB0002366 CAR 5:0 QI07281 246.17001279999999 7.96 HMDB0000688 CAR DC3:0 QI06715 248.1128689 9.6 HMDB0002095 CAR 4:0;OH QI04803 248.14924909999999 9.0500000000000007 HMDB0013127 CAR DC4:0 QI04700 262.12845349999998 8.75 HMDB0013133 CAR 5:0;OH QI04762 262.16486090000001 8.92 HMDB0241655 CAR 6:0;OH QI04595 276.18053170000002 8.4 HMDB0013131 CAR DC6:0 QI04567 290.1596715 8.32 HMDB0061677 CAR 8:0;OH TF16 304.21230000000003 7.97 HMDB0061634 CAR 12:0 QI07708 344.27931840000002 7.09 HMDB0002250 CAR 14:1 QI03935 370.29508440000001 6.94 HMDB0002014 CAR 14:0 QI03933 372.31062129999998 6.94 HMDB0005066 CAR 15:2 QI03937 382.29521130000001 6.94 HMDB0241442 CAR 14:0;OH TF11 388.30560000000003 7.39 HMDB0013166 CAR 16:1 QI03884 398.32633019999997 6.85 HMDB0013207 CAR 16:0 QI03875 400.34193809999999 6.82 HMDB0000222 CAR 16:0;OH QI07648 416.33694359999998 7.25 NA CAR 18:1 QI03863 426.35764940000001 6.71 HMDB0005065 CAR 18:0 QI07841 428.37322899999998 6.69 HMDB0000848 CAR 18:1;OH QI04014 442.35269049999999 7.17 HMDB0013339 CAR 18:0;OH QI07689 444.3684556 7.13 HMDB0013154 CAR 20:4 QI07848 448.34207029999999 6.66 HMDB0006455 CAR 20:1 QI07859 454.38908359999999 6.6 HMDB0240746 CAR 20:0 QI07866 456.40475980000002 6.57 HMDB0006460 CAR 22:1 TF13 482.42070000000001 6.53 HMDB0241601 CAR 22:0 TF12 484.4366 6.49 HMDB0062468 CAR 24:1 TF15 510.452 6.46 HMDB0241632 CAR 24:0 TF14 512.46780000000001 6.42 HMDB0240665 DG 36:4 QI00429 634.54039890000001 1.61 HMDB0007248 DG 36:3 TF20 636.55679999999995 1.61 HMDB0007219 DG 36:2 QI11265 638.572003 1.61 HMDB0007218 DG 38:5 QI11273 660.55688569999995 1.61 HMDB0007199 TG 46:2 QI00353 792.70731220000005 1.53 HMDB0010419 LPC 14:0 QI07230 468.3085754 8.07 HMDB0010379 LPC 15:0 QI04430 482.3242103 7.99 HMDB0010381 LPC 16:1 QI04423 494.32448590000001 7.98 HMDB0010383 LPC 16:0 QI07296 496.33997670000002 7.92 HMDB0010382 LPC 17:0 QI04365 510.35581739999998 7.85 HMDB0012108 LPC 18:2 QI04390 520.34020499999997 7.91 HMDB0010386 LPC 18:1 QI07332 522.35585690000005 7.85 HMDB0002815 LPC 18:0 QI04337 524.37153279999995 7.8 HMDB0010384 LPC 20:4 QI04256 544.34030519999999 7.7 HMDB0010395 LPC 20:1 QI04268 550.38742669999999 7.72 HMDB0010391 LPC 20:0 QI07454 552.40327930000001 7.68 HMDB0010390 LPC 22:6 QI04242 568.33978979999995 7.68 HMDB0010404 LPC 22:4 QI04206 572.37095859999999 7.61 HMDB0010401 LPC 22:0 QI07512 580.43389909999996 7.57 HMDB0010398 LPC 24:0 QI04144 608.46555950000004 7.48 HMDB0010405 LPC P-16:0 or LPC O-16:1 QI04420 480.34519829999999 7.97 HMDB0010407 LPC O-16:0 QI07249 482.36072330000002 8.0399999999999991 HMDB0243890 LPC P-18:0 or LPC O-18:1 QI04416 508.37659050000002 7.96 HMDB0013122 PC P-32:0 or PC O-32:1 QI07817 718.57450170000004 6.83 HMDB0007896 PC O-32:0 QI03881 720.59028530000001 6.84 NA PC P-34:2 or PC O-34:3 QI03857 742.57456149999996 6.69 HMDB0011211 PC P-34:1 or PC O-34:2 QI07838 744.59062410000001 