#METABOLOMICS WORKBENCH Vdudeja_20230818_151309 DATATRACK_ID:4229 STUDY_ID:ST002823 ANALYSIS_ID:AN004603 PROJECT_ID:PR001765 VERSION 1 CREATED_ON August 21, 2023, 1:11 pm #PROJECT PR:PROJECT_TITLE Smoking Induced Gut Microbial Dysbiosis Mediates Cancer Progression Through PR:PROJECT_TITLE Adaptive Immune System Modulation PR:PROJECT_SUMMARY Cigarette smoke exposure (CSE), either through active smoking or secondhand PR:PROJECT_SUMMARY smoke, increases the risk for a plethora of cancers. Studies have estimated that PR:PROJECT_SUMMARY one in three cancer deaths is associated with cigarette smoke exposure. However, PR:PROJECT_SUMMARY despite ongoing research on numerous carcinogens, the underlying mechanism(s) PR:PROJECT_SUMMARY remain poorly understood. Recent evidence indicates that the gut microbiome can PR:PROJECT_SUMMARY influence cancer progression by immune system modulation. Since CSE alters the PR:PROJECT_SUMMARY gut microbiome, we hypothesized that the gut microbiome serves as a causative PR:PROJECT_SUMMARY link between smoking and cancer growth. Through a combination of rigorous PR:PROJECT_SUMMARY syngeneic animal models and fecal microbiome transplantation studies, we PR:PROJECT_SUMMARY establish an essential role for smoke-induced dysbiosis in cancer growth. Using PR:PROJECT_SUMMARY Flow cytometric analysis of tumor specimens and experiments in Rag 1 KO and CD8 PR:PROJECT_SUMMARY KO, we demonstrate that smoke induced tumor growth requires functional adaptive PR:PROJECT_SUMMARY immunity. We further characterized the unique gut microbial and metabolomic PR:PROJECT_SUMMARY signatures induced by CSE using high throughput 16s rRNA sequencing and mass PR:PROJECT_SUMMARY spectrometric techniques. Finally, utilizing gut microbial ablation strategies PR:PROJECT_SUMMARY with broad and narrow-spectrum antibiotics, we demonstrate the reversal of PR:PROJECT_SUMMARY phenotypic effects of CSE and present a novel actionable target to mitigate PR:PROJECT_SUMMARY CSE-induced tumor promotion. PR:INSTITUTE University of Alabama, Birmingham PR:LAST_NAME Vikas PR:FIRST_NAME Dudeja PR:ADDRESS 1808 7th Avenue South Boshell Building- Suite 573 Birmingham, AL 35294 PR:EMAIL vdudeja@uabmc.edu PR:PHONE 205 975 7836 #STUDY ST:STUDY_TITLE Smoking Induced Gut Microbial Dysbiosis Mediates Cancer Progression Through ST:STUDY_TITLE Adaptive Immune System Modulation ST:STUDY_SUMMARY Cigarette smoke exposure (CSE), either through active smoking or secondhand ST:STUDY_SUMMARY smoke, increases the risk for a plethora of cancers. Studies have estimated that ST:STUDY_SUMMARY one in three cancer deaths is associated with cigarette smoke exposure. However, ST:STUDY_SUMMARY despite ongoing research on numerous carcinogens, the underlying mechanism(s) ST:STUDY_SUMMARY remain poorly understood. Recent evidence indicates that the gut microbiome can ST:STUDY_SUMMARY influence cancer progression by immune system modulation. Since CSE alters the ST:STUDY_SUMMARY gut microbiome, we hypothesized that the gut microbiome serves as a causative ST:STUDY_SUMMARY link between smoking and cancer growth. Through a combination of rigorous ST:STUDY_SUMMARY syngeneic animal models and fecal microbiome transplantation studies, we ST:STUDY_SUMMARY establish an essential role for smoke-induced dysbiosis in cancer growth. Using ST:STUDY_SUMMARY Flow cytometric analysis of tumor specimens and experiments in Rag 1 KO and CD8 ST:STUDY_SUMMARY KO, we demonstrate that smoke induced tumor growth requires functional adaptive ST:STUDY_SUMMARY immunity. We further characterized the unique gut microbial and metabolomic ST:STUDY_SUMMARY signatures induced by CSE using high throughput 16s rRNA sequencing and mass ST:STUDY_SUMMARY spectrometric techniques. Finally, utilizing gut microbial ablation strategies ST:STUDY_SUMMARY with broad and narrow-spectrum antibiotics, we demonstrate the reversal of ST:STUDY_SUMMARY phenotypic effects of CSE and present a novel actionable target to mitigate ST:STUDY_SUMMARY CSE-induced tumor promotion. ST:INSTITUTE University of Alabama, Birmingham ST:DEPARTMENT Department of Surgery ST:LAST_NAME Vikas ST:FIRST_NAME Dudeja ST:ADDRESS 1808 7th Avenue South Boshell Building- Suite 573 Birmingham, AL 35294 ST:EMAIL vdudeja@uabmc.edu ST:PHONE 205 975 7836 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 #FACTORS #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 - 12-5-2020Ctrl1- Fecal Factors:Control RAW_FILE_NAME=Ctrl1- Fecal.wiff SUBJECT_SAMPLE_FACTORS - 12-5-2020Ctrl2- Fecal Factors:Control RAW_FILE_NAME=Ctrl2- Fecal.wiff SUBJECT_SAMPLE_FACTORS - 12-5-2020Ctrl3- Fecal Factors:Control RAW_FILE_NAME=Ctrl3- Fecal.wiff SUBJECT_SAMPLE_FACTORS - 12-5-2020Ctrl4- Fecal Factors:Control RAW_FILE_NAME=Ctrl4- Fecal.wiff SUBJECT_SAMPLE_FACTORS - 12-5-2020Ctrl5- Fecal Factors:Control RAW_FILE_NAME=Ctrl5- Fecal.wiff SUBJECT_SAMPLE_FACTORS - 12-5-2020Ctrl6- Fecal Factors:Control RAW_FILE_NAME=Ctrl6- Fecal.wiff SUBJECT_SAMPLE_FACTORS - 12-5-2020ctrl7- Fecal Factors:Control RAW_FILE_NAME=ctrl7- Fecal.wiff SUBJECT_SAMPLE_FACTORS - 12-5-2020Ctrl8- Fecal Factors:Control RAW_FILE_NAME=Ctrl8- Fecal.wiff SUBJECT_SAMPLE_FACTORS - 12-5-2020Ctr9- Fecal Factors:Control RAW_FILE_NAME=Ctr9- Fecal.wiff SUBJECT_SAMPLE_FACTORS - 12-5-2020 Ctrl10- Fecal Factors:Control RAW_FILE_NAME=Ctrl10- Fecal.wiff SUBJECT_SAMPLE_FACTORS - 12-5-2020Smoke 1- Fecal Factors:Smoke RAW_FILE_NAME=Smoke 1- Fecal.wiff SUBJECT_SAMPLE_FACTORS - 12-5-2020Smoke 2- Fecal Factors:Smoke RAW_FILE_NAME=Smoke 2- Fecal.wiff SUBJECT_SAMPLE_FACTORS - 12-5-2020Smoke3- Fecal Factors:Smoke RAW_FILE_NAME=Smoke3- Fecal.wiff SUBJECT_SAMPLE_FACTORS - 12-5-2020Smoke 4- Fecal Factors:Smoke RAW_FILE_NAME=Smoke4- Fecal.wiff SUBJECT_SAMPLE_FACTORS - 12-5-2020Smoke5- Fecal Factors:Smoke RAW_FILE_NAME=Smoke5- Fecal.wiff SUBJECT_SAMPLE_FACTORS - 12-5-2020Smoke 6- Fecal Factors:Smoke RAW_FILE_NAME=Smoke 6- Fecal.wiff SUBJECT_SAMPLE_FACTORS - 12-5-2020Smoke 7- Fecal Factors:Smoke RAW_FILE_NAME=Smoke 7- Fecal.wiff SUBJECT_SAMPLE_FACTORS - 12-5-2020Smoke 8- Fecal Factors:Smoke RAW_FILE_NAME=Smoke 8- Fecal.wiff SUBJECT_SAMPLE_FACTORS - 12-5-2020Smoke 9- Fecal Factors:Smoke RAW_FILE_NAME=Smoke 9- Fecal.wiff SUBJECT_SAMPLE_FACTORS - 12-5-2020Smoke 10- Fecal Factors:Smoke RAW_FILE_NAME=Smoke 10- Fecal.wiff SUBJECT_SAMPLE_FACTORS - 12-5-2020Smoke11- Fecal Factors:Smoke RAW_FILE_NAME=Smoke11- Fecal.wiff SUBJECT_SAMPLE_FACTORS - 12-5-2020Smoke+ Neo1- Fecal Factors:Smoke+ Neo RAW_FILE_NAME=Smoke+ Neo1- Fecal.wiff SUBJECT_SAMPLE_FACTORS - 12-5-2020smoke+ Neo2- Fecal Factors:Smoke+ Neo RAW_FILE_NAME=smoke+ Neo2- Fecal.wiff SUBJECT_SAMPLE_FACTORS - 12-5-2020Smoke+Neo3- Fecal Factors:Smoke+ Neo RAW_FILE_NAME=Smoke+Neo3- Fecal.wiff SUBJECT_SAMPLE_FACTORS - 12-5-2020Smoke+Neo4- Fecal Factors:Smoke+ Neo RAW_FILE_NAME=Smoke+Neo4- Fecal.wiff SUBJECT_SAMPLE_FACTORS - 12-5-2020Smoke+Neo5- Fecal Factors:Smoke+ Neo RAW_FILE_NAME=Smoke+Neo5- Fecal.wiff SUBJECT_SAMPLE_FACTORS - 12-5-2020Smoke+ neo6- Fecal Factors:Smoke+ Neo RAW_FILE_NAME=Smoke+ neo6- Fecal.wiff SUBJECT_SAMPLE_FACTORS - 12-5-2020Smoke+Neo7- Fecal Factors:Smoke+ Neo RAW_FILE_NAME=Smoke+Neo7- Fecal.wiff SUBJECT_SAMPLE_FACTORS - 12-5-2020Smoke+ neo8- Fecal Factors:Smoke+ Neo RAW_FILE_NAME=Smoke+ neo8- Fecal.wiff #COLLECTION CO:COLLECTION_SUMMARY Animal models All animal experiments were performed in accordance with the CO:COLLECTION_SUMMARY Institutional Animal Care and Use Committee (IACUC) guidelines. C57BL/6J WT CO:COLLECTION_SUMMARY mice, A/J mice (stock no. 000646), Rag1 KO mice (B6.129S7-Rag1tm1Mom/J), as well CO:COLLECTION_SUMMARY as CD8 KO mice (B6.129S2-Cd8atm1Mak/J), were purchased from the Jackson CO:COLLECTION_SUMMARY Laboratory (Bar Harbor, ME). LSL- KrasG12D Pdx-1cre (KC) mice were generated in CO:COLLECTION_SUMMARY our breeding facility by crossing LSL-KrasG12D mice with Pdx-1cre mice. Mice CO:COLLECTION_SUMMARY were backcrossed to the C57BL/6J genetic background for at least ten CO:COLLECTION_SUMMARY generations. Experiments with WT, Rag1 KO, and CD8 KO were performed with only CO:COLLECTION_SUMMARY female mice 6-8 weeks old. Mice of both sexes were recruited for KC mice CO:COLLECTION_SUMMARY experiments. Littermates of genetically modified mice were used as controls. CO:COLLECTION_SUMMARY Animal experiments were authorized and overseen by the Institutional Animal Care CO:COLLECTION_SUMMARY and Use Committee (IACUC) in accordance with approved protocols. Smoke chamber CO:COLLECTION_SUMMARY The TE-10 smoking machine (Teague Enterprises) was used to provide smoke CO:COLLECTION_SUMMARY exposure to mice. Humidified 3R4F cigarettes (Tobacco Health Research Institute, CO:COLLECTION_SUMMARY Lexington, KY) were used to provide cigarette smoke. A smoke concentration of CO:COLLECTION_SUMMARY 150-200 mg/mm3 was maintained inside the chamber, and carbon monoxide levels CO:COLLECTION_SUMMARY were monitored. Mice were acclimated to cigarette smoke during the first week CO:COLLECTION_SUMMARY through incremental increases in smoke exposure from 1 hour/day to 4 hours/day. CO:COLLECTION_SUMMARY This level of exposure was continued for the duration of the experiment. Mice CO:COLLECTION_SUMMARY kept in a compartment with room air flow instead of cigarette smoke were used as CO:COLLECTION_SUMMARY controls. CO:SAMPLE_TYPE Feces #TREATMENT TR:TREATMENT_SUMMARY In vivo experiments For smoke chamber experiments with WT mice, CD8 KO mice, or TR:TREATMENT_SUMMARY Rag1 KO mice, 6–8-week-old female mice were utilized. For antibiotic depletion TR:TREATMENT_SUMMARY experiments (using WT mice or Rag1 KO mice), mice were divided into four TR:TREATMENT_SUMMARY conditions - control mice, mice with smoke exposure alone, mice receiving TR:TREATMENT_SUMMARY antibiotics alone, and mice receiving smoke exposure along with antibiotics. The TR:TREATMENT_SUMMARY pre-exposure phase was four weeks, during which mice were given cigarette smoke TR:TREATMENT_SUMMARY and/or antibiotics. Subsequently, the mice were challenged with subcutaneous TR:TREATMENT_SUMMARY tumors. We first standardized the pre-exposure and found that four weeks was TR:TREATMENT_SUMMARY sufficient time to develop the tumor-promoting effects of smoke. The TR:TREATMENT_SUMMARY broad-spectrum antibiotics included - vancomycin (100 mg/kg), ampicillin (200 TR:TREATMENT_SUMMARY mg/kg), metronidazole (200 mg/kg), neomycin (200 mg/kg), and amphotericin (1 TR:TREATMENT_SUMMARY mg/kg). Ampicillin was dissolved in drinking water, while the rest were TR:TREATMENT_SUMMARY dissolved in phosphate buffered saline (PBS) and administered as a daily gavage TR:TREATMENT_SUMMARY of 0.5 ml solution. Smoke and antibiotics were continued after the tumor TR:TREATMENT_SUMMARY challenge until the experimental endpoint. For the CD8 KO mice experiment, WT TR:TREATMENT_SUMMARY and CD8 KO mice were divided into two groups each - control mice and TR:TREATMENT_SUMMARY smoke-exposed mice. The smoke pre-exposure period lasted four weeks, after which TR:TREATMENT_SUMMARY mice were implanted with subcutaneous tumors. Exposure was continued until the TR:TREATMENT_SUMMARY endpoint. To test the effects of antibiotics in a therapeutic setting, WT mice TR:TREATMENT_SUMMARY were initially divided into control mice and smoke-exposed mice. After the TR:TREATMENT_SUMMARY pre-exposure phase, mice were challenged with subcutaneous tumors, which were TR:TREATMENT_SUMMARY allowed to grow for two weeks. Both groups were further randomized into two TR:TREATMENT_SUMMARY groups - one without an antibiotic cocktail and one with an antibiotic cocktail. TR:TREATMENT_SUMMARY For NNK experiments, a setup similar to the smoke chamber was used. Four groups TR:TREATMENT_SUMMARY were as followed - control mice, NNK alone, antibiotics alone, and NNK and TR:TREATMENT_SUMMARY antibiotics. NNK pre-exposure was given for six weeks through weekly injections, TR:TREATMENT_SUMMARY i.p 100 mg/kg. This was followed by a subcutaneous tumor challenge, and TR:TREATMENT_SUMMARY injections of NNK were continued until the endpoint. For the KC mice experiment, TR:TREATMENT_SUMMARY 8-week-old KC mice were randomly recruited to each of the four groups mentioned TR:TREATMENT_SUMMARY above. Weekly NNK injections and/or antibiotic cocktails were given for eight TR:TREATMENT_SUMMARY weeks, after which mice were euthanized at four months of age. A/J mice were TR:TREATMENT_SUMMARY given weekly NNK injections from 6-10 weeks of age, euthanized at 28 weeks, and TR:TREATMENT_SUMMARY individual tumor nodules in the lungs were recorded. For FMT experiments, stool TR:TREATMENT_SUMMARY was collected from cancer-naive control or smoke-exposed mice (4 weeks). The TR:TREATMENT_SUMMARY pellets were homogenized and dissolved in PBS. Eight to ten pellets were TR:TREATMENT_SUMMARY dissolved in 10 ml PBS. The mixture was then centrifuged at 500g for 5 minutes TR:TREATMENT_SUMMARY to allow fecal matter to settle down. The supernatant was collected and TR:TREATMENT_SUMMARY administered to recipient mice through oral gavage (500uL). The recipient mice TR:TREATMENT_SUMMARY were prepared for FMT by ablating their gut microbiome using a broad-spectrum TR:TREATMENT_SUMMARY antibiotic cocktail, as already described, for two weeks. A washout period of TR:TREATMENT_SUMMARY one week was allowed for the antibiotics to flush out of the system. This was TR:TREATMENT_SUMMARY followed by biweekly oral gavage of fecal microbiome from control or TR:TREATMENT_SUMMARY smoke-exposed mice for four weeks to reconstitute the microbiome. Subcutaneous TR:TREATMENT_SUMMARY tumors were then implanted, and biweekly FMT continued until the endpoint. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Metabolites were extracted from fecal, and mouse liver pool was used as a SP:SAMPLEPREP_SUMMARY quality control and followed the extraction procedure described. Briefly, 10 mg SP:SAMPLEPREP_SUMMARY of tissue was used for the metabolic extraction. The extraction step starts with SP:SAMPLEPREP_SUMMARY addition of 750μL ice-cold methanol: water (4:1) containing 20μL spiked SP:SAMPLEPREP_SUMMARY internal standards (ISTDs). After homogenization, ice-cold chloroform and water SP:SAMPLEPREP_SUMMARY were added in a 3:1 ratio for a final proportion of 4:3:2 SP:SAMPLEPREP_SUMMARY methanol:chloroform:water. The organic and aqueous layers were collected, dried, SP:SAMPLEPREP_SUMMARY and resuspended in methanol: water (1:1). The extract was deproteinized using a SP:SAMPLEPREP_SUMMARY 3 kDa molecular filter and the filtrate was dried under vacuum. The dried SP:SAMPLEPREP_SUMMARY extracts were re-suspended in 100 μL of injection solvent composed of 1:1 SP:SAMPLEPREP_SUMMARY methanol: water and subjected to LC-MS. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY HILIIC-Positive CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME ABSciex 5600 Triple TOF CH:COLUMN_NAME Waters XBridge Amide (100 x 4.6mm,3.5um) CH:SOLVENT_A 100% water; 0.1% formic acid CH:SOLVENT_B 100% acetonitrile; 0.1% formic acid CH:FLOW_GRADIENT Gradient flow: 0-3 min 85% B; 3-12 min 30% B, 12-15 min 2% B, 16 min 95% B, CH:FLOW_GRADIENT followed by re-equilibration till the end of the gradient 23 min to the initial CH:FLOW_GRADIENT starting condition of 85% B. CH:FLOW_RATE 0.4 mL/min CH:COLUMN_TEMPERATURE 37 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME ABI Sciex 5600 TripleTOF MS:INSTRUMENT_TYPE Triple TOF MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS For metabolomics, 5μL of the metabolite extract was injected into a 3.5μm MS:MS_COMMENTS particle 4.6×150mm X bridge amide column which heats to 60°C. 0.1% formic acid MS:MS_COMMENTS in water as solvent-A and acetonitrile as solvent-B in positive ionization and MS:MS_COMMENTS 20mM ammonium acetate in 95% water; 5% acetonitrile and 100% acetonitrile as MS:MS_COMMENTS solvent-B in negative ionization mode. The flow rate used for these experiments MS:MS_COMMENTS was 0.4 mL/min. The data acquisition of each sample was performed in both MS:MS_COMMENTS positive and negative ionization modes using a TripleTOF 5600 equipped with a MS:MS_COMMENTS Turbo VTM ion source. The instrument performed one TOF MS survey scan (150ms) MS:MS_COMMENTS and 15 MS/MS scans with a total duty cycle time of 2.4s. The mass range in both MS:MS_COMMENTS modes was 50–1200 m/z. We controlled the acquisition in both MS and MS/MS MS:MS_COMMENTS spectra by data-dependent acquisition function of the Analyst TF software (AB MS:MS_COMMENTS Sciex, Concord, Canada). Rolling collision energy spread was set whereby the MS:MS_COMMENTS software calculated the collision energy value to be applied as a function of MS:MS_COMMENTS m/z. Mass accuracy was maintained by the use of an automated calibrant delivery MS:MS_COMMENTS system interfaced to the second inlet of the Duo Spray source. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS area MS_METABOLITE_DATA_START Samples 12-5-2020Ctrl1- Fecal 12-5-2020Ctrl2- Fecal 12-5-2020Ctrl3- Fecal 12-5-2020Ctrl4- Fecal 12-5-2020Ctrl5- Fecal 12-5-2020Ctrl6- Fecal 12-5-2020ctrl7- Fecal 12-5-2020Ctrl8- Fecal 12-5-2020Ctr9- Fecal 12-5-2020 Ctrl10- Fecal 12-5-2020Smoke 1- Fecal 12-5-2020Smoke 2- Fecal 12-5-2020Smoke3- Fecal 12-5-2020Smoke 4- Fecal 12-5-2020Smoke5- Fecal 12-5-2020Smoke 6- Fecal 12-5-2020Smoke 7- Fecal 12-5-2020Smoke 8- Fecal 12-5-2020Smoke 9- Fecal 12-5-2020Smoke 10- Fecal 12-5-2020Smoke11- Fecal 12-5-2020Smoke+ Neo1- Fecal 12-5-2020smoke+ Neo2- Fecal 12-5-2020Smoke+Neo3- Fecal 12-5-2020Smoke+Neo4- Fecal 12-5-2020Smoke+Neo5- Fecal 12-5-2020Smoke+ neo6- Fecal 12-5-2020Smoke+Neo7- Fecal 12-5-2020Smoke+ neo8- Fecal Factors Factors:Control Factors:Control Factors:Control Factors:Control Factors:Control Factors:Control Factors:Control Factors:Control Factors:Control Factors:Control Factors:Smoke Factors:Smoke Factors:Smoke Factors:Smoke Factors:Smoke Factors:Smoke Factors:Smoke Factors:Smoke Factors:Smoke Factors:Smoke Factors:Smoke Factors:Smoke+ Neo Factors:Smoke+ Neo Factors:Smoke+ Neo Factors:Smoke+ Neo Factors:Smoke+ Neo Factors:Smoke+ Neo Factors:Smoke+ Neo Factors:Smoke+ Neo Tryptophan (15N2)(ISTD) 18904 21744 17260 20841 17993 17596 21107 20628 26943 11290 23448 20753 21639 29770 18694 32825 24597 16936 20659 28474 24013 13780 13222 19682 11283 15145 17829 17648 14472 (-)-N-Acetylneuraminic acid 42807 91363 47809 33518 46380 83324 71329 71132 102719 100329 156199 128447 134980 139324 232851 40538 51669 35684 95876 155399 169057 104156 122164 219754 311778 300583 182764 956252 978246 (-)-Norepinephrine 9386 14158 21471 18930 11503 8959 10223 10417 10650 21473 17014 20326 17960 19584 15315 19259 10764 14338 16196 34214 17700 21543 16725 13991 15270 13488 12982 7031 7989 (-)-Riboflavin 43783 54078 33516 34139 35861 68009 29969 33147 41461 33803 59680 43881 66488 63440 136196 57423 58418 48856 53866 39907 60773 23552 28801 33355 24005 21920 22040 21493 23939 (+/-)-7-Hydroxy-4Z,8E,10Z,13Z,16Z,19Z-docosahexaenoic acid 16118 17647 16287 0 14501 20087 18498 14893 13223 23946 19925 12843 14581 20559 21219 19275 13956 16434 11107 36809 22413 29664 31234 26987 22337 26880 34144 23561 27136 (+/-)-8-Hydroxy-4Z,6E,10Z,13Z,16Z,19Z-docosahexaenoic acid 67516 75107 89222 101483 74572 114311 98876 83752 79275 93571 59811 66106 67463 84722 94442 63571 28005 57374 79175 44817 47668 87317 95233 71331 53715 43726 82044 46568 48194 (+/-)-Epinephrine 512986 428097 344428 504394 405000 918269 520423 410758 451246 584755 377155 803552 639911 879404 493115 739525 538114 456587 377357 852982 548706 473119 357481 514175 353469 358320 450904 408175 410577 (1S,2R)-2-(Diethylamino)-1-phenyl-1-propanol 210418 232029 166708 186048 200567 254146 201617 202587 194256 231130 184379 130750 200374 260757 326125 256299 203377 183596 164072 271332 206941 99671 74510 75687 7615 57279 89109 75738 54151 beta-Aminoadipic acid, dibutyl ester 11683 10080 15722 10119 10993 8278 5841 10313 9498 16040 10083 12652 18500 13499 9983 5946 14063 13990 8872 9957 18218 21796 15831 13329 4235 12481 5230 4136 6167 beta-Asp-Gly 6706 13842 14899 8159 9138 8841 5140 7769 8973 6258 8627 6357 3848 12027 5786 7047 5007 10649 6483 5969 4816 8801 7197 6996 4935 6897 8399 5810 7553 beta-Cryptoxanthin 25326 14435 15786 19285 19421 23457 11688 20007 11098 21783 19484 12357 17109 7105 11142 12230 12800 18664 13191 15144 9834 16853 18028 30651 32653 12058 15464 16769 11696 beta-Nicotinamide adenine dinucleotide 72944 29161 25046 63162 35321 67256 38627 44363 41768 35941 19654 22605 25284 13359 37746 33996 13484 23219 6670 30032 16359 7167 6520 3831 4334 7130 43538 5550 8711 beta-Nicotinamide mononucleotide 20510 83803 41778 7276 65173 15529 8088 9497 65290 9258 52629 51175 8892 21372 5551 9124 20869 56387 48385 25710 7757 29116 42835 4798 2726 1766 34142 4533 4220 DELTA12-Prostaglandin D2 109779 95043 91561 134109 102549 87269 128887 70788 125564 114010 59000 131611 102935 104129 125642 131549 124404 115016 83581 101032 121115 93418 97739 96570 84840 91893 87518 48487 92982 gamma-Aminobutyric acid 9266 11696 12596 7110 10970 14067 8654 8143 10846 6716 11315 7841 8088 9345 14593 11372 10806 11896 15554 4917 5947 9275 7951 5009 4729 5636 2265 4667 3221 gamma-Glu-Cys 16198 33206 36108 18804 26100 38710 30656 25917 27518 35451 31346 20934 14253 39726 35902 25187 40672 24895 22865 20095 19122 21950 32718 31414 38048 56577 41928 41243 72520 gamma-Tocotrienol 23060 28145 43723 37581 32947 26445 26050 22420 18464 32884 23674 29688 16661 17123 29767 38990 19357 24406 11800 39092 26129 19429 27545 10709 38893 21100 49200 17275 0 omega-3 Arachidonic acid 98151 78248 93630 96991 97349 82396 106174 81096 88575 86770 99297 130320 119144 105159 94206 123006 117868 138413 97970 121028 123041 101680 77547 100114 109311 128172 94697 109884 100204 omega-3 Arachidonic acid ethyl ester 23079 27698 24447 29837 32864 38182 26396 32557 38637 31977 28880 26316 31641 60378 41163 46553 39527 52313 27068 35195 33225 33855 25284 36720 38220 43700 34533 29679 32889 omega-3 Arachidonic acid methyl ester 14903 16297 15373 16527 11131 14439 15040 12104 12351 14062 18266 20836 22986 18232 28338 17891 17808 21517 16848 18774 19635 17415 17344 14902 13379 18778 18057 16185 12734 1-(10Z-Heptadecenoyl)-sn-glycero-3-phosphocholine 35798 28990 19806 39149 34606 32214 25949 27384 30506 33294 31251 29145 32157 24809 31845 32144 33176 32369 30914 33235 35232 40927 30275 40904 39425 38568 35253 41268 34251 1-(4-(4-Methoxyphenyl)-5-(1-naphthylimino)-4,5-dihydro-1,3,4-thiadiazol-2-yl)ethanone 21962 23786 20768 17376 22297 41477 17347 10851 13668 24693 21973 34598 20321 26774 46019 34107 37269 28108 23329 10452 15434 23412 25080 15297 15830 30209 3024 5574 7018 1-(9Z-Octadecenoyl)-sn-glycero-3-phosphocholine 32653 78871 76164 70497 69667 15420 60411 26579 54490 69206 17801 58653 86057 15857 16448 159912 56258 56137 44881 46484 10977 62912 89255 113048 35964 66274 95515 90589 46565 1-(9Z-Octadecenoyl)-sn-glycero-3-phosphoethanolamine 32141 83543 37712 6685 61993 24920 11939 0 71508 97657 35015 47540 0 21602 21328 30997 62750 94158 36997 0 83500 151071 243877 41315 167183 570742 348038 434415 174568 1,2,3-Benzenetricarboxylic acid, trimethyl ester 3988 7638 4963 4444 1449 4282 3772 5374 3233 4166 2145 4989 4027 4766 0 3351 8222 5149 6528 2372 4044 5962 5853 3191 5223 2852 5567 0 9099 1,2-Benzenedicarboxylic acid, dinonyl ester 31601 19426 25060 40234 20318 27953 31543 32299 30943 33228 37305 31021 36920 30503 48748 41348 16480 36811 39740 35937 35398 31790 15262 29005 22023 15010 40211 26324 29021 1,3,5-O-Methylidyne-2,4,6-tri-O-benzyl-myo-inositol 65366 66296 77592 74879 64329 76501 65609 65435 68577 56374 61241 70737 99021 71898 94147 86466 64518 82638 78062 67976 60351 67802 61575 52337 35501 51942 66414 59457 44517 1,3-Dicyclohexylurea 6326 5212 6020 8477 7489 6070 7149 8474 8790 9038 5733 7131 9722 7239 9099 6745 6015 5929 8409 5970 6446 5081 5832 7526 5074 6695 5163 5888 5268 1,6-Anhydro-beta-D-glucose, permethyl- 100666 101433 99413 75924 98999 99917 92403 72329 101004 53686 76427 62792 60401 103328 95586 93422 77216 82934 87239 76333 54401 51816 41871 49993 37249 39937 33243 117738 50469 10-Hendecenoic acid 7269 8660 10943 4700 8522 8248 9426 11035 11173 7326 9942 5364 8221 4050 10337 6514 9481 7688 6138 6608 6357 8012 7538 6344 8527 5465 6951 6301 9628 11(12)-EET 114622 87024 78474 87413 91903 91356 110682 81453 87855 97096 96982 135912 115688 99830 122626 144000 133296 130707 119552 115716 105156 84287 106682 76212 92610 105976 78698 83125 76968 11alpha-Hydroxyprogesterone 63749 109261 85381 75509 73824 161592 82741 99039 95916 83171 80439 48992 61923 160956 139592 79178 73885 56636 82288 52227 62047 63087 63146 49665 38742 49444 57859 52641 54938 11beta-Hydroxyprogesterone 92851 119310 109478 108602 99361 162543 106845 125916 114779 102017 79619 85836 94702 163367 147689 102342 92988 84619 123597 80889 77648 94756 95574 88784 66716 82345 105895 78337 98115 11-Dehydrothromboxane B2 6124 2089 2036 8222 2076 10403 7291 2898 3674 2244 2818 2705 3257 3157 5692 7804 2856 2467 4634 4768 2983 6083 5120 4686 3155 2813 5944 4680 7634 11-Deoxy-11-methylene-15-ketoprostaglandin D2 44263 44185 36389 57093 41509 70119 55452 57127 46544 55286 44139 42538 57330 52602 62761 61410 43266 34186 36578 48432 46836 46528 47218 51574 26542 54185 61062 39131 36473 11-Deoxyprostaglandin E1 142514 198026 151013 189496 128765 197453 208593 205638 170826 194865 126807 140169 188762 167194 292520 197043 224005 214942 249014 198869 168189 139737 237963 151917 124564 128298 133210 119555 123431 11-Deoxyprostaglandin F1alpha 3744 17502 17639 3441 15579 4926 5481 5443 9753 3626 11109 7011 3273 14616 15431 5663 14310 16685 17177 3875 0 13401 12162 5103 12619 16274 9096 8201 10087 12-Ketodeoxycholic acid 2285624 1582708 1221296 1630160 1478908 948944 995903 1727854 2040453 883563 1168484 2077667 952137 664233 738521 770551 971652 1085690 1549396 2095138 4105500 362689 757649 1546266 1116893 0 519530 1948912 777165 12-Oxo-5Z,8Z,10E,14Z-eicosatetraenoic acid 21239 25414 10872 32649 26369 21567 34997 25966 32671 12470 25921 10669 27534 14350 23576 34707 22446 32485 29230 23580 24740 43394 40559 20303 24806 31722 25859 11550 22187 13(S)-HODE methyl ester 363213 113840 217538 598477 380506 88506 480659 487917 282262 433012 138853 349858 359324 142857 137466 281696 194696 159702 397181 191732 161412 188567 131402 296937 109792 179056 241513 238674 192775 13,14-Dihydro-15-ketoprostaglandin D1 706109 532431 443537 483334 505839 335230 328735 579296 645115 288833 356115 779081 316451 256345 236626 260490 319901 345194 525913 669051 1397560 171138 379767 706833 307033 0 218153 849334 310417 13,14-Dihydro-15-ketoprostaglandin E1 124044 158776 147268 155751 148232 182542 160619 162682 179992 145353 135546 143426 177088 150246 196145 167372 144939 136332 181387 121160 112595 158585 151996 125772 112521 104633 160098 139108 125263 13,14-Dihydro-15-ketoprostaglandin J2 25084 38517 61429 17578 54491 27927 23248 20851 51950 53012 46202 25227 12487 42828 37702 20153 43875 45800 36561 23809 79281 83680 64567 49696 103750 50224 18085 18567 15091 13,14-Dihydro-15-keto-tetranor prostaglandin F1beta 946514 756573 649371 964441 645739 1101608 121974 1012828 186757 1124631 273717 287556 1061335 609228 181975 277666 781379 492816 254944 2462181 871957 697652 725111 339214 1006209 949821 1162062 253616 857127 13,14-Dihydro-19(R)-hydroxy Prostaglandin E1 11405 13246 15587 11082 10814 8189 12430 12263 10189 11467 8384 10616 11837 6071 17727 12572 13326 17589 7061 9477 16446 9294 9306 29521 25628 16511 13784 23599 22816 14(15)-EpETE 65139 72461 58958 115355 34874 58168 16949 105341 12000 130798 19636 18347 131510 60902 22037 32950 68720 42021 16886 392775 126884 71206 57718 40286 75268 110950 101448 25285 74466 14(Z)-Eicosenoic acid 109355 91893 136289 217903 171960 139488 201618 128861 172619 237153 83772 123015 164291 97117 97359 193751 85648 99307 102428 122934 83968 128032 138481 119557 84802 93632 167576 250128 168187 14,15-Leukotriene E4 45027 50572 60447 45388 60758 20051 48879 43436 45499 19972 39119 43626 48652 30916 54741 55630 49617 38398 36563 47046 36811 44994 35909 36685 26894 35033 42351 39421 47875 15(R),19(R)-Hydroxyprostaglandin E1 31489 29177 34030 32610 31609 37648 40411 37870 32080 29698 33501 18123 31819 22048 37184 34472 29952 35582 28831 26963 34417 26308 26843 18944 30759 19134 23092 18251 21744 15(R),19(R)-Hydroxyprostaglandin E2 71167 69324 72504 84883 73383 71660 81008 78444 89993 58863 74897 63418 58589 66962 56653 78766 84339 75298 86266 75441 88079 74997 53393 60112 72889 61919 58678 49337 69202 15(R),19(R)-Hydroxyprostaglandin F1alpha 115085 76626 58923 165429 51772 60130 147898 151168 74914 93615 41932 56398 126587 55671 44861 128806 83315 117865 53274 87336 64369 67914 83856 67053 59362 55112 76126 57400 73098 15(R),19(R)-Hydroxyprostaglandin F2alpha 38171 37692 39481 46839 35372 38263 87166 49985 55778 58102 37115 43448 43699 26430 35388 58278 41524 68815 45176 39315 27929 61847 64048 43956 38303 49379 63886 82612 66869 15(R)-15-Methylprostaglandin F2alpha methyl ester 25097 25482 25788 28278 22933 29472 22179 24998 22840 30228 20846 18920 23185 24736 20392 28145 21706 24996 24033 23039 23322 22804 19182 21544 18745 21169 24687 26172 24073 15(R)-Methylprostaglandin A2 59084 76980 69303 70946 64570 142495 65700 81058 80515 60620 67343 49440 60545 140126 115927 68302 69958 44214 59102 52060 59317 50157 43600 43751 37727 42200 53003 40592 44349 15(S)-15-Methylprostaglandin E2 48274 49194 63550 73778 42936 42761 60567 66853 46053 69174 26731 56428 68333 40796 40037 63100 41541 66532 35428 69139 54638 55982 45765 51282 47790 59513 69710 45572 51959 15(S)-15-Methylprostaglandin F2alpha ethyl amide 40016 18319 20114 40286 37473 40682 41923 41814 38116 42260 39645 17560 46242 18565 52361 50705 29245 34502 39330 41138 20686 16798 32071 30208 25412 16794 33867 29548 28354 15(S)-HETE ethanolamide 58405 25138 14446 60730 24775 56754 61236 65126 27952 29473 30000 27214 41669 24509 59082 75352 17132 25318 23164 69176 41386 15676 28234 24111 21171 31862 35298 49620 21830 15-Cyclohexyl pentanor prostaglandin F2alpha 46129 50770 77685 85834 68447 75818 82091 89953 86460 93216 39028 56977 57349 69042 52552 59273 43177 39156 54081 32605 32377 51650 47383 56656 20403 39540 68404 43979 47013 15-Deoxy-DELTA12,14-prostaglandin J2-2-glycerol ester 42762 56828 52950 59849 52486 47217 70525 55435 52434 56619 42393 45451 46410 32941 43550 59663 64397 48285 52822 25674 36142 44143 51806 44702 34655 44076 48718 49794 46792 15-Deoxy-DELTA12,14-prostaglandin J2-biotinamide 30138 25505 29812 29378 20563 22226 16694 29098 10258 24252 22517 29155 29149 22511 12961 15424 24777 29177 14996 33468 46470 25057 12125 24278 54327 29527 21738 29069 31238 15-Ketoprostaglandin E1 103698 161602 137417 168921 143340 169717 155890 183959 164807 126042 137831 115803 126144 117578 182228 143900 126621 129565 147102 134230 137799 143543 130033 134805 107803 117841 118227 