6.7 HMDB0011210 PC P-34:0 or PC O-34:1 QI03873 746.60579729999995 6.79 HMDB0011208 PC P-36:4 or PC O-36:5 QI03839 766.57384969999998 6.61 HMDB0011221 PC P-36:3 or PC O-36:4 QI03855 768.58945000000006 6.68 HMDB0011310 PC P-36:2 or PC O-36:3 QI03851 770.60436870000001 6.67 HMDB0011244 PC P-36:1 or PC O-36:2 QI03864 772.62075560000005 6.71 HMDB0011243 PC P-36:0 or PC O-36:1 QI07828 774.63518780000004 6.75 HMDB0008061 PC P-38:6 or PC O-38:7 QI03832 790.57401819999995 6.58 HMDB0011229 PC P-38:5 or PC O-38:6 QI03846 792.58939369999996 6.65 HMDB0011319 PC P-38:4 or PC O-38:5 QI03827 794.60562700000003 6.57 HMDB0011253 PC P-38:3 or PC O-38:4 QI07847 796.62036969999997 6.66 HMDB0011252 PC 28:0 QI07787 678.50620179999999 6.89 HMDB0007866 PC 30:1 QI03883 704.52199840000003 6.85 HMDB0007870 PC 30:0 QI07814 706.53779780000002 6.85 HMDB0007869 PC 31:1 QI07816 718.53783490000001 6.84 HMDB0007936 PC 31:0 QI03880 720.55384460000005 6.84 HMDB0007935 PC 32:2 QI07822 730.53877739999996 6.81 HMDB0007874 PC 32:0 QI03877 734.5689625 6.82 HMDB0007871 PC 33:2 QI07810 744.5530953 6.86 HMDB0007940 PC 33:1 QI07823 746.56987289999995 6.79 HMDB0007938 PC 33:0 QI03874 748.58449800000005 6.8 HMDB0007937 PC 34:4 QI03862 754.53799749999996 6.71 HMDB0007883 PC 34:2 TF24 758.56939999999997 6.76 HMDB0007973 PC 34:1 QI03869 760.58374379999998 6.76 HMDB0007972 PC 35:2 QI07833 772.58343820000005 6.71 HMDB0007946 PC 36:5 QI03853 780.55324450000001 6.67 HMDB0008015 PC 36:4 QI03852 782.56839130000003 6.67 HMDB0007983 LPE 16:1 QI03749 452.27717130000002 6.44 HMDB0011504 LPE 16:0 QI03730 454.2928589 6.41 HMDB0011503 LPE 17:0 QI03698 468.30851710000002 6.37 HMDB0010379 LPE 18:2 QI03721 478.29302039999999 6.39 HMDB0011507 LPE 18:1 QI08008 480.3086773 6.36 HMDB0011475 LPE 18:0 QI03674 482.32426450000003 6.33 HMDB0011130 LPE 20:4 QI03611 502.29310509999999 6.27 HMDB0011517 LPE 20:2 QI03666 506.32454360000003 6.32 HMDB0011513 LPE 22:6 QI08094 526.29327899999998 6.25 HMDB0011526 LPE P-18:0 or LPE O-18:1 QI03596 466.3292285 6.22 HMDB0240598 PE P-34:2 or PE O-34:3 QI03183 700.52725190000001 5.58 HMDB0011343 PE P-34:1 or PE O-34:2 QI08514 702.54284900000005 5.58 HMDB0008952 PE P-34:0 or PE O-34:1 QI03221 704.55912499999999 5.64 HMDB0008950 PE P-36:4 or PE O-36:5 QI08534 724.52744670000004 5.51 HMDB0011410 PE P-36:2 or PE O-36:3 QI08525 728.55890099999999 5.55 HMDB0011441 PE P-36:1 or PE O-36:2 QI03173 730.57537060000004 5.56 HMDB0011439 PE P-38:6 or PE O-38:7 TF26 748.52639999999997 5.5 HMDB0011420 PE P-38:5 or PE O-38:6 QI08543 750.54246239999998 5.48 HMDB0011387 PE P-38:4 or PE O-38:5 QI03153 752.55802559999995 5.48 HMDB0005779 PE P-38:2 or PE O-38:3 QI08528 756.59004619999996 5.54 HMDB0011382 PE P-39:6 or PE O-39:7 QI03151 762.54240760000005 5.47 NA PE P-40:6 or PE O-40:7 QI08556 776.55771370000002 5.45 HMDB0011394 PE P-40:4 or PE O-40:5 QI03154 