142350 105758 15-Ketoprostaglandin E2 114660 136631 141294 182325 128518 115876 203757 195420 182755 224118 127795 137362 178868 108568 128433 224832 165188 171442 154906 138434 109545 163621 198631 165352 139061 114076 264516 257755 200530 16,16-Dimethyl-6-ketoprostaglandin E1 0 16642 4116 14934 13424 11066 10334 13962 5102 12430 3 5223 15074 14530 11470 15881 4410 0 14105 14812 22009 16474 3566 4505 14185 17387 18094 21900 24053 16,16-Dimethylprostaglandin D2 44553 57852 56383 60214 47086 64384 58896 52007 51649 47633 43056 35776 42215 46092 69840 56893 38425 43384 49268 28877 15888 18003 15622 24789 23495 14311 18553 12819 21628 16,16-Dimethylprostaglandin E1 1501274 1687164 1694117 1475996 1751840 1556927 1963167 1037009 1365580 1797332 1477130 2221152 1754375 1380220 1736628 1672366 1663622 1647698 1585541 1215774 1083056 1499250 1595070 1511447 1341784 1529161 400069 498146 785285 16,16-Dimethylprostaglandin E2 p-(p-acetamidobenzamido) phenyl ester 22192 17939 12830 18887 21591 16032 21968 19200 22814 22599 25284 24173 19551 23799 23566 26223 25660 17445 18628 22260 20338 8814 9081 18210 5819 11254 10491 13048 9678 16,16-Dimethylprostaglandin F2alpha 168847 161411 143554 160778 169990 189664 119662 181826 73413 181269 39956 83188 176103 198364 98955 184160 149026 213391 151565 259775 164559 155817 144284 138794 157933 178139 217073 87403 164911 16-Phenoxy tetranor prostaglandin A2 2209 6866 15088 3317 9692 2089 5542 4063 5485 3977 2602 3582 538 896 148 7160 1543 5470 2133 6988 1067 1238 2099 343 1997 1779 1285 1060 2449 16-Phenyl tetranor prostaglandin F2alpha 43537 60699 53943 36406 59321 56061 61982 48750 47142 62760 47970 45238 55593 39524 56027 38720 46214 29231 30947 28029 40008 67367 63276 48978 40509 44754 54625 50254 52352 17(18)-EpETE 80249 91785 90649 111776 66855 96101 12159 106561 14673 129612 24211 63255 132858 69915 29475 103373 88204 40899 29182 430406 102674 69901 52048 93615 109062 105141 187828 22857 78805 17,20,21-Trihydroxypregn-1-ene-3,11-dione 72258 69924 75284 69449 67575 79094 53360 65810 55854 78118 44005 58249 56106 65170 51269 56426 57135 68069 75211 56935 52311 66534 60039 52778 48099 56528 66041 70020 67819 17,20-Dimethyl Prostaglandin F1alpha 5140 9207 12141 3138 20838 16941 0 21031 7175 10948 15753 4580 5716 11564 14823 7513 11487 19167 11317 20669 10819 22666 20979 53037 64396 31974 0 48309 88474 17alpha-Hydroxypregnenolone 105492 82797 82653 96131 91860 62629 95913 139639 96595 85463 40126 103974 74251 57683 77939 113681 114117 73439 127666 73550 109667 80080 78805 68168 72045 55494 84922 94893 67066 17-Epiestriol 36086 35523 60243 34515 55669 13846 25790 15444 27182 40737 28706 52582 33458 25181 16878 23211 42555 65016 43932 10882 22487 75654 66679 30269 30957 43453 20396 22067 15733 17-Keto-(7Z,10Z,13Z,15E,19Z)-docosapentaenoic acid 121111 132641 150035 204660 137515 291493 190619 172993 164369 209786 107293 110867 143850 286125 260550 142613 85057 72494 124466 84078 92580 76813 84874 69889 59485 64808 96176 96998 82336 17-Octadecynoic acid 477408 650619 636020 592272 895421 587549 552687 466670 777137 647712 423581 486272 645247 473096 725312 509487 349529 393090 680957 488659 400542 353309 300470 327808 282797 419417 365361 465652 444986 17-Phenoxy trinor prostaglandin F2alpha 33681 35657 38166 36391 32262 33331 34866 37647 30297 25219 37037 36655 37792 36610 40852 39426 34446 35939 43556 46693 35336 38739 31994 30464 0 33838 30398 31146 32859 17-Phenyl trinor prostaglandin D2 65961 45568 57481 86508 58702 34422 83536 66201 60851 80185 42280 57000 61819 40022 55570 75530 58270 46184 53323 52383 44073 43390 49317 49904 34183 36745 54888 46000 47581 17-Phenyl trinor prostaglandin E2 ethylamide 29633 20987 35209 31980 31155 16899 36217 36481 32722 29077 32529 32133 53184 33756 56714 42813 41543 33061 38505 35365 14076 41778 42737 35513 22430 27512 46750 35109 35112 17-Phenyl trinor prostaglandin F2alpha cyclohexylamide 19116 0 71 20682 447 13931 18076 19768 13882 19764 24794 20345 27508 968 16765 24030 15978 5274 1311 15951 19106 4036 0 1691 3372 9714 15695 18753 7972 17-Phenyl trinor prostaglandin F2alpha cyclopropyl methyl amide 35690 31413 40437 44579 41511 35305 43967 39074 35379 30069 28268 31303 39512 27593 49352 41008 33255 43346 22968 42312 35970 61295 36449 71074 12507 36798 44254 55275 36038 17-trans-Prostaglandin E3 13332 8093 6024 11059 11532 6770 6553 9681 8277 5426 10172 6283 19192 8441 16798 9132 5496 5639 11791 5378 5024 5269 8259 12901 5832 8126 8958 15824 10062 17-Trifluoromethylphenyl trinor prostaglandin F2alpha methyl ester 80823 68552 103938 125932 76699 87725 87052 94409 63912 80113 66227 70807 83442 109791 46552 98059 104674 99652 92327 132332 102516 128358 117786 103618 89722 107116 138526 106269 110668 17-Trifluoromethylphenyl-13,14-dihydro trinor prostaglandin F1alpha 81999 46780 33255 59917 33404 53634 53555 64122 97606 64488 50584 52692 152337 60856 120578 147601 59946 48078 43199 111427 79839 199424 212052 151940 48525 121618 254300 157986 187393 17-Trifluoromethylphenyl-13,14-dihydro trinor prostaglandin F2alpha 234366 204218 170597 255985 168654 210192 197967 207709 191388 176776 224148 209206 290445 242051 270267 317544 233846 148639 203354 230290 198801 203671 221720 118820 136899 163292 153929 134177 56179 18alpha-Glycyrrhetinic acid 186235 133159 151619 130509 128592 123940 113157 110701 101045 134147 91889 93227 125749 124749 119722 133443 122764 153589 141563 134668 122128 147901 132014 128248 116094 152467 163362 141070 149357 18-Carboxy dinor leukotriene B4 8376 0 2627 8274 0 10437 5440 8371 12522 9530 8910 7813 0 3095 21569 12392 0 0 5318 5852 8457 5292 0 11937 6107 0 4322 0 6958 19(R)-Hydroxyprostaglandin B2 243258 299704 207060 223172 316485 221772 232181 136778 197404 239819 332207 381278 300988 378926 405574 363953 412705 344376 274376 168243 232088 289278 314952 249843 285269 470466 69549 92796 137501 19(R)-Hydroxyprostaglandin F2alpha 67273 111589 80267 81082 115666 76429 98151 97247 116744 74323 81123 110659 68362 66713 106111 86010 85442 107455 103899 87491 89197 147736 189853 223186 102781 276405 174616 419906 360546 19,20-DiHDPA 51499 111415 78981 72280 64400 381809 75969 103045 88902 75347 104655 41974 61804 401217 344224 71738 45640 36679 60621 42502 51680 31660 34155 24742 23405 25337 28235 29961 31315 1a,1b-Dihomo-9S,11R,15S-trihydroxy-5Z,13E-prostadienoic acid 257159 352710 379511 177051 296395 234515 243779 124632 192779 268656 231316 325394 192030 164624 233106 186238 199980 254256 318274 125049 101194 277144 326701 175365 153262 207422 64869 79706 133171 1-Arachidoyl-2-hydroxy-sn-glycero-3-phosphocholine 23111 26164 25405 26405 25192 25434 26418 28106 21134 11786 23155 18249 23409 13921 12639 23708 27361 24159 22456 21683 22978 18596 22150 19467 13967 14631 20346 20073 19151 1-Hexadecanoyl-sn-glycero-3-phosphocholine 52639 86488 100178 98743 95118 17570 68604 33170 59299 104156 19868 36600 64805 19009 15481 131061 48142 91493 59866 54936 23253 71601 127966 104145 48591 79074 119702 134271 68354 1-Hexadecanoyl-sn-glycerol 184493 138453 195513 258779 364659 675177 150329 145839 185530 165762 131560 142177 167292 325007 249509 120352 71801 52377 182491 57906 98908 26901 32816 32203 35686 32225 34999 53647 39353 1H-Indole-2-carboxylic acid, ethyl ester 0 15641 18631 19546 17480 20158 16157 20221 21852 20111 22237 24706 37041 32143 15113 17634 38154 20972 19325 19136 30772 24700 17459 16328 16162 32692 25754 11208 15680 1H-Indole-3-propanoic acid 12379 11446 8346 11775 10232 10455 8089 11444 9047 8154 9513 10076 12762 8000 11679 11044 12054 6824 4791 14223 10530 10366 8586 10340 11617 12604 8039 9875 11401 1H-Indole-4-carboxaldehyde 2993 3800 3963 5028 4302 3685 5309 3832 3561 2149 2583 4135 4655 5716 2488 3569 3794 4713 2648 4780 4344 3350 1365 3390 709 2146 1560 3329 3331 1-Linoleoylglycerol 175944 204493 185376 213671 159496 140981 230303 198656 197472 239445 129798 123042 209589 110823 117127 315890 213769 322335 140321 203768 111164 247456 360711 307701 233599 224569 322912 308023 270516 1-Methyl-4-pyridone-5-carboxamide 7461 3654 6285 7653 9846 2191 5351 3497 4490 5328 4779 3975 6297 1834 1678 4237 4179 9997 7028 8961 3572 15662 9974 4305 12393 20228 11465 19677 13673 1-Nonadecanoyl-sn-glycero-3-phosphocholine 5849 13791 17595 12305 24793 10450 9872 7318 14741 10243 3720 19488 6495 3807 3988 5636 6528 11579 9743 19366 13669 7376 5795 10931 8139 11494 7660 12523 5432 1-Palmitoyl-2-glutaryl phosphatidylcholine 17197 7955 16672 8823 14002 14159 15041 14103 6990 13763 8109 5915 14238 13651 14936 11620 13668 15311 6770 7573 16586 6251 10731 7455 12928 11153 7433 8643 10670 1-Pentadecanoyl-sn-glycero-3-phosphocholine 11786 4599 6758 34671 4719 0 59255 28773 34804 50392 19524 21893 16452 19636 25369 49049 16104 8236 6537 6972 9276 7628 14395 14075 6872 12557 13121 24889 9679 1-Stearoyl-2-hydroxy-sn-glycero-3-phosphocholine 2923 3277 5344 3987 2280 2245 2888 3534 1679 3022 509 4773 3903 204 7121 6648 1096 3999 2480 4522 1376 2571 2978 4307 1397 3458 2946 4753 3878 1-Stearoyl-2-linoleoyl-sn-glycerol 30937 28049 23114 22365 23630 27135 27720 35897 30556 17650 32527 21570 26612 20966 23054 24882 35248 36059 26231 22312 24743 23632 24091 28417 26392 31528 25357 23145 25009 2-(14,15-Epoxyeicosatrienoyl)glycerol 359686 315391 283285 356119 305234 338152 238158 271639 226229 330209 242479 237284 260627 278942 198929 329497 256535 359297 305731 308371 296167 335763 265125 303675 269502 313119 373372 404370 402292 2-(2-Chloro-4-methylsulfonylbenzoyl)cyclohexane-1,3-dione 178556 171488 142176 205223 210635 170802 198640 72302 122473 180832 165266 281858 247352 219993 297926 282988 259109 254584 202605 112943 182295 169168 190291 203078 196722 261922 38111 27330 55592 2,2-Bis[hydroxymethyl]-2,2',2''-nitrilotriethanol 3981 4829 3546 5992 4969 5954 3730 5677 4995 5791 4739 3967 4785 3487 2370 5587 5560 3259 5005 6098 4684 1028 845 213 1247 581 1484 534 1391 2,2'-Dihydroxy-4',6'-dimethoxychalcone 6449 6136 5388 5036 4071 5020 4042 3806 3131 5278 1816 2438 7612 2540 0 5537 2493 3845 1142 3453 4124 4964 3705 2619 5174 4031 2819 3497 3833 2,3-Naphthalenedicarboxylic acid 5235 4197 4879 2949 6225 2433 4847 6326 6829 5214 5648 0 7027 9616 4433 3266 4434 3628 4227 5729 6569 5749 2855 3665 2934 6116 5221 5231 3271 2',4',6'-Trimethoxychalcone 4303 4421 2468 26707 3678 49359 24652 28759 5520 3333 5849 5677 3993 2059 52082 31773 4536 2708 2468 24346 4094 3075 2042 1257 2086 0 1193 2805 1717 2',4'-Dihydroxy-2,3-dimethoxychalcone 8871 8277 9775 12635 9292 15567 10513 9269 7788 11145 13616 6946 13680 8030 11519 11231 6118 7249 14589 8158 10153 3659 6322 3068 8060 4472 5489 7118 5083 2',4'-Dihydroxyflavone 8896 6928 3763 6695 11122 7454 6508 8957 8650 9896 9638 7221 10078 9261 10145 9898 6336 7546 8024 9732 10829 5784 6887 4733 6362 6532 5297 5230 7973 2',4'-Dimethoxy-3-hydroxyflavone 27377 27561 24297 26846 30330 29171 15804 20705 17132 24336 20450 14781 32103 67274 33855 46858 29120 21322 39352 37978 28937 33281 25060 10026 39349 33759 14689 31126 27387 2,5-Di-tert-butyl-1,4-benzoquinone 19537 25065 21227 19204 25635 24899 28675 26794 25161 22013 23786 15680 20362 25686 26495 27436 26381 16006 25453 22796 23275 20385 21071 17369 19538 19802 22362 22576 18159 2,6-Diaminopimelic acid 5833 10914 8530 10004 5044 8814 13737 15385 11195 5242 9017 5080 3281 3534 15264 4968 5302 11141 6062 10916 5776 7493 10021 9372 15150 7723 18947 16188 12848 2',6'-Dimethoxychalcone 26890 22948 11522 37209 20097 26303 32415 38415 27261 20315 17213 27973 39269 20561 19129 40445 27677 19385 17784 32068 37579 9849 8280 0 7663 3420 12037 6913 5702 2alpha-Hydroxytestosterone 147809 303552 156106 441831 303527 592453 112020 391696 49305 271905 64366 93493 242186 22773 105792 178049 155668 85262 15107 619038 150118 142707 107613 192611 324341 237491 234187 53785 140688 20a,20b-Dihomo-9-oxo-11R,15S-dihydroxy-5Z,13E-prostadienoic acid 16495 26371 30974 25381 24729 21448 29872 22437 23101 29400 25155 26728 32367 29815 36648 27846 24544 23 26213 24056 24827 22678 41356 29768 21795 21573 46112 39261 22300 20-HETE ethanolamide 42629 33373 29075 41774 38271 50816 42070 28968 28357 25894 23632 31024 41928 61924 45805 33923 39999 40115 31238 31258 28497 35835 34387 30293 28035 43689 35432 28847 37150 20-Hydroxycholesterol 61167 66270 65584 71319 55142 78502 72744 68745 61206 79990 55851 70116 80736 66840 73769 73303 76726 61139 58327 74705 61442 66361 61661 55730 60837 76974 75449 56209 71199 21-Hydroxyprogesterone 80405 67316 63447 54406 49760 67358 48667 68240 59560 39430 36748 81408 47770 61119 50551 80530 97914 56797 30307 61364 105311 21 55669 46135 24065 71163 42965 39818 41625 2-Amino-1-phenylethanol 353117 244556 223805 261600 245730 517293 311495 214931 261726 305755 226296 420299 361027 477913 290644 393937 268466 284129 239861 408695 257462 278768 225246 275098 189964 177141 256045 237029 216601 2-Amino-5,8-dihydro-1H-pteridine-4,6,7-trione 35722 35734 25459 30012 28724 39688 26958 29219 23268 25560 30888 19060 25638 24507 34078 36191 32404 41125 62432 22409 26455 10644 22817 11751 10330 7149 10690 8130 7605 2-Amino-5-nitrobenzophenone 32282 57198 39704 29601 47314 42245 51458 59843 54699 28651 54048 37618 40194 45890 53133 54425 59310 43604 48094 25813 32426 41460 15684 16911 29363 7218 14617 11204 20611 2-Aminoisobutyric acid 851644 1760249 2594319 877411 2369126 908656 454805 974181 1757899 951539 295293 384630 185184 361691 667618 408666 323916 391296 291010 672867 966244 15212590 11348179 9696992 10681719 11260124 8042538 7941974 17088041 2-Butanone, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)- 9419 0 0 24399 12349 0 13312 0 13127 20052 0 12584 10472 0 6702 9757 0 0 10781 9161 0 14990 14492 22005 18238 15902 12080 18814 19923 2-Chloroadenosine 15990 15722 9124 24136 16501 22110 20788 18087 24913 26530 22591 21905 19150 25883 13494 28407 26807 26920 26325 41077 14543 3741 16243 15775 13677 6685 19449 5349 4894 2'-Deoxycytidine 5'-monophosphate 2241 4783 3369 5159 2639 15374 5429 13272 6431 1602 6545 2848 4230 15509 21322 8291 4541 1500 3579 5704 6780 1314 2444 4902 5980 4335 6479 3417 6740 2-Ethylcyclohexanol 1326 3689 2781 4716 365 5426 5287 5183 1146 5997 5167 4654 6991 2139 3414 2778 5048 0 464 5560 3277 3956 1055 2248 1141 3204 1074 1863 892 2-Fluoro-5-nitrobenzaldehyde 61150 11802 0 45965 53022 63726 45381 43813 38050 38742 68457 36937 38988 24682 50079 43331 38270 8767 82138 33364 42056 38701 64334 45356 59795 31048 59089 42252 75443 2'-Hydroxy-2,5,6'-trimethoxychalcone 56568 49688 45390 58998 78980 52769 32515 33085 28914 46232 20185 22485 65793 30748 100707 41759 24704 23102 41106 34025 55453 14474 18364 44641 37369 20883 21743 39127 23701 2'-Hydroxy-5'-methoxyacetophenone 22162 11734 12417 17359 13105 14894 12981 10522 9239 16176 9342 11484 13864 8191 13758 9603 10324 9290 14609 15254 9546 12571 14186 11484 6806 9227 13877 16460 18688 2-Hydroxychalcone 55970 73804 50222 8679 63379 42616 13145 10609 94127 15896 55816 58604 5136 54062 31013 12654 51649 45142 45405 62772 53491 77422 53719 22944 74063 95661 54615 78728 67686 2-Keto-L-gulonic acid 5722 6605 2251 3075 6045 4954 5407 5951 4225 6206 6696 1569 7060 5326 4639 12818 6321 8021 5618 5689 4126 5471 5374 2781 1811 3013 5186 2068 2258 2-Nitro-4-(trifluoromethyl)benzaldehyde 581960 894835 886865 679129 889073 538879 607495 629970 687676 730269 702623 820592 712804 1206520 504267 769969 823961 1095977 815012 968441 670421 475687 275877 514647 431393 510365 375126 395576 349194 2-Phenylethynesulfonamide 85068 88908 59519 92651 101204 67657 84283 35750 51992 79229 84237 121170 104736 111508 125255 144012 132673 115983 87492 53073 75978 76520 91248 79930 60442 110438 14564 18178 29087 2-Propenoic acid, 3-(4-methoxyphenyl)- 126489 53735 69003 48808 64287 131538 50292 45326 45954 54920 144166 70171 93689 172998 105322 90032 81465 85142 123521 44197 84669 103417 235274 37620 24755 21244 146852 10652 17529 3-(2-Pyridyl)propan-1-ol 49845 88450 46955 29232 38011 152610 33545 55958 15479 34634 53432 38850 35136 52659 158435 55692 84584 13061 43452 37964 63896 24875 19611 61669 48552 18964 24890 35722 48180 3-(3,4-Dimethoxyphenyl)-4,6-dimethylcoumarin 83299 93805 70938 86718 95359 78000 72193 66472 56624 48040 51603 50376 85424 69924 72003 75873 81799 87322 118510 90257 89213 14028 16469 34419 44009 19815 27837 31931 18585 3-(3,4-Dimethoxyphenyl)-6-methoxy-4-methylcoumarin 173987 87023 98660 162550 54428 150680 16547 184975 16145 136949 38460 24918 213208 94065 23658 45925 148341 69595 47687 220009 226987 120621 119186 46155 177112 218038 186494 0 179297 3-(3,4-Dimethoxyphenyl)-7-hydroxy-4-phenylcoumarin 29573 29213 18372 28131 32358 32327 32379 41272 34877 13998 41312 29964 27647 24761 32509 33866 36293 22666 37521 27505 19141 29725 21903 20727 28720 23704 24285 20306 20584 3-(3,4-Dimethoxyphenyl)-7-methoxy-4-phenylcoumarin 1847 4158 5246 2592 3660 1470 2533 687 2586 3400 3644 3006 2096 5990 1958 2878 5048 3246 3506 5485 2265 9528 6291 4841 3912 5981 8523 3747 9151 3-(3,4-Dimethoxyphenyl)-7-methoxycoumarin 9599 5662 8982 7117 8282 4170 8772 8184 3237 4867 7314 8734 6347 6770 12178 1814 8272 5695 7485 9393 18831 3595 5920 8393 5068 5497 4748 4729 3803 3-(3,4-Dimethoxyphenyl)-7-methyl-4-phenylcoumarin 2701 1377 2445 3015 6797 4674 4646 4046 2904 3428 7463 2662 2940 5030 8014 7091 3723 1002 4239 4816 7175 2636 7048 0 3667 4599 5495 6661 3945 3-(N-Morpholino)-2-hydroxypropane sulfonic acid 896956 578414 1245608 1149540 924029 675808 1191878 849029 760763 1753210 792816 1107165 277429 434042 455616 817083 1081701 1177906 877183 767105 1129725 2751439 3573356 1994521 1667590 1506077 2855410 1749933 1791585 3,2',4',5'-Tetramethoxyflavone 849407 1034126 900102 539756 938413 686075 625176 295159 527644 606329 812925 1004169 612616 665691 866742 657983 722564 919448 1074642 354152 331884 822521 1070083 521548 478105 638879 137827 166970 310392 3,2'-Dimethoxyflavone 4736 1154 3598 1756 3068 14916 2303 5754 4377 4289 12802 2863 2325 2658 148 1142 2835 4083 1735 1576 1794 5975 6802 3709 3160 2238 3679 2563 3437 3,4'-Dihydroxyflavone 19189 21726 16484 14645 29476 17493 21183 5943 9182 13374 13903 27271 22003 24784 24154 29606 26665 29236 22277 10948 16060 22624 22381 15848 24973 30598 3758 6092 12360 3,4-Dihydroxy-L-phenylalanine 190260 248867 111314 153431 214146 164932 148888 169166 186649 111505 208272 131996 157971 119846 192795 161608 178813 106292 262061 127258 160901 88705 103637 75975 93718 49289 77890 61225 91602 3,4-Dimethoxy-2'-hydroxychalcone 9829 4540 8353 5921 2822 5707 6627 2694 7832 8455 8248 14647 26580 7334 13570 3932 3366 12179 9913 7864 8013 13689 19455 3939 1398 7704 9487 21166 10554 3',4'-Dimethoxy-3-hydroxy-6-methylflavone 22510 9214 23093 15123 13234 16853 29597 16335 7166 15135 25939 10349 19714 6660 15792 14959 13195 9461 9718 13138 20455 5036 10372 6356 6914 1416 9561 6621 6919 3,4-Dimethoxybenzoic acid 12857 13615 14313 10276 11614 16238 17005 11201 8939 11368 12951 12675 15616 10192 18680 13845 13229 15597 8875 11402 16846 16611 16964 12949 13387 14005 15042 11877 14546 3,4-Diphenyl-7-methoxycoumarin 160540 178648 155632 139058 184999 134394 144898 49350 95927 147392 145609 233215 162577 134210 206386 187098 173347 229549 220458 73680 95619 145763 186306 147313 140919 182893 30644 22808 48153 3,5,3',5'-Tetra-tert-butyldiphenoquinone 37894 49130 42698 42922 54359 44403 61405 51620 43429 54071 42106 37289 47513 39503 50772 0 47791 30347 20969 48037 42408 34690 33056 37181 37373 27027 33269 33652 35928 3,5,7-Trihydroxy-3',4',5'-trimethoxyflavone 28808 30601 34767 25070 23310 35626 28280 33065 25213 17754 30057 20676 19925 23885 51722 30227 22170 23516 28582 31809 31544 31144 27365 45462 38616 24504 24048 27115 34246 3,5-Dihydroxyflavone 11000 6201 6751 6942 6721 8718 11710 9433 5907 7472 4339 8346 8676 5158 2032 7317 7434 6426 6678 4649 985 4233 7015 2257 201 6447 4196 4873 3498 3',5'-Dimethoxy-3,5,7,4'-tetrahydroxyflavone 13550 15097 17334 27551 15545 13977 25637 20430 13234 14094 19576 11139 15886 11959 46035 19907 15148 19693 19047 17281 17844 20782 32287 14888 16828 13194 13771 18689 18311 3,6,2'-Trihydroxyflavone 6300 10468 9536 15301 16318 14805 9546 14752 10832 7472 8907 2648 17731 6272 6233 6745 13449 11577 11958 12746 9418 12914 11321 9152 9128 15091 5149 5355 5349 3,6-Dimethylchromone 13050 11587 17376 28734 18911 9701 24234 11559 18847 16210 26578 31538 20126 21791 11542 21665 4923 16116 14626 37429 34506 73493 36771 59108 71660 24796 38594 59202 98559 3,7,3',4',5'-Pentahydroxyflavone 0 42134 62874 53176 40673 35574 52351 56016 44333 32957 57699 29782 51269 78707 42994 47498 65996 71001 46181 36515 0 29425 23017 16158 13093 33283 19971 14300 14960 3,7-Dihydroxy-3',4'-dimethoxyflavone 10474 2440 4450 43168 6686 8176 23711 12269 3058 11886 6775 10477 5666 3885 7029 14670 4685 2090 4885 15348 5326 4060 5457 5596 3348 1548 6834 5067 2406 3alpha,17alpha,21-Trihydroxy-5beta-pregnane-11,20-dione 150492 128123 128775 180429 154890 148769 212586 138575 157000 175013 141389 193534 206831 178662 205779 223652 203532 167214 125391 164829 164448 136110 129782 188307 155329 184582 50965 63355 86945 3beta-14,16beta-Trihydroxy-5beta-bufa-20,22-dienolide 62264 61443 63967 77595 73988 88337 71133 76640 64755 64337 64038 57393 47292 55752 101248 67193 65124 74360 76348 72293 63356 70511 62906 55390 57085 58147 58198 56244 62101 3beta-Hydroxy-5-cholenoic acid 3187552 3274668 2900786 3881618 3440132 3649521 3290032 2935308 4327804 2386148 4452898 4262418 3360003 2978311 4399497 2645412 3342523 3448458 4007412 5306605 6618157 130607 114543 506803 3219885 3212551 118115 609054 747177 3-[(3-Cholamidopropyl)dimethylammonio]-1-propanesulfonate 41832 37659 27723 42165 36190 35755 21169 16899 25562 22904 19204 32918 54004 40484 55716 51108 31404 31290 33801 20451 34456 19826 24263 20649 36033 41593 11587 18053 12235 3-Amino-3-(2-chlorophenyl)propionic acid 4895 844 3029 3300 2430 1271 3106 3644 2045 4123 1288 1354 4017 2990 3177 2372 1937 1353 1826 3183 3575 1792 3223 2297 3597 1316 3168 2327 5759 3-Amino-3-(4-methylphenyl)propionic acid 775 2669 1338 857 1122 1410 1376 887 873 1442 1412 1410 750 815 2372 2263 3576 3567 3877 703 2196 1883 1727 1050 3033 1293 1740 946 2458 3-Amino-4-hydroxyphenyl sulfone 3585 6246 4850 4460 5390 7891 3709 6645 8362 6609 4418 11553 6453 1955 8956 5735 4274 5871 6820 3159 4886 31620 26656 19273 14137 17211 18532 21910 19976 3-Aminocoumarin 4925 1774 1282 7354 1440 1724 6457 1955 1768 3813 2267 8513 15459 1138 1096 4611 2922 1534 2455 3888 1172 811 302 258 1006 1443 286 1371 510 3'-Dephospho coenzyme A 1389 752 749 720 815 1003 249 731 1162 1732 1030 1023 589 1390 746 1381 1500 1218 1342 508 1185 1959 1755 1202 1573 616 809 2874 1919 3-Hydroxy-3-(2-(2-hydroxyphenyl)-2-oxoethyl)-1,3-dihydro-2H-indol-2-one 19092 23540 23168 20621 19483 21898 22441 23236 26364 15045 11844 14265 18723 21548 32744 21797 16116 15406 14974 18520 18129 18361 40381 34337 83154 54273 33599 64208 52144 3-Hydroxy-3',4',5'-trimethoxyflavone 56096 63961 55465 57428 68754 64037 64551 50217 29438 55223 50686 73965 61560 59901 79703 84636 74132 72038 69245 34142 54384 54021 59545 51778 52015 67430 35779 33427 35086 3-Hydroxy-6,2',4'-trimethoxyflavone 61370 74153 32626 41024 62987 86135 39161 60398 36950 38398 66728 59845 72031 83523 95578 91285 41676 68529 38845 50929 66014 60313 53280 56948 55638 82327 48501 37032 51478 3-Hydroxycoumarin 756789 732349 549384 547640 701018 511527 567843 251774 427609 499701 675687 834889 654626 624437 862192 771308 750388 723349 741579 340391 343988 608994 790156 523983 391194 592197 100868 131623 211152 3-Hydroxyflavone 391055 301375 286590 498708 294763 269564 158146 462895 95621 526255 134040 101875 511695 603547 239000 518192 346950 307923 223504 1988281 499668 378538 287362 200725 447577 427871 504150 164548 382336 3-Hydroxyoctadecanoic Acid 815470 1143106 679889 787979 988897 969292 546757 918024 862026 718548 622539 552432 1180525 783575 1654000 804883 459981 506395 622253 612713 902912 147065 157430 437264 628738 466525 209944 555773 392142 3-Methoxyprostaglandin F1alpha 156841 41543 83127 198499 115121 32642 146847 134281 104803 171604 54957 118510 100685 29899 57604 75832 41400 56220 61663 86201 76498 72849 55330 98401 18931 61350 116672 83337 109994 3-Phenoxypropionic acid 1387938 1381255 811332 1177150 1463161 1072115 1130327 595488 837197 1300672 1479140 1800130 1475164 1874433 2046534 2051859 1987970 1566210 1238138 875807 1102162 1373322 1402475 1135103 1141388 2259147 313957 410917 639301 3-Phosphoglyceric acid 12437 3313 5555 9706 16478 10009 2312 11308 11467 7162 11724 13427 2063 10354 10002 7339 16256 4848 0 2103 6390 11064 10210 10092 5172 8856 3720 4329 9337 3'-Sialyllactose 3223 3834 1076 3950 1847 8461 3696 6987 2358 3108 4673 1404 6455 7980 28810 7563 3466 2675 3665 2408 2699 6852 4697 5258 3218 5217 4245 8248 7262 4,2'-Dihydroxy-3-methoxychalcone 3414 1243 3277 2706 4530 2097 3479 2445 2254 2970 2546 3917 1924 1582 1774 4194 3141 1886 770 1461 3640 972 1058 725 2680 2574 2092 2873 2349 4',6-Dimethoxyisoflavone-7-O-beta-D-glucopyranoside 26340 24440 16381 30076 22609 17028 20689 15088 19901 21035 18550 16409 28813 18467 20109 22946 35268 19348 12569 26338 21890 7536 13402 17926 18676 8119 14056 16077 11922 4,6-Dimethyl-3,7-di(4-methoxyphenyl)-2,8-dioxo-2H,8H-benzo(1,2-b:5,4-b') dipyran 29972 40244 67107 64591 63526 54027 66898 68656 61368 55478 65724 63223 35707 46540 30141 28815 37310 70293 70423 58763 48847 67555 60001 22293 47402 62472 58721 53296 40590 4-Chloro-3-sulfamoylbenzoic acid 62272 105676 92719 65148 70452 269212 44191 90969 53698 46650 54033 48399 35871 145723 375931 72874 73473 69271 60265 53837 53156 34930 15972 33833 43795 30622 35051 50197 24920 4-Chloromethandienone 29680 17582 13289 26811 27216 26358 16939 23846 20482 15431 21571 19313 21685 11632 20924 15817 23207 31432 36844 21826 17604 23785 24285 16320 17474 18482 20328 8719 16376 4-Hydroxy-7-trifluoromethyl-3-quinolinecarboxylic acid 8138 9364 11810 15226 8704 5726 5222 8929 13181 15044 21694 13990 12766 6126 16815 15230 14702 12237 12750 10914 17848 4313 3721 4993 4712 4178 6221 5086 3033 4-Hydroxybenzaldehyde 2620 1238 1683 1603 1130 3288 1133 3281 1013 1543 2623 976 1355 2655 2019 3255 2376 2952 3029 865 1418 4402 2488 3600 1616 347 2770 3248 308 4-Methyl-2',4',6'-trimethoxychalcone 81580 24385 57550 112710 66756 16241 77134 79240 46611 95734 32711 65408 56974 34390 19573 41937 27050 44650 91186 29265 35020 29398 25368 43274 48767 23565 36790 34490 46784 5-(2-Hydroxyethyl)-4-methylthiazole 5681 1566 4602 3595 933 6683 4426 1436 3520 4525 4991 5891 11359 4463 9022 561 1373 7017 3867 5312 5250 6598 10067 1477 627 3282 4571 8133 5556 5,2'-Dimethoxyflavone 66920 75972 70611 77393 71656 76735 65653 73767 75224 63096 84149 70124 94292 67044 73898 97102 101524 67356 72649 108567 84481 42202 20168 38021 42325 26735 25468 30123 30415 5,3'-Dihydroxy-6,7,4'-trimethoxyflavone 23578 24799 21122 25817 25985 23019 27209 14341 20219 26372 25391 40630 32422 34536 32036 40998 36257 29270 25338 22318 25939 20219 21268 22801 21587 30440 4348 6889 8768 5,7,3',4',5'-Pentamethoxyflavone 17189 11458 9430 21209 14970 14611 27251 39434 16677 26019 31268 12491 21265 20261 32024 27262 19822 13824 13003 16622 24271 9451 16682 25152 6844 9683 13744 26609 17143 5,7-Dimethoxy-3-hydroxyflavone 6974 10491 9671 9478 7799 11263 10917 10549 10883 7904 9206 2632 14300 11353 18931 16207 3121 7111 8910 11731 8163 7926 15093 3589 2099 0 2817 3462 2703 5,8,11,14-Eicosatetraynoic acid 36921 45274 43056 47614 40855 59083 57046 49624 46429 42806 40380 34046 37802 56485 53922 61419 59903 48223 48796 54069 43439 41442 36405 23522 36175 25557 18863 31708 33050 5alpha-Androstane-3,17-dione 17924 15004 12523 15094 19424 18772 11418 16224 14744 14617 16935 18506 15273 14789 16187 13806 16732 12112 16570 17419 18661 14519 16671 14576 8017 12261 9818 14396 15964 5alpha-Pregnan-3alpha-ol-11,20-dione 108616 152699 164403 152125 184015 200876 169490 132414 206102 191649 120906 131636 122527 181440 206512 124908 111863 104473 127561 137475 127396 308412 241743 231668 198738 261745 257860 409801 359246 5beta-Androsterone 25707 32507 27550 30772 30777 44177 50296 33213 32901 29633 34952 31092 34589 29770 40016 46960 36126 38336 42169 31389 23128 29831 31267 20753 30836 30416 31908 19065 22852 5beta-Pregnane-3alpha,20alpha-diol 388 1821 3438 311 2190 738 577 265 756 1362 156 671 485 587 340 368 278 804 1044 328 1506 2780 467 460 1076 747 377 510 219 5-Aminoimidazole-4-carboxamide-1-betaD-ribofuranosyl 5'-monophosphate 3889 2440 2108 1776 2175 5124 2141 3752 2892 2049 2134 925 1734 2004 9659 2567 3426 3282 1405 1435 3041 3087 2963 3888 1907 1204 2296 2561 4456 5-Aminoorotic acid 1837 7427 8220 4975 6703 5925 1597 2455 6432 3832 4959 6480 4144 4620 978 778 8310 5662 10480 3690 4137 8068 6363 6070 13369 4586 8000 5988 18719 5-Aminovaleric acid 230203 172566 1009121 242069 176142 404764 232713 198609 201228 258590 243179 371215 323722 277845 180469 280761 340433 437173 269789 225204 190070 3944064 167324 2644758 5921219 0 145371 120851 0 5-Methyl-5,6-Dihydrouracil 4674 3695 2336 2431 4608 7787 4741 3682 2703 3150 4099 4027 2134 2669 5397 2727 2833 3486 2550 2482 3585 4429 5481 2538 3001 2133 4512 3826 0 5-Pregnen-3,20-dione 13898 9758 7214 9791 5323 10055 11186 9808 10817 8684 14347 11006 9210 8862 22936 11078 12247 7529 6694 8690 8220 8114 8877 0 3737 20892 4734 7142 11629 5-Pregnen-3beta-ol-20-one 242426 359294 336352 286165 442460 423935 259925 269922 384037 273218 265490 264386 333546 396178 617659 232093 164539 193053 409090 285603 272634 131915 116396 111791 121738 148732 138100 181169 180974 5-trans-17-Phenyl trinor Prostaglandin F2alpha ethyl amide 33295 41589 45511 45924 39323 55703 44850 43678 44002 43006 35232 26904 50791 35571 52893 50930 38924 31838 33726 33305 34478 68801 72390 69090 35549 55879 73325 72256 75735 6,2'-Dimethoxy-3-hydroxyflavone 11312 39276 8402 11396 15868 26396 11246 9816 17605 11459 2884 10690 3249 10802 8371 7980 7164 9911 2277 10811 2834 13737 14719 20930 15679 36603 15834 19100 23133 6,4'-Dimethoxy-7-hydroxyisoflavone 96804 38018 52312 57310 48411 64175 30618 67696 52314 39998 48050 68965 37630 49917 64548 38481 32038 54254 82981 42373 51298 51507 60426 26553 42446 52978 42673 38283 44896 6,7,3',4'-Tetramethoxyisoflavone 1305961 1331500 962245 1402387 1431962 1272339 1404845 751029 979189 1316268 1387994 1922646 1728609 1924494 2054601 2096872 2117521 1764067 1238155 1029076 1450870 1306188 1288657 1560967 1179785 1687514 235004 279135 485991 6,7-Dimethoxy-4-ethylcoumarin 1268 577 5566 2660 662 1426 6240 1673 674 3377 2954 6030 4872 1239 820 3087 875 3128 3975 5359 25540 4934 4580 3213 18684 7251 7730 5642 28700 6alpha-Methylprednisolone 20858 15745 13240 12486 14503 0 16116 12334 28375 10216 11 13210 5 6750 12202 6832 7608 0 14346 12312 7998 19241 26068 11758 15602 10324 16722 11191 8985 6beta-Hydroxytestosterone 67836 46185 55374 57609 66573 61583 62778 33375 