780.58983599999999 5.48 HMDB0009610 PE 32:1 QI03226 690.50637570000004 5.65 HMDB0008924 PE 34:2 QI08493 716.52234410000005 5.62 HMDB0008928 PE 34:1 QI08489 718.53794489999996 5.63 HMDB0008927 PE 36:4 QI03174 740.5225815 5.56 HMDB0008937 PE 36:3 QI08510 742.53831869999999 5.59 HMDB0009060 PE 36:2 QI08511 744.55388779999998 5.59 HMDB0008994 PE 37:4 QI03172 754.53793389999998 5.55 HMDB0008910 PE 38:6 TF25 764.52200000000005 5.55 HMDB0009102 PE 38:4 QI08532 768.55279970000004 5.53 HMDB0009003 PE 40:6 QI03160 792.5530311 5.51 HMDB0009012 AICAR TF04 259.10359999999997 5.08 HMDB0062179 1-Methylguanine QI08668 166.07248759999999 5.24 HMDB0003282 7-Methylguanine QI03388 166.07252009999999 5.92 HMDB0000897 Deoxyadenosine QI08607 252.10918849999999 5.36 HMDB0000101 3',5' cyclic AMP TF03 330.0598 7.11 HMDB0000058 Adenosine QI03006 268.10390080000002 5.17 HMDB0000050 Inosine QI02966 269.08793600000001 5.03 HMDB0000195 1-Methyladenosine QI07325 282.11956079999999 7.87 HMDB0003331 Guanosine QI03119 284.09879210000003 5.41 HMDB0000133 Xanthosine QI02715 285.08281119999998 4.5 HMDB0000299 5'-Methylthioadenosine QI02669 298.09663339999997 4.4000000000000004 HMDB0001173 2-Methylguanosine QI08667 298.1143841 5.25 HMDB0005862 N2,N2-Dimethylguanosine TF21 312.1302 5.48 HMDB0004824 Xanthine QI09280 153.04081289999999 3.93 HMDB0000292 FAPy-adenine QI07949 154.07245940000001 6.44 HMDB0004816 Ectoine QI06880 143.081647 9.1199999999999992 HMDB0240650 Deoxycytidine QI08132 228.0979791 6.16 HMDB0000014 Thymidine TF30 243.09790000000001 3.15 HMDB0000273 Cytidine QI03469 244.09280889999999 6.03 HMDB0000089 5-Methylcytidine QI03357 258.10842350000001 5.87 HMDB0000982 N4-Acetylcytidine QI02684 286.10317750000002 4.4400000000000004 HMDB0005923 Cytosine TF19 112.0508 6.34 HMDB0000630 5-Methylcytosine QI03556 126.0663737 6.14 HMDB0002894 Thiamine QI06574 265.11169189999998 10.02 HMDB0000235 Glycine TF35 76.039400000000001 8.08 HMDB0000123 Alanine QI07279 90.055008020000002 7.96 HMDB0000161 beta-Alanine QI04505 90.055003690000007 8.16 HMDB0000056 Sarcosine QI07073 90.054997020000002 8.4700000000000006 HMDB0000271 Serine QI07343 106.0499956 7.82 HMDB0000187 Proline QI07143 116.0708715 8.2899999999999991 HMDB0000162 N-Acetylglycine TF38 118.0501 4.55 HMDB0000532 Guanidoacetic acid QI07259 118.06139930000001 8.02 HMDB0000128 Valine TF45 118.0865 7.57 HMDB0000883 Betaine QI04846 118.0864981 9.18 HMDB0000043 Threonine QI04278 120.0659282 7.73 HMDB0000167 Pipecolic acid QI07187 130.0864344 8.17 HMDB0000716 N-Acetylalanine QI02350 132.06576390000001 3.84 HMDB0000766 Hydroxyproline QI04450 132.06577680000001 8.0399999999999991 HMDB0000725 Creatine QI04625 132.07690339999999 8.4700000000000006 HMDB0000064 Leucine TF37 132.10210000000001 7.12 HMDB0000687 Isoleucine TF36 132.10210000000001 7.25 HMDB0000172 Alloisoleucine QI04583 132.10213160000001 8.35 