47637 55426 64668 73615 68675 58385 63475 74330 68057 79910 72002 54909 49129 55468 60426 47994 55485 63997 39135 52592 47213 6beta-Testosterone enanthate 17568 9935 10015 18790 8645 34251 5294 27300 8765 10311 7240 14801 4309 18140 13599 21962 11241 11594 13000 23463 17499 25715 15256 5552 10106 3438 13013 7722 11288 6-Aminocaproic acid 475005 435776 371789 525025 461025 898360 454486 457578 470413 514775 418583 619230 497807 680318 438058 469846 509006 419734 402081 561422 474008 497612 369893 450058 281799 275916 441692 390641 238570 6-Azauridine 68135 24272 23929 65159 33172 54926 11884 35677 12131 33606 48037 31610 27963 40297 10398 29267 27453 24709 41282 50620 81660 51491 26294 35158 23601 22537 49956 84647 87069 6-Ethoxy-3-(4-methoxyphenyl)-4-methylcoumarin 6850 12795 7857 5683 7287 11833 8589 8640 13585 4908 11023 6932 2868 11089 20250 2769 8366 9332 5239 3124 4729 10360 12792 12223 30179 31531 4834 110806 124796 6-Hydroxydopamine 23322 33110 38673 19114 22879 42384 22956 20320 25234 19992 24055 19083 19032 27667 40312 20867 33511 28803 31157 10372 14477 31181 25430 12559 30037 22501 14047 23999 42477 6-Hydroxymelatonin 18425 9556 6487 20773 9880 36735 18279 26839 12709 18847 18224 13632 22196 30940 48752 22029 11104 3571 10486 17799 21183 5781 9090 20981 8559 4215 18462 20424 18934 6-Keto Testosterone Enanthate 58037 43378 53280 68337 59492 60704 55317 56573 47808 61442 53411 62168 71961 58706 52718 80051 61882 74781 40429 67164 59447 49915 46017 40112 46714 38397 83406 50871 71594 6-Ketoprostaglandin E1 94269 110985 115831 119842 86895 131878 106496 142136 98387 82794 96521 94764 76362 91596 123094 98991 125395 108163 112698 84609 93661 94911 83323 77392 80236 84691 78759 75777 73041 6-Methoxy-3-phenylcoumarin 11926 16571 11833 23517 13183 22258 14992 18020 11515 10755 18196 11682 12393 14445 19593 22854 19971 10188 12519 15487 20280 14189 6862 8951 10103 11007 11072 7447 9027 6''-O-Acetylgenistin 74 6751 14093 3813 0 4760 5401 6114 4181 5284 4105 4898 2972 6379 8502 6827 7110 7382 5965 3643 8261 6686 3518 4822 4028 3420 2122 2942 6153 7,4'-Dihydroxyflavone 12115 29708 26576 9605 16789 18814 14462 13103 21841 8987 9514 8074 8533 12568 20245 8331 9052 8426 9976 8499 7665 1075 22085 853 25084 66573 13512 83574 25268 7,8-Dihydro-L-Biopterin 31364 34206 33014 22573 42135 47820 50549 18898 35816 36560 40442 62155 30531 36082 44307 31033 36525 30739 40773 14140 13732 30117 40775 23256 29558 32756 24516 28402 36412 7,8-Dimethoxyflavone 5706 4791 3323 4664 4004 4940 2169 3470 2964 7113 3117 2197 6395 3971 8228 2982 8976 3683 2890 9261 7851 3934 3752 3449 4489 5559 10697 2367 3835 7-Allyloxy-4-methylcoumarin 33898 59935 37586 59777 47281 122705 74005 63712 24681 68123 28962 47242 60086 54586 33417 74437 38870 24177 54547 92508 23405 25348 23201 41539 40584 33039 31651 26633 19282 7-Diethylamino-3-(4-ethoxyphenyl)coumarin 12311 25188 24755 8502 20297 14177 18470 7308 15644 15621 13627 20422 9772 9617 13586 12570 10996 13308 17953 8720 5589 18729 17521 9774 14245 16956 9359 8604 14839 7-Ethoxy-3-(4-methoxyphenyl)-4-phenylcoumarin 5975 7273 4023 13047 6129 11647 10827 12207 10524 8445 9221 7287 11949 5872 15686 11073 9936 5860 10506 6789 8901 10451 7215 4781 5919 7855 10264 11270 11376 7-Hydroxycoumarinyl-gamma-linolenate 81647 72644 73699 123804 72338 77165 86572 84250 74935 86670 71891 83297 97719 76949 85306 95527 80410 92663 71543 108816 98621 52054 43594 52790 38521 64907 41676 56178 21420 7-Methylguanine 3231 2553 2218 3620 2864 6563 3256 4664 2611 3278 2919 2375 1546 2464 4943 3326 2502 2097 2419 3650 2850 2104 2551 7709 3776 1608 3995 6379 12012 7-Methylguanosine 22920 16884 18166 21024 19186 22602 17358 28917 10416 14288 17644 9460 27396 17626 25830 29614 15876 18240 17618 22984 25685 3590 6351 6381 4818 6359 10410 10844 7306 8-iso-15-Ketoprostaglandin F2alpha 14655 21287 29039 17431 24722 7126 34931 14838 22659 56642 21308 33900 18498 18077 8419 15116 37396 43603 38823 26951 17757 47807 47234 54107 39942 22289 42479 64219 48499 9-Oxo-11R,15S-dihydroxy-1a,1b-dihomo-13E-prostaenoic acid 0 55376 31096 33018 31509 48012 38728 31884 34567 35486 43903 21226 29369 50349 31315 34921 42939 26728 31819 40003 7 43838 36751 25197 0 50888 33332 22666 39709 9-Oxo-11R,15S-dihydroxy-5Z,13E,17Z-prostatrienoic acid 67685 70874 54437 68461 88816 111598 69412 84619 94210 92579 74966 67679 91877 139850 94218 113723 93568 104603 83425 58791 68311 64206 61129 57948 63314 54665 74333 64520 50182 9-Oxo-15S-hydroxy-5Z,10Z,13E,17Z-prostatetraenoic acid 2927029 3308133 2156969 2395519 3478305 2480553 2497744 1392054 2105365 2722059 3456685 4003622 3118521 4137742 4451234 3968861 4404221 3574228 2926367 1859793 2457547 3090000 3388471 2708567 2969509 4764337 661946 934103 1432807 9-Oxo-prosta-10,12Z,14E-trienoic acid 118416 238818 149469 231111 202344 209684 0 236786 0 213243 0 0 228006 233265 78181 102203 223083 232586 0 506356 266736 239895 0 177990 219390 216791 239738 0 173669 9S,11R,15S-Trihydroxy-20a,20b-dihomo-5Z,13E-prostadienoic acid 3602 4237 5455 2290 4687 3284 3721 5559 4885 5644 6417 3958 2622 12120 8777 6175 7964 6519 3246 3944 10377 5149 4677 16423 25083 18285 3292 18069 29607 9S,11R-Dihydroxy-15-oxo-13E-prostenoic acid 38557 42352 40185 48473 40763 56270 53041 59753 42655 36242 20676 35806 38510 49776 47244 54139 38923 39505 38312 37439 37777 36141 32825 33528 32337 35401 34944 38961 35474 9S,11R-Dihydroxy-15-oxo-5Z,13E-prostadienoic acid 22601 16421 9142 15364 18496 15414 13440 8858 13065 16916 18067 23559 20577 21431 29344 22852 24188 25177 15862 10791 17737 17322 17488 18148 26513 39424 5985 6500 7804 9S,11S,15S-Trihydroxy-2,3-dinor-5Z,13E-prostadienoic acid 79807 50322 64498 80042 92012 44167 71210 51316 87895 84332 53599 77869 83478 68368 48254 75243 50229 146761 72262 70069 42071 53862 61706 60957 98490 78414 81302 66830 65682 9S,15S-Dihydroxy-11-oxothromboxa-5Z,13E,17Z-trienoic acid 7632 14105 6807 16410 6334 25401 14367 12044 6414 6790 6245 6231 8500 7021 9508 11264 6212 8444 6297 8606 5893 5985 9695 4952 3870 3190 6014 6438 6519 Adenine 45210 41106 126703 54131 42633 79126 76463 98053 41791 117723 59185 33973 85650 41380 49023 122137 26307 58659 37104 154835 117488 24361 29782 24837 18811 18213 27680 20759 17700 Adenine, N6-methyl 6949 9388 5568 6811 8309 13533 7325 4257 6791 6113 10431 6152 9046 5108 10183 7249 9183 6545 5896 9276 10010 8375 11373 8031 11234 10412 11974 10973 10980 Adenosine 242366 320280 456738 276027 488175 248352 350992 324644 349760 728298 192985 118782 182966 132675 171133 284304 124633 222381 143784 319866 234696 117227 182958 80099 83749 65203 133112 58436 73026 Adenosine 5'-diphosphoribose 19494 20213 18059 48399 33300 73260 23658 17000 20240 14262 3875 1996 3042 7379 9471 10841 2465 5262 1663 7255 2507 76243 41674 43437 38626 3396 22376 24414 4826 Adenosine 5'-monophosphate 99815 231176 86264 182053 60375 345462 186948 103886 40779 24327 22446 13549 83804 68022 64966 89264 14011 89144 12057 60929 30293 43376 30656 6992 17714 22064 41225 7708 11438 Adenosine, 5'-S-methyl-5'-thio- 1939 2022 2053 1869 632 3084 1591 989 686 3254 2768 632 3434 2482 1780 2132 4609 192 2026 1634 2866 544 5028 1105 1241 3820 2111 2177 4239 Adenylyl(3'-5')cytidine 35202 21563 22074 27112 29670 48307 53491 47195 39591 55950 44294 39061 32427 30705 67912 41719 31679 9191 29021 51716 37466 29487 43802 4436 31206 4606 50586 50641 61550 Adrenosterone 94329 79480 188954 160458 113552 137387 195073 114838 90287 184698 45309 47270 94377 39266 107166 100257 61085 113074 41540 115476 83096 239235 223242 171114 237189 235499 452248 276497 209834 Aflatoxin G2 62823 53623 59861 42493 65706 34434 41552 42471 54000 76691 54690 70298 47249 91331 45683 31281 58114 56908 51939 43363 44248 51038 55627 43794 36021 46794 44430 52316 44044 AICAR 19120 17839 16499 17058 19830 23922 15352 19610 41349 21488 44030 10457 64050 3453 29604 70509 19993 36067 45242 18127 18689 83493 95853 101806 91044 61226 42194 60467 59807 Aldosterone 85044 90715 97010 89963 123859 80703 102124 41259 63042 84527 85860 136903 96807 94969 132980 119561 138487 117531 100533 50616 70958 79738 80216 74260 85100 134141 24365 19974 31440 Amidopyrine, desmethyl 1640 2510 9413 731 942 10874 640 3399 1318 3603 960 1017 3277 22472 48533 986 1166 10349 0 2314 435 19428 12362 6707 12609 7882 9808 4016 15018 Androst-4-en-3-one, 17- (1-oxopropoxy)-, (17beta)- 65799 70614 73335 26588 33010 74301 25932 71227 59925 16493 84342 19414 51838 37856 71449 53545 33223 57619 84319 64120 50342 61622 64309 28 51029 46414 48475 29609 43206 Arachidonic acid ethyl ester 21431 21539 25069 24625 31444 34592 24491 26268 28596 26329 18103 25266 26543 29147 24831 26375 16736 26486 22543 29635 25423 23701 21341 23486 17652 23499 29816 26656 27633 Arachidonic acid leelamide 34482 36834 43385 33582 36149 32576 36340 36115 38482 36342 41565 35086 38594 37058 37279 28848 39484 49392 48837 61212 69745 37740 27442 26267 93674 51935 31087 36808 54368 Arachidonoyl amide 83046 29067 25409 79506 35339 76292 65723 85082 37784 74074 82198 37289 63093 0 62885 72934 36678 39806 42388 80133 80192 15759 0 27209 14447 19685 35421 23008 14515 Arachidonoyl p-nitroaniline 129318 116219 104543 160139 104888 91428 118478 113913 112611 128533 96585 116142 173366 117709 131554 165549 127866 143050 102863 145646 130036 140143 134311 78036 103346 123997 95994 96476 27227 Arachidonoyl-1-thioglycerol 67676 60508 57180 71547 50536 83429 73729 88673 69427 77750 65113 53084 65843 49222 78913 67919 61799 50818 54432 57371 68010 54085 44865 42851 42142 35835 53108 49531 43003 Arachidonoylserotonin 18338 18267 16662 18786 16844 21308 18105 18344 13942 10728 15752 8792 10626 11434 21180 10676 13723 7736 13656 14322 16295 28281 33765 11544 27727 24633 14715 13335 10950 Argininosuccinic acid 2904 25960 17063 5626 22094 8628 6342 7226 25977 6227 24566 19402 2464 21760 32672 0 22623 20072 19335 5589 0 24030 18482 18669 16179 24089 9531 15320 14401 Azelaic acid 681 3081 1906 1503 2470 3873 704 1539 2146 1507 2651 2619 0 2895 6260 1693 3110 1928 1312 600 3215 2152 2686 1097 3016 2160 266 1923 4547 Batyl alcohol 4641 9920 10010 3747 7110 11823 3028 11896 4741 5092 9090 6565 3893 5347 7241 4171 10912 6994 3976 5591 13932 12044 11971 8196 5880 0 6661 4963 4334 Benzamidine 7068 4989 5290 4907 5522 9515 7365 3700 5341 5833 4152 7178 5691 11941 6638 9191 6241 5689 3766 9065 6517 9717 5494 7590 7609 6107 7544 6712 8515 Benzenamine, N,N-dimethyl- 14500 23797 28555 10877 14935 25703 10746 14710 24011 7798 44051 22359 15848 36396 46784 13944 22713 34733 31733 8456 45885 18904 23131 17015 47917 20706 10576 25435 20812 Benzenemethanol, alpha-methyl- 41909 34116 24946 28407 40084 30845 32060 24772 26467 36619 41834 40270 38854 42651 46635 46867 40074 35253 35934 20616 24846 32722 40720 25965 18649 35154 0 21418 21697 Benzoic acid, 4-(methylthio)- 12529 21794 19685 17790 20355 15283 18107 17761 17874 19088 18332 20416 16530 20574 17967 18949 21575 25308 15744 34968 16319 20556 16956 13646 13751 14601 12622 7797 7737 Biotin 7851 11068 10381 7820 9981 14160 10835 10315 9708 8757 10714 6139 9742 6757 6543 9694 9478 9459 6887 6958 7493 1331 4261 8887 6351 4168 4667 3415 8378 Bis(4-fluoro-3-nitrophenyl)sulfone 85540 81858 72839 61215 78379 85901 49151 69694 88927 106109 65079 81399 18704 97451 109633 71711 67485 46772 47761 20571 72940 42895 57529 81451 53052 68260 55711 45157 19441 Cholest-4-en-26-oic acid, 3-oxo 79876 56415 42544 62349 74362 52050 60871 80480 60044 43377 68294 71348 81614 57361 77244 46091 63148 70989 59525 86621 55796 59504 57121 65388 0 83208 48524 59999 63541 Cholest-5-ene-3beta,22(S)-diol 34116 22702 18296 22089 24001 20943 23656 20079 18652 29243 14559 21886 29321 26389 25469 31630 26088 21898 21491 76988 29188 39612 35405 54211 27495 50355 53645 51326 59145 Cholest-5-ene-3beta,4beta-diol 36300 38843 35671 44320 35613 42618 43144 45863 34208 34893 40184 33257 34066 37006 47347 43867 41138 33318 41606 33085 38619 36167 42319 31837 40212 45911 39745 43532 49527 Cholesta-4,6-dien-3-one 11497 9674 15746 20201 11961 7341 17272 9670 11890 14370 6778 16389 22063 18761 12418 11197 12701 37839 15726 16364 14159 15415 13726 21590 6391 14292 8724 25269 9087 Cholesterol 2171 686 3137 2579 1470 1551 1221 2384 997 1197 1082 1372 1756 1831 2826 3186 1993 3256 1750 3266 2129 2103 2159 2666 3071 1221 1834 2690 1461 Cholic acid 1812126 1305721 1618020 1584694 2074595 1267164 2448401 2027378 2319089 1039200 1876881 2077957 1055337 2126659 1265405 792923 1218714 1827358 2411196 1856712 559994 715371 866465 1862620 2463734 3436834 761028 2507421 2455773 cis-10-Heptadecenoic acid 11342 13338 11253 13286 12511 12924 11079 18317 14063 13522 13050 11942 15708 21092 20152 13741 18439 15838 13285 20375 18963 15550 17611 16372 12596 14967 14865 13296 17404 cis-11-Eicosenoic acid 207971 153451 131979 265358 190496 69590 233804 295637 173355 225522 80868 194745 221152 150771 136112 109790 168592 124771 233215 78563 72486 173910 115015 168502 105727 164133 154652 121862 160901 cis-13-Docosenoic acid 200319 230386 193812 215869 207943 231339 204834 192583 252247 170512 251656 248248 216593 194623 231250 178929 210351 219953 292542 258103 292923 64655 49689 80862 194818 177177 58091 73371 77097 cis-5,8,11-Eicosatrienoic acid 106290 62055 89433 240541 134599 69726 198026 161548 105571 193467 69384 113083 128126 60031 49419 112590 58040 38462 92694 55536 49926 41474 42862 73111 41441 44186 68435 69430 52537 cis-7,10,13,16,19-Docosapentaenoic acid 55637 46690 51902 66786 67732 57028 68965 63953 54071 69639 38923 53156 55278 57686 52929 48007 45252 42990 63924 49244 41589 50402 42720 53784 32024 44661 58768 46446 38929 cis-7-Hexadecenoic acid methyl ester 18186 19869 16489 19909 20238 20728 16832 14943 16437 18453 14120 10541 23530 15014 26848 20540 8841 12991 17795 12598 11649 8357 9579 6835 8681 7206 8279 12581 10774 cis-8,11,14-Eicosatrienoic acid 21358 17481 18599 19175 26401 16014 19976 14828 16826 19809 12143 21739 17840 15570 9006 20670 19445 14758 19401 21500 16395 19241 21175 15125 11273 16357 16291 18965 19494 cis-9-Hexadecenoic acid 50083 39699 34065 48976 59588 44073 37392 45270 45675 43913 46769 39725 62596 39374 50456 49790 38779 45043 47049 46861 53346 32146 37332 38419 33346 34426 37731 35662 38356 Clasto-lactacystin beta-lactone 52432 35929 45416 56658 20544 71072 71156 51097 25204 83872 51641 52410 70856 46357 35436 69548 23816 34770 19040 58305 36334 10247 16024 22734 18456 12946 18045 12511 16699 Conjugated linoleic acid (9E,11E) 177262 209240 208117 222667 317442 174949 211434 161884 257688 237963 127202 161226 251238 124853 180630 206824 126945 143329 205349 146081 99952 139051 149215 154443 111940 157117 158413 197944 161983 Corticosterone 132993 153003 239482 300725 250353 306224 301628 190503 270736 343327 127009 181258 198234 202647 210688 229866 119489 125842 150477 167532 130184 218035 219764 184254 162973 162749 289248 467546 321678 Corticosterone 21-acetate 133030 223545 164493 145626 282083 191232 188592 165802 246316 134217 173331 238896 137746 160473 373603 177669 160623 151577 180968 302664 187672 179859 193012 499041 193742 415720 223539 581760 474972 Cortisone 6035 4588 6649 3517 6000 5223 6772 4541 5065 3707 4351 5187 2561 3266 8245 5602 5167 6558 5513 6497 4335 18638 33912 6923 9653 1558 12944 4209 4696 Cortisone acetate 4689 13678 12275 4391 12247 3936 6126 7276 11007 1413 7030 12657 8201 15048 8953 7777 14054 13257 10116 8113 6261 18332 12939 11346 12900 17413 12425 12383 16411 Creatine 32705 12023 14133 8646 11657 5644 19396 50018 6905 32163 27747 18533 0 4324 10660 21123 66851 16991 5392 30363 110037 216701 306263 187195 292324 248674 308332 70472 166177 Cyanidin cation 0 24154 13289 0 16500 25520 9481 0 16003 24708 13289 14460 11336 12838 11690 9437 17858 22498 10697 0 6777 21451 14915 12988 17094 12251 29574 12108 10738 Cyclocytidine 8312 7189 4422 2733 5137 8973 11253 4937 5532 7114 6787 3087 5361 3426 3933 16032 5524 8123 5613 5385 5357 4981 2922 2571 5618 2724 3128 1470 3617 Cyclohexasiloxane, dodecamethyl- 11958 13182 11230 12033 10270 24807 11812 12798 11867 8812 8741 6585 10944 10045 21989 15739 8096 11356 7282 11970 8066 14153 11337 19731 26166 22004 19222 18792 24971 Cyclopaldic acid 406110 509675 418789 509965 472648 471579 166262 473365 139726 534055 144034 151171 541664 625132 261665 543193 352531 557110 328369 2046164 514780 578653 406019 400483 464855 439349 701455 169432 393384 Cyclotetrasiloxane, octamethyl- 6163 6283 4279 5783 5581 5035 5548 9543 8233 5561 8027 6216 5370 5888 7157 4809 9711 7508 5655 6462 6044 4196 4165 7438 6966 6884 6197 7557 5524 Cyprodinil 7206 4992 8413 6022 8963 7603 3925 3783 5884 4301 5085 3750 6917 7640 5357 3121 11551 6641 5511 0 7344 8319 22599 22603 22857 6680 23014 20881 26266 Cytidine 2148 3475 976 346 1844 1824 648 1615 1832 2320 2917 1094 3886 1716 1015 807 1825 2176 1712 404 2838 2086 1954 713 2120 56 1322 1269 2184 Cytidine 5'-diphosphocholine 2216 3716 892 2614 3331 2525 2202 93 2415 1757 3401 1025 1000 2086 1845 2191 2276 839 1719 973 2929 2198 2518 5076 2405 1090 1247 3850 0 D-(+)-Arabitol 3163 34545 36164 17521 35643 24362 13756 10195 39408 20735 30971 32208 17779 63561 4714 17442 28941 43718 32389 15148 17461 22171 16119 17662 25093 17188 11273 18831 14988 Decaethylene glycol 121999 171351 141387 110048 156482 160828 139596 140078 126838 167821 88727 121666 137598 129904 147265 134056 133524 178357 126186 93479 100201 148702 147202 85692 136023 107033 102529 115688 96181 Delphinidin cation 88917 85564 56499 80153 80395 84210 70806 84787 79668 71532 90948 65642 70616 64146 92150 84696 70868 63134 90950 68621 105941 65876 51241 83083 42889 45782 77646 52357 31966 Deoxyaconitine 3395 4254 4118 3301 4765 7741 7555 8256 6649 5582 6828 2997 6421 5588 10415 6408 5948 3190 5552 5219 5752 6303 1201 1747 689 5049 3356 3575 1950 Deoxycholic acid 929081 935036 773608 1105573 942731 1056225 957482 889761 1181110 766954 1275496 1261619 1006907 851696 1201289 819368 942186 888941 1153838 1525051 1861410 52160 43065 180703 957681 922196 43811 207978 235653 D-erythro-C18-Sphingosine 8353 10823 14388 9685 15173 8351 8254 6574 8889 7653 6808 4934 8418 6403 11689 7234 5099 7654 9950 12290 6759 6990 6151 9925 7752 5365 24038 11874 3281 D-Gluconic acid, delta-lactone 3709 5825 4636 3968 2966 3137 5750 3141 2070 3017 1716 2892 1715 2356 4147 2974 1993 2187 1131 2177 4929 1945 2570 2571 1869 4980 4366 2894 12212 D-Gluconic acid, permethyl-, methyl ester 5262 5074 5500 5304 4947 6489 6637 6295 7707 4061 6123 4462 7785 4312 4958 2638 5120 3696 7147 7486 4805 3611 4467 5157 7568 5983 6598 7503 6543 D-Glucosamine 1-phosphate 10294 13404 18703 16704 20864 14755 21014 22582 16854 11608 18698 7800 14957 8235 19232 24042 10401 13560 10279 11439 13542 14200 19128 28822 22433 20152 48404 19985 25861 D-Glucosyl-beta1-1'-D-erythro-sphingosine 652 18085 13342 1284 15498 2039 0 3873 12685 11653 18017 12967 0 7973 2590 1324 13854 16896 15846 0 0 20187 19109 14910 18616 11185 13770 24100 23047 Di(propylene glycol) butyl ether 979 1405 2621 708 2578 774 1522 578 1178 2965 679 1312 456 1343 1471 1808 3533 1873 3462 733 246 1560 3123 2128 879 1890 2565 916 0 Dihydrotachysterol 266292 388574 381316 343031 354477 426947 404400 363313 368969 492549 271108 326010 381857 345749 361809 364140 379125 331849 278128 353772 308263 345355 343589 361870 371748 392145 345890 266629 349905 Dilinolenin (9c,12c,15c) 5048 1907 5842 5003 3258 5271 7950 3932 2627 4291 5325 3666 1737 3627 5598 4758 3530 4761 4711 9782 9615 6495 4143 1782 6151 1427 5737 2736 3958 Dipalmitolein (9c) 87579 97572 88691 98802 91022 100586 91991 78012 80274 107573 62303 84327 98515 94193 87902 98388 90488 101449 89518 83364 93307 68061 79525 78490 81868 95260 61065 66175 61352 DL-Indole-3-lactic acid 87207 112803 85408 110782 103339 124555 91905 100423 109477 77700 79708 74253 77506 130092 105739 119346 97790 68281 68736 172881 92938 53562 44530 72466 39169 64292 85835 108129 60406 DL-Mevalonic acid lactone 6257 15193 9866 5986 7472 14927 6180 4903 4762 3376 2121 1761 4517 11517 10156 5085 3124 5251 2986 3091 1848 4290 2486 1754 9048 6722 2776 4738 7027 DL-Norepinephrine 7851 12366 6857 4848 9819 10226 5344 7858 11692 4998 7671 6233 6245 11786 13673 6286 4066 3612 9166 3966 8429 3643 0 7727 10139 9012 0 11122 4294 DL-Norleucine methyl ester 1844 1804 4888 3511 4391 4401 3464 3476 7574 8102 3581 2959 2751 4631 8239 2974 9667 4631 2993 2605 6727 6929 4591 1326 4377 3951 3857 2951 3546 DL-Octopamine 14055 3664 4707 7120 4875 15702 5645 7328 6847 7346 6492 9359 12295 11934 9541 6573 5400 6852 5844 8650 7792 7055 4044 5912 5490 5179 3505 6787 4728 D-Mannitol 10034 2308 4985 6147 4850 11583 4755 3892 5855 5048 5199 7522 10843 8734 6134 4630 3559 5266 5247 6882 6428 6831 4777 5007 4652 4514 6266 5145 3450 D-Mannitol 1-phosphate 3280 3612 1818 3523 1870 2347 2010 3469 2962 2201 2487 2938 2326 23956 12328 2468 2186 1490 2538 2164 3860 2373 3590 4085 3823 2586 4452 5130 5432 D-myo-Inositol-2,3,5,6-tetraphosphate 5443 9463 5831 4662 10000 16339 4287 7730 6713 1851 3375 2627 5501 9271 21449 8747 6877 9887 5370 7048 6141 6915 8411 4708 17959 18814 2985 5172 6277 Dopamine 17565 25173 18268 22196 29528 21470 11702 17912 29866 12133 3037 7087 1812 3819 3497 1090 3487 1953 2477 11484 6991 12108 7148 1794 19910 15199 12437 4212 9134 Enterostatin human 9086 11949 9485 9946 12035 14051 19557 13131 16319 10565 16388 11000 7311 10792 14350 13114 6406 9752 9440 17303 20736 2994 11245 5761 2955 4360 5172 4691 7678 Epitestosterone 23330 33239 18502 13093 23984 29760 15607 16673 29938 16741 22122 12132 23281 31871 46459 37267 25655 12211 18729 18728 35532 21942 23800 22015 30924 42685 19912 31282 37843 Ergocalciferol 63960 84464 92235 77847 71344 51477 90812 71646 84168 102412 72267 46905 75109 75675 64341 71463 64076 55441 60088 58307 64235 57313 61527 56620 49771 41306 74161 60249 67285 Ergothioneine 18442 10000 18162 14178 13831 24100 12675 14695 11029 15695 18400 11674 4930 8524 2917 5296 10067 9654 15466 7228 10954 2385 3385 3718 144 1065 4257 3831 5065 Eriodictyol-7-O-glucoside 15176 20398 22282 10866 21861 17735 13521 16577 24218 14357 21172 14391 9501 24268 21696 18459 22801 15185 22805 14675 17592 24915 16826 20732 28134 23894 22055 27345 23750 Erythritol bis(carbonate) 2997 1867 3013 3352 2914 2429 3766 4049 1558 2729 3104 2754 2801 2739 3459 3329 1235 1995 1653 4792 5657 7111 3102 7723 6697 4278 4349 12179 11693 Estriol 16alpha-(beta-D-glucuronide) 16900 17635 17976 21710 17997 13203 16336 21484 9779 14794 13681 15407 26389 12674 13567 15054 18866 17103 17795 20036 22603 25953 18978 6704 12535 12134 18619 20500 20673 Glutathione, oxidized 11983 5372 9173 18504 10150 7541 15310 10283 7884 32328 17538 29940 8288 7011 9517 12699 14619 10198 8157 13263 8097 12722 16687 9329 3909 6936 9578 13580 9096 Glycan 3-Fucosyllactose 4216 45781 385 3168 30121 16743 2022 3966 60259 1993 2099 14051 7212 51838 18371 4832 17657 15098 13786 3519 2301 1283 958 36453 53972 50051 3123 0 3673 Glycan 6-Sialylgalactose 1200 4251 7508 1095 1485 5364 1777 2897 1432 1334 685 1387 1136 1887 22 3372 4047 4384 1392 2549 444 1379 3184 771 6122 0 5045 5369 18770 Glycan Chitobiose 81049 63746 30773 46985 59216 29427 29624 59151 25085 35959 25452 17333 39269 30055 45044 25252 76572 64398 63952 24617 30051 36454 46513 13476 0 0 23469 0 0 Glycan Lacto-N-triaose 7706 22616 16901 4573 11676 7045 6477 7498 19420 8854 16657 11081 5240 28511 17469 7753 18156 13577 14474 9207 9585 30289 30014 13355 29183 27585 19918 15461 14349 Glycan Le-X Trisaccharide 7087 6665 10197 3822 14067 9334 4082 7754 6873 3521 3591 2935 5487 6323 18377 8165 6912 9517 7390 9311 5284 3878 7695 2087 5421 5051 3758 5071 3941 Glycan LNT 3472 4819 3237 2753 2463 6399 3089 5070 2727 3484 4254 1700 2473 4190 11040 5164 2785 2524 1525 3193 3712 2680 4294 4372 3897 4342 3490 7788 11063 Glycan Man1 5632 7689 4601 7196 4828 5306 10520 10638 4164 8072 13299 7713 8264 4765 7851 6573 4798 6759 6002 6475 5839 4110 2250 1830 3691 1434 0 2280 4093 Glycitein 28944 20622 10637 29728 17924 39818 24587 46270 24481 47174 22982 25620 17709 35083 38905 16133 12970 10590 15064 28815 33457 6202 8221 19651 10206 13054 23915 10726 9181 Glycocholic acid 11142 23298 14345 11564 27109 5442 8867 9707 5694 7901 4862 13781 13856 10052 16966 20855 5263 22633 14619 12450 10243 52176 35781 14253 21738 5878 14674 8333 8632 Glycodeoxycholic acid 120928 110252 79915 101449 127585 96193 87175 102047 116069 71689 104851 103199 156785 94800 146368 86435 121652 128820 119681 119533 73513 108390 96489 79658 81675 139285 102267 60046 99120 Glycolic acid heptaethoxylate 4-tert-butylphenyl ether 9274 26174 20924 12983 17756 11725 11544 11910 26787 11829 4771 18887 8901 10162 14516 9275 12392 17650 10288 13018 21787 23308 22237 12560 23977 18208 28955 8454 5389 Glycolic acid hexaethoxylate 4-tert-butylphenyl ether 105688 82412 94820 125032 88972 95946 88923 87979 74042 101229 92297 88090 112203 84981 99285 128846 106898 125823 103529 123319 115503 114491 89945 115821 78049 99201 108697 118998 91411 Glycoursodeoxycholic acid 14582 28261 26934 19599 23879 17238 24818 18078 25536 16380 26314 17908 11672 19934 19 13255 25944 25258 25683 17238 22312 0 21686 20350 28851 24582 15724 19858 18486 Guanine 20728 39355 37351 27026 21207 60147 27740 28616 28364 27499 24114 19187 22595 40112 53687 22713 45028 24920 21963 18387 28315 43324 21933 20078 47093 42986 21917 30154 65992 Guanosine 5'-monophosphate 9221 17819 10736 22794 11821 14044 27825 23012 15237 5197 5099 2276 10370 10719 8040 3910 9912 5665 7533 6079 4220 11437 12154 5514 17348 8236 12496 5653 6414 Guanosine, 2'-deoxy- 6415 5752 3280 6857 5779 6999 10082 6911 7223 7106 9937 7028 8854 5162 7800 8801 10189 3251 6442 6285 5686 5757 4741 5900 4817 4694 5400 5227 5411 Heptanoylcarnitine 6984 4995 7427 7378 5850 6533 9238 7895 3230 6448 16806 6873 7728 4027 8985 8613 5238 10022 11732 9526 16284 8653 6173 7021 7654 3095 3285 3713 3794 Herbacetin 2484 2972 2322 3692 2685 4814 5501 9311 2259 2869 3200 2825 3546 1772 9212 4218 2143 1617 2402 6253 3856 1672 281 3848 2149 1972 1680 1411 3278 Hexadecylacetylglycerol 31911 19470 24090 20032 16698 20399 21919 25448 14240 30679 19368 18909 35616 21890 30060 38508 21819 22774 19133 28041 18457 45401 42259 4985 13911 31786 83572 52553 63360 Hexaethylene glycol 1056319 1254120 1108258 1047176 1070823 1163859 371702 1111494 290969 1171490 311291 350513 1160758 1274156 615686 976587 847372 1101646 837236 3427855 946704 1261336 1146636 867218 1106173 1011198 1680664 359540 912669 Hexanedioic acid, 2-amino- 37186 28871 73953 45844 43950 251162 30215 48060 29125 28043 50127 43724 14510 134146 210289 19812 36558 29307 27412 7904 17947 13092 12998 8589 11424 10186 7252 10712 8423 Hyodeoxycholic acid 270304 259683 208718 396 240859 509 0 87 322639 239917 303473 326735 263496 207998 311 231953 244255 232212 306013 395903 445 22287 19401 14784 0 280454 51796 494 85148 Hypoxanthine 410464 842875 423955 269465 338316 1355016 285402 510051 582058 301678 503452 334935 291584 553264 1301846 519060 761562 289023 339310 361819 596484 211760 171952 586223 424550 483529 202887 297872 445722 Iminodiacetic acid 1685 2537 2608 2479 2949 2668 2250 2449 3192 1945 3736 2712 1745 4726 4741 2203 3050 2994 3355 2843 5450 1902 2482 4778 2517 3301 2734 9782 4348 Inosine, 2'-deoxy- 16429 13450 13706 15126 25483 13467 16257 12919 13593 16636 14372 12023 17576 15614 17414 17951 13308 11519 19779 14429 12356 15042 17827 9899 8658 11891 15830 14265 14183 Isovalerylcarnitine 7925 4858 7168 12926 7678 2818 2118 2981 6316 4968 5121 9637 6043 3174 1706 3061 4694 13273 6713 6044 8224 67128 42510 25719 75550 34096 22485 17066 12130 Ketogluconic acid methyl ester 6459 5712 4060 6624 8074 8748 7186 13109 9049 6062 16774 9138 7697 6315 12551 7901 8671 5834 5547 7964 9185 4940 10754 14570 6999 5585 8570 10703 6609 Kifunensine 16076 11317 9175 15018 18977 20482 6657 15465 14043 16769 25395 15809 16373 21181 24553 12052 24877 21261 27937 20088 29917 10403 12100 10817 6704 5889 6816 8959 11327 Kynurenic acid 5988 8450 23449 7753 14922 2770 15399 7930 11924 19098 24908 9724 10628 2289 0 7958 28745 26574 10893 3966 6948 30875 5913 8438 10581 6907 5017 7503 7243 L-(-)-Arabitol, permethyl- 11433 11958 9475 9389 10581 7388 10396 15419 11245 10570 12017 9158 11069 13207 10537 8198 12474 12506 14374 13733 8514 10289 9192 14862 13963 11616 11324 10273 10856 L-gamma-Glutamyl-L-glutamic Acid 68663 101550 64625 55402 53614 180594 50522 90878 70508 48438 74534 46615 48818 139829 203018 61786 41857 33036 47971 40811 78139 20144 16606 31625 50691 45208 19204 63231 53170 Lactacystin 13195 7845 33843 23151 6774 9543 23242 26833 7366 29522 27638 21689 18670 14783 29114 33164 20255 28621 48616 33550 108769 39305 40732 23946 95518 22568 34235 13325 89273 Lauroyl L-carnitine 291657 95594 209474 598284 272099 77024 447359 408923 286443 521652 118337 246135 203905 41745 55818 149167 67429 82365 189031 142846 90237 132775 92865 117939 50864 62447 120211 123970 68481 L-Citrulline 1707470 1361436 918722 956383 914834 1804816 1098965 1252269 960382 623170 1555834 929684 1039483 1679823 343310 875658 825415 624817 1210350 1009360 1286642 58586 131685 45097 58088 60921 125262 28967 44865 Leukotriene B4 16677 14464 12715 17390 16436 27420 20937 28343 21755 22056 16416 27503 36936 21937 14226 32011 22248 30573 22364 14075 22229 19084 17847 11711 29202 28882 23022 19150 10978 Leukotriene C4 7091 7971 4111 5463 2282 6605 5421 7166 4330 3273 5906 5868 3040 4055 4414 6956 6776 6555 3737 6903 991 5188 5448 5259 3819 5677 5297 3601 4693 Leukotriene D4 methyl ester 59366 45459 21655 51649 23654 49663 49814 51330 27331 46993 40255 38237 49558 17311 22271 48079 47461 33002 21674 21281 29538 272762 302792 247007 126876 226234 108534 119821 140145 Leukotriene E4 25198 20234 22936 28357 21257 18905 24880 24045 24052 30054 21658 23290 30131 15119 24891 30090 28852 30370 24883 23326 19742 25171 21407 28273 4 28166 26647 7 5 L-Glutamic acid 1425825 1311617 913003 949326 976397 2743007 902494 1388623 1096303 840615 1330650 898254 913752 2679721 4866548 1052625 846800 610200 938905 897397 1126913 315290 321645 536060 791280 656125 356360 907240 434442 L-Glutamine 212982 154574 139589 186353 157844 438788 214180 179250 151318 197762 201166 173142 198325 431515 282949 251845 171865 150854 136898 239913 175027 121085 98680 154485 147164 114071 109157 103005 108866 L-Histidinol 16717 22399 9987 23478 16026 71076 16930 24874 26214 12046 22092 9652 14571 45057 46399 29952 13233 22935 11759 22511 13941 64237 54881 120820 10680 13426 166850 117383 16973 L-Homocystine 20983 29304 34548 27701 38950 21661 28544 29549 34226 59586 18664 10578 18894 18710 24984 25276 15875 20835 17384 27856 21308 12159 16104 13590 13152 11685 11129 7016 15224 L-Homoserine 120477 101529 81072 85923 84676 215447 63283 133672 98583 81507 116347 73492 75329 220710 415947 86282 77740 48377 85482 82349 111037 26327 21449 42204 63846 57752 26284 78479 43088 Linoleic