HMDB0000557 Asparagine QI07227 133.0610174 8.07 HMDB0000168 Ornithine TF23 133.0975 9.6 HMDB0000214 Aspartic acid QI04449 134.04498169999999 8.0399999999999991 HMDB0000191 Proline betaine QI04938 144.1020527 9.4600000000000009 HMDB0004827 4-Guanidinobutanoic acid QI07588 146.09254129999999 7.4 HMDB0003464 Glutamine QI07179 147.07647119999999 8.19 HMDB0000641 Lysine QI04985 147.11290399999999 9.61 HMDB0000182 Glutamic acid QI04282 148.06052020000001 7.73 HMDB0000148 Methionine QI07672 150.0584781 7.19 HMDB0000696 Histidine QI04975 156.0769468 9.59 HMDB0000177 2-Aminooctanoic acid QI07871 160.1333372 6.56 HMDB0000991 N(6)-Methyllysine QI06610 161.1286178 9.93 HMDB0002038 Methionine sulfoxide QI04712 166.05347399999999 8.7799999999999994 HMDB0002005 Phenylalanine TF40 166.0865 6.87 HMDB0000159 3-Methylhistidine QI05140 170.09256970000001 10.11 HMDB0000479 N-Acetylleucine QI09774 174.1126864 2.86 HMDB0011756 N-Acetylornithine QI04638 175.1078832 8.59 HMDB0003357 Arginine QI06772 175.11908990000001 9.39 HMDB0000517 N(6),N(6)-Dimethyl-lysine QI05260 175.1443074 10.54 HMDB0013287 N-Acetylaspartic acid QI02689 176.05545889999999 4.46 HMDB0000812 Tyrosine TF44 182.08150000000001 6.96 HMDB0000158 N-Acetylglutamine QI07706 189.08719389999999 7.1 HMDB0006029 Homoarginine QI04932 189.13483249999999 9.43 HMDB0000670 Targinine QI04983 189.13481150000001 9.61 HMDB0029416 N-6-Trimethyllysine QI06158 189.1599502 11.56 HMDB0001325 N-Acetylglutamic acid QI08983 190.0711914 4.5 HMDB0001138 N-Acetylmethionine QI02199 192.0691234 3.59 HMDB0011745 N-Acetylhistidine TF22 198.08750000000001 8.64 HMDB0032055 Symmetric dimethyl-arginine TF41 203.15049999999999 9.92 HMDB0003334 Dimethylarginine TF32 203.1506 10.02 HMDB0001539 Tryptophan TF43 205.09729999999999 6.65 HMDB0000929 N-Acetylarginine QI04572 217.1296634 8.33 HMDB0004620 Pantothenic acid QI02042 220.11800740000001 3.18 HMDB0000210 Cystine QI04865 241.0311729 9.24 HMDB0000192 N-Acetyl-D-tryptophan QI09731 247.10781850000001 2.94 HMDB0013713 Argininosuccinic acid TF07 291.1302 9.48 HMDB0000052 C-Glycosyltryptophan QI04043 367.149745 7.24 HMDB0240296 Ala-Ala QI07165 161.09220830000001 8.2200000000000006 HMDB0003459 Pro-Ala QI07111 187.10791939999999 8.3800000000000008 HMDB0029010 Leu-Gly QI04152 189.12359319999999 7.51 HMDB0028929 Ala-Thr QI07136 191.10280059999999 8.3000000000000007 HMDB0028697 Glu-Gly QI07108 205.0822608 8.3800000000000008 HMDB0028819 Pro-Pro QI06887 213.12356800000001 9.09 HMDB0011180 Pro-Val QI04364 215.1391835 7.85 HMDB0029030 Ala-Lys QI05139 218.15007130000001 10.1 HMDB0028692 Ala-His QI05119 227.11399270000001 10.02 HMDB0028689 Ile-Pro QI07497 229.15476179999999 7.6 HMDB0011174 Gly-Arg QI05051 232.140488 9.8000000000000007 HMDB0028835 Val-Asp QI07453 233.11323329999999 7.68 HMDB0029123 Asp-Val QI04486 233.11326969999999 8.09 HMDB0028766 Arg-Ala QI05033 246.1561567 