acid ethyl ester 472716 228443 354699 900665 489129 317589 708800 591001 416324 809624 219136 392709 426777 305728 245729 309382 155737 139091 352387 154630 150792 127116 128087 231272 84754 111845 227830 225098 160892 Linoleoyl ethanolamide 42370 53274 206020 205187 58075 24620 145270 111184 44189 209706 52866 95968 104556 26869 41440 133151 59965 107568 86180 172719 86837 90811 89790 264078 192655 146955 112184 216989 48816 Lipoxin A5 187372 197840 132100 193903 221179 180281 186868 124817 152345 186120 248037 286672 263746 329713 341563 319330 345751 246571 181046 153905 235586 218951 216206 221246 252650 380619 57445 74661 109548 L-Isoleucine 3363507 2160981 2143457 2585431 2478775 5584006 2565616 2240638 2509366 2291763 2146494 3167489 3204142 4049024 3017766 3093569 2360017 2274156 2519726 2856309 2204925 1526989 832247 1114951 722531 899676 836078 900248 759086 Lithocholic acid 339891 345997 257051 488897 240187 301564 350220 464933 377638 171527 428921 275416 312329 286029 439724 303023 386252 341225 426872 333856 465100 0 27405 51 287171 154313 33145 47753 58866 L-Methionine 169414 247356 231977 179597 203695 288931 198304 198920 216227 185879 198917 182174 229259 220789 289168 253372 278519 240598 242602 128684 174446 219093 125286 103719 103046 119172 60158 81444 76730 L-N5-(1-Imino-3-pentenyl) ornithine 9180 12995 17116 19567 18325 14203 17256 15047 23789 21475 22440 15596 13702 21935 4626 15262 27977 17857 16716 29990 16093 14217 8850 22040 30510 8503 18104 17545 52976 L-Phenylalanine, N-acetyl- 30941 28288 25633 32442 20784 16732 29150 18803 25596 20214 35427 29145 36036 38588 21218 28712 24756 25316 28435 31492 20528 18832 24076 22784 15317 12207 20510 20574 20620 L-Proline 88983 138676 117277 144559 196653 146399 74066 120791 168601 91554 15733 42430 10601 22761 6259 10824 13310 14291 13091 62406 41002 3873 3502 32461 69732 50445 4107 3740 29805 L-Saccharopine 2821 19350 16040 5000 12154 13051 2901 3721 18280 1978 9881 12466 8498 16025 14385 3693 17690 16578 10292 3070 2020 15696 16415 115225 37834 350128 12722 299764 155351 L-Sorbose 16132 22752 18105 13986 20800 25985 31532 27279 24313 22184 23113 14362 14825 31813 40588 24581 20823 16210 11907 31500 28225 20084 18714 25566 27201 39439 22611 23838 30267 L-Thyronine 11544 5208 7517 7506 4110 4094 8055 9962 4465 9891 10272 9309 9271 4526 0 6107 4477 3833 6592 4688 6582 5826 8283 1757 5434 4548 11377 2256 9692 L-Tryptophan 73278 99547 73679 81856 83687 91606 78056 73230 101528 51782 71238 68683 63840 108339 90401 104024 83385 64998 59431 105212 72565 46734 39412 50585 39921 49656 37832 93860 63100 L-Tyrosine 296576 120859 172613 197791 154184 399067 158456 157991 180404 175726 177742 239422 264894 267590 243880 175427 151319 192267 191676 223542 183019 195911 135935 148460 152273 133601 118722 167426 126104 Maltol 3944 6380 5274 4720 4756 22897 5024 7447 3137 2694 5693 9659 3376 13005 15556 4696 4476 4465 4314 6004 11194 4412 3024 0 0 4621 1007 2252 3448 Maltopentaose 8131 7779 4409 8879 3158 12880 11903 12010 9299 14332 6453 4789 10166 7326 16186 13459 4837 4561 1998 12600 7139 8937 8392 10540 5650 13641 15231 13582 17156 Maltotetraose 9724 16537 14106 16868 18616 23560 23792 25575 32326 38967 13738 13548 18650 19810 27144 19445 20139 8186 6480 15015 10316 51018 51380 33947 44299 93093 50939 27036 49180 Medroxyprogesterone 26904 29777 29633 16063 27555 23620 13189 15042 25119 24650 20271 22250 5809 25375 15464 19199 19325 19864 19570 6330 12436 16949 25212 19394 16181 20237 23922 13445 10477 Medroxyprogesterone 17-acetate 318313 440479 364699 367091 379426 460573 298369 412456 241914 491110 151620 215180 408472 402378 311187 387833 321830 428116 293390 433230 302116 325632 345278 283030 332901 371573 369228 165657 281986 Melibiose 9823 0 2085 11986 2314 21775 20705 14260 23901 9002 11235 5938 15543 38811 24833 12557 4484 2026 3323 10939 9996 24593 3115 9928 29325 24176 20484 28399 34955 Mesoporphyrin IX 20609 17010 16402 19151 17616 18469 18006 17339 18388 19250 13588 15384 22364 16015 19045 21437 17153 20210 22077 22589 27924 18194 15517 17967 29212 19050 24373 19288 26229 Mesterolone 130022 131189 148306 116195 129237 114986 137020 97860 114861 122404 127030 172781 133221 123228 124696 149495 138824 193012 159180 137883 125392 137240 130992 109735 136686 156373 131410 143582 146690 Methionine sulfoxide 85039 79742 69986 104126 59233 78003 154297 90585 84804 102304 67544 64600 102192 37552 16953 92195 64397 78322 66215 99102 76748 99020 82363 70339 58975 84081 100035 73124 80472 Methyl 12-hydroxystearate 62979 60956 59909 56908 90033 56882 28659 28113 32332 50376 22551 29329 57898 28844 98351 32350 26333 26610 50067 30509 35728 15152 22275 37729 31522 21418 20415 41323 25231 Methyl 6,7-dimethoxycoumarin-4-acetate 3815 3481 2854 6508 3703 9051 6912 13414 7886 8896 10112 5068 8481 12375 14765 14224 9467 518 1202 6878 5130 1327 1594 4374 0 5854 9157 8093 3550 Methyl hexadecanoate 33888 30415 33100 28797 36376 40113 63193 0 60810 41575 34269 28639 36459 32664 53892 62709 59829 23971 0 34700 47571 31012 26754 15188 64572 46000 30652 22710 44577 Methylprednisolone succinate 214228 118169 385351 343112 337913 75422 520582 151560 196924 467449 119956 373710 293708 104297 68886 237407 199634 288594 158730 253261 131268 311219 338908 1134788 97144 532233 320373 1008713 79933 Monoarachidin 81315 106972 101034 86375 82121 104752 112501 99359 85569 76763 98641 73588 88156 81567 111874 81611 91038 83755 111365 85947 90895 91560 77646 65453 78969 64706 67858 71213 82330 Monopalmitolein (9c) 162260 210559 343021 301498 301975 336848 315431 189515 295178 366164 136187 199607 199357 202882 200947 213189 112384 168489 212990 155380 111597 269879 294760 180774 152866 162557 320102 496236 344550 N-(1,1-Dimethyl-2-hydroxyethyl)-3-amino-2-hydroxypropanesulfonic acid 3677 2555 3723 3965 3059 3981 6537 4334 3193 5323 4364 4286 7734 1846 2790 5842 4286 3665 4379 3228 3761 12686 11668 30098 4381 8059 21315 12613 42834 N-(1,3-Dihydroxypropan-2-yl)-9S,11R,15S-trihydroxy-5Z,13E-prostadienoyl amine 22191 27031 20921 22904 20317 18800 21507 26186 17740 23512 20355 16203 21995 33788 22482 24665 21292 30440 29050 26733 33962 7489 12841 3140 6426 5606 3051 6130 2451 N-(8Z,11Z,14Z-Eicosatrienoyl)ethanolamine 22476 24396 21988 25461 17750 33495 28575 25375 24725 36145 23192 29362 29825 21471 29964 35222 29148 18519 27749 50444 27739 25330 21956 18295 24883 26377 26938 20594 20403 N,N-Bis(2-hydroxyethyl)-2-aminoethanesulfonic acid 52369 53876 51902 62183 42935 69228 74861 60016 39792 85883 49308 56900 102246 55336 38207 66097 50404 64115 47271 60341 43420 18849 13771 24175 16235 11804 21375 14659 18935 N,N-Dimethyl-L-valine 465344 664430 429911 741900 480669 489622 644134 594502 543340 733384 477150 517722 696143 1429106 431933 596897 805202 390102 490097 365445 586253 10954 6846 8751 15122 10913 5461 5332 18823 N-Acetylaspartylglutamic acid 41025 9614 17092 146948 131645 11398 74743 54724 36208 130984 55045 100368 73310 8958 18980 96785 114791 144190 84768 76825 19502 207636 252923 107054 53148 6600 76798 116471 62823 N-Acetyl-D-glucosamine 6-phosphate 14000 7049 12714 15375 12808 14696 15982 15399 10999 17533 15346 15591 12276 7984 10396 10719 15118 10526 20964 14275 16548 13647 16120 19031 10886 5872 16665 10193 12616 N-Acetyl-D-norleucine 351 2073 2060 1229 3118 850 1268 1193 591 1741 676 423 539 763 566 872 1311 884 403 815 821 1101 244 1505 1317 411 1624 1759 772 N-Acetylglucosaminylasparagine 14000 14077 8390 16892 13378 14885 13891 17533 11322 11900 12817 11153 13620 14581 17010 13942 13744 12077 13563 11352 16122 4436 8017 5286 5141 4063 6268 1705 6012 N-Acetyl-L-tyrosine 17369 19377 21944 15209 14723 14685 13035 21890 11278 19647 14506 14347 11573 9177 13772 14724 15914 11829 9419 12523 15162 1405 3907 2864 1217 3022 4830 2387 1319 N-Arachidonoyl-gamma-aminobutyric acid 76880 89778 79484 92743 81657 86175 96198 100188 95479 82346 84366 84582 97828 92104 100159 85713 97839 73066 88501 79441 68613 80835 78485 113802 60778 81532 67393 90127 88052 N-Arachidonoyl-3-hydroxy-gamma-aminobutyric Acid 13211 9037 10048 10257 12966 9575 17368 9902 12799 14116 9481 4389 10921 8288 12525 15243 19347 9200 10830 8961 11554 9557 13236 8887 9585 12275 9778 11942 14373 N-Arachidonoyltaurine 75511 20589 20281 59687 55630 78013 61049 66455 44119 51829 42500 75889 81356 26052 85790 75378 33566 75381 35092 57598 72169 102050 113066 125002 19622 111237 189736 121077 141580 N-Butylenrofloxacin cation 21555 40467 40457 43412 42310 44029 44354 25819 26800 44958 22681 38513 49516 39892 31741 55501 29323 45151 20330 20398 39391 19924 20783 17898 31911 24266 25301 32855 31029 N-Cyclohexanecarbonylpentadecylamine 59193 56507 21764 28758 36205 34105 21846 32897 40033 16137 27689 92190 43965 56603 38384 36505 38299 75467 101327 58200 61286 109713 94351 55178 53229 72521 59525 88468 71335 N-Glycolylneuraminic acid 8388 12618 11372 4988 9971 9168 7047 12593 9706 8030 12401 9413 8297 11676 12695 11305 7140 11686 13493 11983 12014 14601 12690 7284 17639 13160 14622 15296 10576 Nicotinic acid 1885710 2668362 2030389 1643042 1483721 6857474 1885157 3723623 2072352 1753351 2933798 1226322 1771891 7825269 13689580 2492544 2343181 1239588 1786775 1440997 2387098 889671 745026 2275258 2920844 2348592 945635 1636411 2099359 Nicotinic acid adenine dinucleotide 2459 1476 1366 2064 1313 2426 1394 1592 1455 1150 970 656 1222 748 1492 846 1088 1692 557 1371 933 1287 1432 1382 1526 1231 2247 1300 1303 Nicotinic acid mononucleotide 2166 4137 4636 2199 6256 2886 3921 4483 4847 4085 3275 4673 3331 3824 3893 2441 4415 3158 3213 3291 2506 3220 3698 3334 4245 5298 1732 2780 2490 N-Lauroyl-D-erythro-sphinganine 8007 5612 18564 6955 12611 12430 18031 8926 6902 5822 9236 9173 15927 5712 8408 6267 11456 19849 9165 16379 8582 17626 14707 38332 36577 35647 18764 39142 53067 N-Methylaniline 3302 2680 3753 5097 2341 5241 4234 3322 3534 3189 19515 15051 16984 8678 22404 37598 25432 20850 41572 9339 35787 12627 13422 10342 20227 8061 4654 10199 3688 N-Methyl-D-aspartic acid 6863959 6674636 4343552 4372269 4549953 12656537 4000791 6779570 5247858 3580384 6052609 3981796 3929138 12227809 23456500 4679527 3652164 2498077 4600484 3717782 5253524 1123891 1153727 2195532 3639529 3076740 1349774 4565502 1786496 N-Octanoyl-L-homoserine lactone 5298 298 974 6061 865 6020 5482 6651 312 3120 6866 117 5422 684 0 7880 3585 1613 3825 5600 867 7004 6242 0 9428 4736 3681 9832 9975 Nonaethylene glycol 86883 118752 120184 73673 108775 118485 109096 100638 85502 92846 53827 112753 82211 101086 109732 100660 101054 123768 81857 54733 75339 80216 107241 59535 117581 83766 66625 70357 62777 N-Stearoyltaurine 30686 41557 24258 50658 44227 37038 49280 36907 24522 22070 41072 27902 45746 31678 46369 48248 52282 41917 45061 36847 26651 35273 37031 33267 28218 34614 34284 32148 33678 O-Arachidonoylethanolamine 79407 46934 34615 38785 53388 30714 38126 64603 54031 32855 50629 54612 34113 17660 30603 31603 55845 62609 72969 30948 23474 40803 43776 26856 40071 28751 47215 34006 28341 O-Arachidonoylglycidol 119497 162904 132762 91514 157429 116191 104534 48439 89124 105422 131056 170967 94009 117896 148792 125447 134195 152261 162441 54927 55942 127352 161734 92281 74393 113656 18905 17578 48949 Octanoylcarnitine 15122 18082 22376 13932 24157 22908 13935 21423 10443 11666 26425 13130 16886 16335 21695 15003 21957 19364 29510 25649 21418 9512 14484 7272 13843 10485 14450 7667 9475 Oleanolic acid 227117 208271 261357 269067 178211 212185 196432 204627 198176 256063 239620 200912 399588 300748 395109 428566 269890 332151 180451 377219 247668 300305 262033 140231 104720 170522 219430 147463 139595 Oleoyl L-carnitine 37980 34443 29940 42161 44074 24736 28825 27679 30246 33680 22612 31596 41473 30385 37097 37440 31430 34772 25263 41550 37416 35905 33912 24847 32362 35736 61169 29872 25175 O-Succinyl-L-homoserine 4838 4049 4489 5321 4340 3883 7270 4841 5494 4528 5149 3221 4527 4290 4819 4402 5591 4520 4674 5724 6902 4551 3768 4036 7609 4584 5006 14275 6338 Palmitamide 13831 17992 26659 21367 15778 13810 18361 9501 9980 11502 11438 17785 5895 12488 9925 9502 13883 14603 23887 25863 16603 30451 22180 18855 18860 13348 26213 23849 31590 Palmitoleoyl ethanolamide 24778 29557 34359 22358 27055 32809 36540 22839 38347 24245 29302 24759 20624 23298 61039 27431 26171 28542 27165 18851 16422 36986 44252 42101 42846 56806 43667 56141 33162 Palmitoylcarnitine 27112 12626 19815 23554 27233 17294 18249 23283 14163 14994 12092 18439 34902 15378 30365 17852 14256 21208 16742 31513 34353 19927 15182 26655 16796 27203 66610 27880 23122 Palmitoyl-L-carnitine cation 54930 60118 58134 65672 65360 55417 66133 57904 55947 62594 54131 52889 67783 56517 56494 71590 71578 61065 62324 59282 52425 57189 54576 47510 44730 65258 29241 38686 49093 Pantethine 16671 20346 10751 16489 22353 23028 28075 12133 15131 20169 26228 38938 22092 28516 41981 30021 37064 22223 19551 13539 17807 15971 19630 16734 26334 31068 3269 6251 10348 Pentacarboxylporphyrin I 24452 9343 13098 33095 7044 44909 14776 14750 5145 21445 11904 15704 21781 19247 9920 23938 9177 10319 13701 23850 23431 16158 9986 6463 9969 8254 33896 23771 20968 Pentaethylene glycol 12859 7033 10723 6124 6462 6540 6649 7116 10827 4473 7365 6416 5725 2388 7151 7713 6302 6326 11018 3707 6223 8681 10383 8737 12477 5199 15891 27377 13536 Pentapropylene glycol 33678 32290 31937 34037 36152 32829 53271 47288 30210 54893 30964 39499 48235 34138 47429 37269 38334 25337 39948 77911 31396 40449 38544 40192 33016 41710 47012 42682 46166 Pentasiloxane, dodecamethyl- 9852 12927 12014 8416 6404 7007 4761 7654 7916 5901 6633 3217 4671 7424 21741 22429 7020 15249 15206 4070 0 13262 17438 18987 35395 32430 12397 23150 26262 Phospho(enol)pyruvic acid 2070 1212 1140 1975 1794 2421 906 2085 1220 1588 2103 2675 2560 3653 0 2861 1519 2252 2333 3557 2156 2332 999 2244 1381 1102 1897 1344 1644 Phosphocholine 7398 22378 12119 10684 16403 8618 19573 16348 16263 12056 9153 6537 12331 6916 8721 30827 17033 14766 10955 9137 9555 32109 44014 24998 60091 78350 30105 49090 33402 Phytosphingosine 40141 60421 0 6924 23756 31239 11567 5172 37717 11502 0 30044 0 13667 5941 3828 5320 10305 0 14906 7698 20887 35502 18779 24968 61542 30874 37804 33879 Pregna-4,16-diene-3,20-dione 42917 18577 13668 12124 7155 4745 6916 9438 14721 18167 12293 8855 7247 10532 7658 7796 6927 9274 39241 16248 10568 15222 13907 17338 9919 12206 9051 21498 22966 Propanoic acid, 2-hydroxy-2-methyl- 42346 32211 23440 27490 39576 29125 31573 24285 26215 36343 41163 39048 37445 40959 44701 44636 37778 32680 33869 19895 23292 30332 37941 24412 17231 33454 0 20574 27598 Propanoic acid, 3-amino-3-(4-fluorophenyl)- 3911 3816 2846 1235 2403 2955 4101 2019 3614 1995 2010 1737 3889 1173 4394 2272 2901 2490 2250 2611 2877 3448 4999 4103 1738 3834 2779 3608 4237 Pro-Phe 80686 148233 99030 0 133717 91212 0 75079 78975 94893 65697 92349 0 130457 166916 80528 96741 138004 133419 172011 135153 73518 59747 39431 19422 17423 38459 36257 23943 Pro-Ser-Lys 20141 19495 19967 30492 22085 41572 24165 33701 17537 24430 17302 23278 25695 40973 41429 39707 30558 34409 36043 38144 37317 15153 11421 21860 25479 18751 27895 24334 15721 Prostaglandin A1 ethyl ester 10157 34170 8653 6029 14237 10413 7869 5516 11838 6662 5181 12624 8228 9893 2822 9676 12096 8198 11463 27638 6976 10368 10828 6925 15369 52236 21839 14752 21845 Prostaglandin A1 methyl ester 71851 93336 58876 75153 102744 71501 79581 46450 72220 81235 