9.75 HMDB0028702 Ser-Arg QI04982 262.15113009999999 9.6 HMDB0029033 Glu-Gln QI04649 276.11887840000003 8.6199999999999992 HMDB0028817 Phe-Leu QI07973 279.17031739999999 6.39 NA Tyr-Leu QI03777 295.1651344 6.47 HMDB0029109 Tyr-Lys QI06838 310.17596140000001 9.2200000000000006 HMDB0029110 Carnosine QI06724 227.1139991 9.58 HMDB0000033 Anserine TF06 241.12970000000001 10.77 HMDB0000194 N-Acetylputrescine QI07200 131.1181522 8.1199999999999992 HMDB0002064 N1-Acetylspermidine QI05143 188.17595900000001 10.11 HMDB0001276 sn-Glycero-3-phosphocholine QI06379 258.10991309999997 10.72 HMDB0000086 Phosphoethanolamine QI04928 142.0265368 9.4 HMDB0000224 Hypotaurine QI07191 110.0272337 8.16 HMDB0000965 Taurine QI08107 126.022181 6.21 HMDB0000251 Diethanolamine QI04266 106.0863306 7.71 HMDB0004437 Trimethylamine N-oxide TF42 76.075800000000001 8.3800000000000008 HMDB0000925 Histamine QI04939 112.0871374 9.4700000000000006 HMDB0000870 1-Methylhistamine QI05078 126.1028955 9.9 HMDB0000898 Triethanolamine QI04392 150.11259709999999 7.91 HMDB0032538 Tributylamine QI08287 186.22184279999999 5.94 NA Carnitine QI04797 162.1124829 9.0299999999999994 HMDB0000062 Choline QI07067 104.1069687 8.51 HMDB0000097 Acetylcholine QI04428 146.1176591 7.99 HMDB0000895 Choline phosphate QI05626 184.0735024 12.23 HMDB0001565 N,N-Dicyclohexylamine QI08158 182.1905543 6.12 NA Methylguanidine QI07745 74.071379910000005 6.97 HMDB0001522 Agmatine TF05 131.12950000000001 9.42 HMDB0001432 Myo-inositol QI08026 203.05281020000001 6.33 HMDB0000211 Creatinine QI03847 114.0664604 6.66 HMDB0000562 Biliverdin QI10748 583.25530760000004 2 HMDB0001008 Urocanic acid QI08867 139.05034130000001 4.74 HMDB0000301 Imidazolepropionic acid QI07495 141.06596110000001 7.61 HMDB0002271 Methylimidazoleacetic acid QI06891 141.0659493 9.07 HMDB0002820 Heme QI02951 616.17632819999994 4.93 HMDB0003178 Biopterin TF09 238.09350000000001 5.32 HMDB0000468 N1-Methyl-2-pyridone-5-carboxamide QI02717 153.06596099999999 4.5 HMDB0004193 Niacinamide QI02435 123.0555691 3.99 HMDB0001406 1-Methyl nicotinamide QI04617 137.07104530000001 8.4499999999999993 HMDB0000699 Trigonelline QI06889 138.0550753 9.08 HMDB0000875 Pyroglutamic acid QI07709 130.05014299999999 7.09 HMDB0000267 Bilirubin TF08 585.27160000000003 1.71 HMDB0000054 Serotonin QI03748 177.10242589999999 6.44 HMDB0000259 Allantoin TF31 159.0514 3.79 HMDB0000462 1-DeoxyCer 18:0;O2/24:1 QI11244 634.64997229999994 1.64 NA Cer 18:1;O2/2:0 QI00554 342.3004899 1.72 NA Cer 18:1;O2/4:0 QI01051 370.3314499 2.0299999999999998 NA Cer 18:1;O2/8:0 QI11175 426.39416770000003 1.71 NA Cer 18:1;O2/12:0 TF17 482.45740000000001 1.69 HMDB0004947 Cer 18:1;O2/14:0 QI00786 510.48871209999999 1.91 HMDB0011773 Cer 18:1;O2/15:0 QI00480 524.50442720000001 1.67 HMDB0240685 Cer 18:1;O2/16:1 QI00767 536.50443270000005 1.9 HMDB0240686 Cer 18:1;O2/16:0 QI10930 538.52013239999997 1.9 HMDB0004949 Cer 18:1;O2/17:1 QI00764 550.52001959999996 1.89 NA Cer 18:1;O2/17:0 QI10937 552.5354476 1.89 HMDB0240678 Cer 18:1;O2/18:2 QI00752 562.51917649999996 1.88 NA Cer 18:1;O2/18:1 TF18 564.53530000000001 1.88 HMDB0004948 Cer 18:1;O2/18:0 QI10941 566.55067919999999 1.88 HMDB0004950 Cer 18:1;O2/19:1 QI00749 578.55062169999997 1.87 NA Cer 18:1;O2/20:1 QI10954 592.56655409999996 1.86 NA Cer 18:1;O2/20:0 QI10948 594.58244669999999 1.87 HMDB0004951 Cer 18:1;O2/22:2 QI00734 618.58165610000003 1.85 NA Cer 18:1;O2/22:1 QI00714 620.59730850000005 1.84 HMDB0011775 Cer 18:1;O2/22:0 QI00729 622.61293339999997 1.85 HMDB0004952 Cer 18:1;O2/23:1 QI10980 634.61305560000005 1.84 NA Cer 18:1;O2/24:2 QI10983 646.61318370000004 1.84 HMDB0240680 Cer 18:1;O2/24:1 QI00709 648.62908860000005 1.84 HMDB0004953 GlcCer 18:1;O2/18:0 QI10568 728.60368879999999 2.04 HMDB0004972 GlcCer 18:1;O2/20:0 QI10506 756.63454909999996 2.04 HMDB0004973 GlcCer 18:2;O2/22:0 QI10566 782.65015119999998 2.04 NA GlcCer 18:1;O2/22:0 QI01138 784.66493539999999 2.04 HMDB0004974 GlcCer 18:2;O2/23:0 QI01141 796.66581450000001 2.04 NA SM 18:1;O2/14:0 QI07584 675.54283180000004 7.41 HMDB0012097 SM 18:1;O2/15:0 TF27 689.55870000000004 7.38 HMDB0240608 SM 18:1;O2/16:1 QI04078 701.55883329999995 7.35 HMDB0240613 SM 18:1;O2/16:0 QI04070 703.57453650000002 7.32 HMDB0010169 SM 18:1;O2/17:0 QI04061 717.59052559999998 7.29 NA SM 18:1;O2/18:1 QI07644 729.59054079999999 7.26 HMDB0012101 SM 18:1;O2/18:0 QI04049 731.60554260000004 7.26 HMDB0001348 SM 18:1;O2/19:1 TF28 743.60550000000001 7.25 NA SM 18:1;O2/19:0 QI04041 745.62229630000002 7.22 NA SM 18:1;O2/20:1 QI07670 757.62101710000002 7.19 HMDB0240610 SM 18:1;O2/20:0 QI04023 759.6370283 7.19 HMDB0012102 SM 18:1;O2/22:2 TF29 783.63739999999996 7.16 HMDB0240669 SM 18:1;O2/22:1 QI04007 785.65263679999998 7.13 HMDB0012104 SM 18:1;O2/22:0 QI03996 787.66834370000004 7.11 HMDB0012103 Phytosphingosine QI08231 318.30003850000003 6.03 HMDB0004610 Sphinganine QI03406 302.3051122 5.94 HMDB0000269 C20 Sphinganine QI03400 330.33641219999998 5.93 NA C14 Sphingosine QI03565 244.2270949 6.16 NA C16 Sphingosine QI03354 272.25837819999998 5.87 NA C20 Sphingosine QI03351 328.32079390000001 5.86 NA Sphingosine QI03390 300.28950329999998 5.92 HMDB0000252 7alpha-Hydroxy-4-cholesten-3-one QI10964 401.34131760000002 1.85 HMDB0001993 11-Deoxycortisol QI10436 347.22154619999998 2.06 HMDB0000015 O-Ethylhomoserine QI04209 148.0969284 7.62 NA Tridecylamine QI08286 200.23752540000001 5.94 NA N-Acetylisoputreanine QI07120 203.13923460000001 8.33 HMDB0094713 Homoanserine QI06318 255.14522439999999 10.87 HMDB0005767 N,N-dimethylhexadecylamine QI03290 270.31549180000002 5.77 NA C17:1 anandamide TF10 312.28949999999998 2.0299999999999998 NA N-palmitoyl glutamine QI02334 385.30592689999997 3.82 HMDB0241924 METABOLITES_END #END