104870 128811 100760 133850 142904 136660 146215 106038 71910 70786 88622 93535 102469 83733 102145 157892 24122 34025 38991 Prostaglandin A1-biotin 5609 2579 4117 5633 4024 3956 2991 2742 2411 1474 2293 2244 4489 1400 2385 3619 5242 6583 3862 2397 2067 2245 5478 1656 4408 3751 6081 3100 3417 Prostaglandin B1 12991 7223 7886 7839 10609 18317 9569 27537 8276 12771 12179 11706 30421 10382 7957 11106 26197 23209 10994 13239 0 20347 12018 9513 13285 10743 11848 11657 17884 Prostaglandin B2 258295 93732 120024 66664 56192 92980 50726 87006 59114 61574 51929 151313 82403 94029 69219 154301 107091 100923 71488 51681 103117 110005 136289 31226 94646 103570 56382 50066 50190 Prostaglandin D1 103224 131812 122879 149895 126162 134861 151357 154895 141173 110198 133119 69313 138008 138579 185263 156714 154262 121871 147019 125006 114295 116765 90960 127188 108805 92010 106736 120734 85237 Prostaglandin D1 alcohol 57311 61976 59964 69058 58205 72891 80955 83955 68846 79793 57275 67347 90309 67255 90145 100990 85162 64944 67364 69220 64546 66845 53696 63606 50947 45119 64560 50996 44905 Prostaglandin D2 1-glyceryl ester 39897 43597 29579 43251 33339 52535 30347 37566 41570 36081 35409 31647 31109 45312 40309 33928 28222 28980 33466 48450 49079 29664 20886 24215 41979 34586 34784 29859 29005 Prostaglandin D2 ethanolamide 16054 24827 34553 35329 33986 36027 35733 22933 14241 25056 32779 28007 33553 23017 31485 34603 29784 28415 30005 24970 23945 42349 34384 14560 20486 15876 40634 20319 26598 Prostaglandin D2 methyl ester 3226 5916 2971 0 1443 3202 0 3879 0 4011 3763 5588 0 7411 9797 0 6816 4123 4551 8436 13309 6749 4446 7813 6094 10413 3603 7080 3797 Prostaglandin E1 50950 56122 57191 53714 47034 33302 61067 56274 46738 57075 29176 40203 56992 31966 38640 79840 51730 64440 44323 58897 32348 70322 105201 90349 49464 53616 82368 82249 73549 Prostaglandin E1 alcohol 67935 84678 81423 72477 85100 99338 95663 80210 92182 89095 72877 76473 102622 77492 106274 103173 80467 79234 101266 63306 51363 76038 86506 60186 56619 52325 84680 70192 49622 Prostaglandin E2 23112 29068 32952 30252 31370 35212 36232 32270 28607 25665 33421 14796 35069 26883 35590 33863 31308 28828 31478 25172 35021 34121 27328 21346 23675 33509 35011 26530 26707 Prostaglandin E2 isopropyl ester 57082 67273 88623 85465 76435 97211 103029 68542 76731 79911 50808 44932 59304 47118 62437 64045 49540 40265 57857 19897 31969 40568 36165 34600 28163 31272 19621 22682 31229 Prostaglandin E2 methyl ester 97459 64066 139432 243423 123639 47938 250248 269967 161778 275066 70457 121307 116549 41280 52980 92374 63158 59043 112451 52098 56961 60817 54091 73554 50773 42467 134633 126756 73500 Prostaglandin E2-1-glyceryl ester 28668 15069 7966 17212 13547 15768 16262 22491 15507 12116 19935 15630 22143 28209 22080 23497 19195 18312 23567 16642 14615 1596 6434 5463 3984 6071 8666 7983 4656 Prostaglandin F2alpha 1,11-lactone 40982 39454 45115 50089 43504 42659 54273 53474 44986 38594 36803 43297 47195 44124 53738 56509 70139 51658 48933 48757 39202 49806 43716 35598 50463 53583 42835 35288 35160 Prostaglandin F2alpha Alcohol 17398 20477 38343 21281 20674 21885 24874 27824 23078 18241 17863 19979 32378 28996 23584 40962 22788 21562 15496 30575 34189 27388 24279 39335 29595 30815 21398 21226 21927 Prostaglandin F2alpha alcohol methyl ether 1155056 1541774 1377235 1181360 1510093 1356110 1808880 1153996 1614904 1788897 1516725 1912917 1368674 1298549 1630662 1537081 1581139 1302510 1240720 1208192 1041084 1458723 1477626 1387791 1823059 2220761 769362 942390 1276725 Prostaglandin F2alpha diethylamide 40981 49013 49285 56589 27849 50313 39085 41386 47120 49728 38732 41820 41726 41542 46250 36900 56099 43448 36494 22998 32501 37767 38214 32603 31825 23935 31243 42403 30889 Prostaglandin F2alpha dimethylamide 33211 29535 18906 38327 28982 44426 24345 41429 33169 30949 34154 22736 37142 33304 49602 36838 44653 24890 21041 28381 28315 30583 29529 20205 25176 25091 30060 25525 34421 Prostaglandin F2alpha isopropyl ester 0 33485 17641 26356 26901 22577 22248 21610 20890 24725 22405 24505 21953 35428 26804 33584 22558 0 24520 26690 29715 27397 19470 19497 15937 28502 29364 37201 32594 p-tert-Octylphenol decaglycol ether 61573 26019 25649 34279 26156 21051 26459 24342 21785 28668 22142 27398 23928 29251 23507 27659 23173 31786 29705 32670 37751 27741 23255 22043 35125 25627 28385 32950 35310 p-tert-Octylphenol dodecaglycol ether 15303 25664 21332 19681 27553 15363 21665 18142 14683 13164 23107 32528 17306 19312 19219 17044 17401 25237 22033 19589 27912 23115 23213 29908 46876 51664 10510 43491 34776 p-tert-Octylphenol heptaglycol ether 198698 111642 122159 123427 122144 107194 112036 100396 92234 131013 82418 92621 117208 111098 96986 121270 106484 133065 114504 135583 107610 122537 109908 99397 105202 100417 146926 104646 108390 p-tert-Octylphenol hexaglycol ether 250314 165412 193076 194318 197022 162948 159422 156801 129236 194322 113885 137308 184771 203622 145289 200215 175655 237406 167186 247906 181780 200249 172528 160527 151970 231433 235459 138382 214913 p-tert-Octylphenol nonaglycol ether 81231 45530 38978 49455 47063 42891 39276 41141 39029 46713 34654 38384 47552 47444 32936 50078 42709 49250 47772 58164 59427 46204 37010 39217 52235 42945 45400 49418 51182 p-tert-Octylphenol octaglycol ether 146860 75829 73827 91424 80154 78134 75822 70218 59999 84274 59049 62423 88495 92233 71495 85794 78620 96819 79207 107296 87904 84541 73514 88147 78903 77977 94869 86060 82112 p-tert-Octylphenol tetraglycol ether 227618 185558 182566 180970 184018 207904 124449 203421 105376 221683 75440 95601 205531 243745 136714 192377 181097 242239 140000 287592 181678 199787 179790 194723 204829 226403 259886 126166 194074 p-tert-Octylphenol undecaglycol ether 34765 13093 23369 15639 14017 16525 10099 21096 10690 10265 25805 27240 18617 27055 20035 24162 12917 28753 14458 29858 43642 22523 15214 14277 46701 18356 18257 26487 27473 PTH-tryptophan 4031 1337 2808 4573 1585 3614 2848 0 4411 5284 3665 2985 5979 2018 1763 2022 3272 3706 2765 4686 2989 3656 8016 2564 3893 3414 8535 4313 4838 Pyridoxal 23872 19269 31092 11372 18941 26873 16196 12479 18345 9606 24059 14836 13343 14623 27098 16757 14897 26230 36607 6838 7837 19950 21383 7607 11013 9957 5522 11577 9589 Pyridoxamine 5-phosphate 3498 4083 4156 3959 4592 3366 3099 3891 6337 3171 3896 2673 4093 2270 104 1767 3215 3557 3419 5818 6932 2849 2701 6045 8081 2061 0 3692 5758 Pyridoxine 26178 44455 31725 24336 38578 17715 31126 39528 10750 39895 21018 9564 44125 11650 21185 20105 39496 12033 15849 20084 39680 7421 15005 8970 5445 5836 5890 3740 7052 PyroGlu-Ala 11744 9944 10122 16980 15395 9914 11287 14801 12529 16300 13380 10491 10335 12908 11278 11815 16779 15291 17089 13960 16392 7831 8206 6510 11066 7482 4306 8182 8084 Retinal, 9-cis- 24124 22943 32238 42092 54160 30972 38119 21515 34157 37501 18857 27179 39620 21650 28285 37293 18264 16445 28437 21634 15499 16344 18309 11652 9711 9706 16318 21270 17090 S-1 Methanandamide 2000 3793 4251 2729 3762 3965 3655 5983 3258 1408 3162 2249 1975 1922 1851 1382 2412 498 4410 2952 1740 2039 740 5287 4089 6300 1159 5608 6539 S-Lactoylglutathione 2157 3618 2589 7993 6120 4761 4046 4818 4032 5706 5223 4748 4753 3931 7699 8216 5408 2801 2556 6294 5572 6696 5656 8580 7260 5281 12181 20388 19024 Stearidonic acid 271797 186355 213965 398720 287275 181794 345014 297620 254575 400904 172230 246608 265723 185875 184575 224387 149662 164960 308945 139165 115861 169741 167475 197247 96971 149477 219853 178308 170345 Stearidonic acid ethyl ester 50494 52198 65553 92582 72080 62655 89117 72268 67960 73446 50780 70210 73816 49618 68595 76337 55936 49619 59657 51085 51303 38154 40108 18968 32579 40120 43199 42663 31559 Sucrose 194526 278973 228867 165330 231873 247923 230130 318686 262924 204081 195266 177504 144765 337059 338728 282644 269531 235173 234597 347285 249126 266541 268659 290627 284313 389663 274904 243737 328398 Taurocholic acid 74461 195697 101351 93063 157060 54644 121318 121122 172463 273967 76434 148843 92803 83359 61295 94365 133533 190217 111344 219449 161181 447655 661308 373435 438553 1393624 1156311 1030432 402565 Tauroursodeoxycholic acid 42695 184656 114127 77467 93303 96491 77182 84317 186294 82696 38091 67703 3521 56411 99892 45183 50577 80366 71724 127037 154650 36982 55690 24207 132834 99134 52781 18819 24592 Testosterone 18617 17875 16391 16084 10572 15297 18683 23000 25345 5175 22655 13637 25481 10144 26544 16554 21415 8594 10919 22244 24762 6818 5202 26956 14563 16025 12375 21306 18894 Tetraethylene glycol 198427 273179 213473 253950 271357 295449 158050 248213 174660 247723 214392 172191 234974 277782 216719 291172 228784 288298 269817 567963 172350 218572 240243 194050 171771 169971 180962 120314 162815 Tetrahydrofolic acid 8398 14510 18762 7688 19534 6125 9428 7768 14055 8557 17859 17162 11625 13804 8969 13035 10914 18264 17322 9106 7353 18241 17025 10959 10411 14504 10894 11384 12524 Tetrapropylene glycol 16912 15238 12915 19047 16648 20748 19565 28287 16266 18486 21672 20603 19204 17252 17716 26845 21744 20111 18819 26949 22038 14140 18866 18964 11570 21036 23488 21813 18551 Tetrasiloxane, decamethyl- 8986 10400 19001 13993 10933 19083 16385 21532 21534 11703 12806 8807 7982 9818 35021 10639 11590 10192 13291 13726 15642 18403 17461 17242 14146 20145 9168 20950 25423 Thiamine monophosphate 14355 17827 16215 3252 13232 11037 4432 3128 16442 11344 12164 12017 3412 28590 14002 2258 7698 5110 7582 17703 18377 7945 3920 16166 29228 19759 15475 15599 22386 Thiamphenicol 178083 269569 264445 175250 250990 220627 289217 171497 244776 299854 267310 307204 209430 198304 255714 221012 245075 210729 231617 174085 150293 247008 262141 223410 283813 340202 125949 156957 198954 Thiourea, 1-naphthalenyl- 58896 144067 128795 49875 129625 63363 85866 74747 145018 89033 79869 71810 36743 132519 74834 63312 111348 107951 68443 91725 66127 154044 128335 93953 206725 247505 110614 197397 215874 Thymine 1063 1687 2285 713 1301 1000 1528 958 787 2980 1753 1276 1252 537 460 2026 1097 3700 1979 5498 7177 6220 2989 1380 5305 15540 4266 1867 11311 trans-2-Octenoic acid, ethyl ester 4478 2594 2938 9456 6143 12618 8204 8349 4829 8175 6522 5944 9148 10188 8617 15111 8830 3732 8258 5238 8326 2258 3127 3608 1443 422 2420 1880 1972 trans-4,5-Epoxy-2(E)-decenal 7458 8452 8442 3488 7797 6862 4589 7087 6356 7848 9127 3414 4963 6235 5816 8404 9035 6399 8291 7724 4940 7249 11376 6332 6917 3951 5637 6561 10701 trans-8, trans-10-Dodecadien-1-ol 11029 24031 12973 13639 23880 17602 14458 15641 11819 13025 21274 11287 18314 10755 19498 25488 15075 21706 23171 15677 23008 19494 23798 13883 13621 9614 14448 10025 15913 Tripropylene glycol 5073 8453 1073 8192 6288 8168 5461 4020 7996 4903 0 4137 3659 2978 2831 5070 3458 5572 4621 4793 5362 7046 4061 2719 4176 5923 3486 6021 4230 Trp(Dioxidation)-Lys 190905 203646 179136 81990 203984 120099 208267 144991 230098 201094 151228 203365 158813 227686 197877 271558 203050 188054 151079 284662 146923 232710 255583 220841 180872 263190 169747 168384 227461 Trp(Dioxidation)-Pro 4584 6364 28 35 3996 1991 0 0 1582 1395 5821 6535 4590 4392 3670 5731 8206 56 35 3988 1550 0 2838 3971 6158 6841 4927 14440 3201 Undecaethylene glycol tridecyl ether 15233 7635 7381 14599 8341 6206 5675 6634 5729 6551 6710 7620 8076 6173 6741 12118 6316 8833 10853 8881 11461 9418 5833 6278 6447 6276 14485 17285 16152 Unoprostone isopropyl ester 29248 27694 12429 24334 18291 29877 43576 27252 21239 21827 18774 22618 25212 13513 30778 34574 25214 21646 28524 25091 28629 23200 28644 18876 29430 34571 18728 28037 27496 Uracil 10416 19643 18889 9628 15311 14500 13419 15315 15066 11240 17450 8377 10126 14426 35521 17924 20920 18380 16119 19769 16294 10654 9106 13144 26639 16723 8850 17950 21122 Uridine, 2'-deoxy- 224629 365581 328632 212631 330547 296894 237580 246945 224829 254059 234408 173437 173473 466250 340760 241163 2203619 1267055 276604 436688 261891 6394396 4468799 4261840 3103772 2143500 3283696 1218987 2472106 Uridine, 5-methyl- 20470 11584 10155 8936 7293 9576 9131 17531 5130 9668 7698 21343 17249 12869 9225 21732 17555 17522 8756 12910 24629 16780 14769 19770 42767 24460 11872 13059 33124 Urobilin 282884 428302 1110058 382359 207398 246588 445834 290053 126783 450425 356694 196514 230706 663374 350130 338454 499367 1323189 981109 528801 573089 298728 114190 124265 39791 90000 47548 11103 6471 Xanthine 77165 160440 64113 84263 36072 321468 58904 147692 69769 61384 123820 42466 75382 472734 803808 29612 74554 67836 76014 48727 101665 35437 36042 94638 61128 62435 64891 75252 87713 Xanthosine 11533 24421 8542 10471 12953 25488 11674 24935 17427 16073 21128 12407 7586 38356 75630 9784 10132 11056 13431 12243 15186 7269 7043 11762 8704 11184 8502 6917 8917 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Tryptophan (15N2)(ISTD) (-)-N-Acetylneuraminic acid (-)-Norepinephrine (-)-Riboflavin (+/-)-7-Hydroxy-4Z,8E,10Z,13Z,16Z,19Z-docosahexaenoic acid (+/-)-8-Hydroxy-4Z,6E,10Z,13Z,16Z,19Z-docosahexaenoic acid (+/-)-Epinephrine (1S,2R)-2-(Diethylamino)-1-phenyl-1-propanol beta-Aminoadipic acid, dibutyl ester beta-Asp-Gly beta-Cryptoxanthin beta-Nicotinamide adenine dinucleotide beta-Nicotinamide mononucleotide DELTA12-Prostaglandin D2 gamma-Aminobutyric acid gamma-Glu-Cys gamma-Tocotrienol omega-3 Arachidonic acid omega-3 Arachidonic acid ethyl ester omega-3 Arachidonic acid methyl ester 1-(10Z-Heptadecenoyl)-sn-glycero-3-phosphocholine 1-(4-(4-Methoxyphenyl)-5-(1-naphthylimino)-4,5-dihydro-1,3,4-thiadiazol-2-yl)ethanone 1-(9Z-Octadecenoyl)-sn-glycero-3-phosphocholine 1-(9Z-Octadecenoyl)-sn-glycero-3-phosphoethanolamine 1,2,3-Benzenetricarboxylic acid, trimethyl ester 1,2-Benzenedicarboxylic acid, dinonyl ester 1,3,5-O-Methylidyne-2,4,6-tri-O-benzyl-myo-inositol 1,3-Dicyclohexylurea 1,6-Anhydro-beta-D-glucose, permethyl- 10-Hendecenoic acid 11(12)-EET 11alpha-Hydroxyprogesterone 11beta-Hydroxyprogesterone 11-Dehydrothromboxane B2 11-Deoxy-11-methylene-15-ketoprostaglandin D2 11-Deoxyprostaglandin E1 11-Deoxyprostaglandin F1alpha 12-Ketodeoxycholic acid 12-Oxo-5Z,8Z,10E,14Z-eicosatetraenoic acid 13(S)-HODE methyl ester 13,14-Dihydro-15-ketoprostaglandin D1 13,14-Dihydro-15-ketoprostaglandin E1 13,14-Dihydro-15-ketoprostaglandin J2 13,14-Dihydro-15-keto-tetranor prostaglandin F1beta 13,14-Dihydro-19(R)-hydroxy Prostaglandin E1 14(15)-EpETE 14(Z)-Eicosenoic acid 14,15-Leukotriene E4 15(R),19(R)-Hydroxyprostaglandin E1 15(R),19(R)-Hydroxyprostaglandin E2 15(R),19(R)-Hydroxyprostaglandin F1alpha 15(R),19(R)-Hydroxyprostaglandin F2alpha 15(R)-15-Methylprostaglandin F2alpha methyl ester 15(R)-Methylprostaglandin A2 15(S)-15-Methylprostaglandin E2 15(S)-15-Methylprostaglandin F2alpha ethyl amide 15(S)-HETE ethanolamide 15-Cyclohexyl pentanor prostaglandin F2alpha 15-Deoxy-DELTA12,14-prostaglandin J2-2-glycerol ester 15-Deoxy-DELTA12,14-prostaglandin J2-biotinamide 15-Ketoprostaglandin E1 15-Ketoprostaglandin E2 16,16-Dimethyl-6-ketoprostaglandin E1 16,16-Dimethylprostaglandin D2 16,16-Dimethylprostaglandin E1 16,16-Dimethylprostaglandin E2 p-(p-acetamidobenzamido) phenyl ester 16,16-Dimethylprostaglandin F2alpha 16-Phenoxy tetranor prostaglandin A2 16-Phenyl tetranor prostaglandin F2alpha 17(18)-EpETE 17,20,21-Trihydroxypregn-1-ene-3,11-dione 17,20-Dimethyl Prostaglandin F1alpha 17alpha-Hydroxypregnenolone 17-Epiestriol 17-Keto-(7Z,10Z,13Z,15E,19Z)-docosapentaenoic acid 17-Octadecynoic acid 17-Phenoxy trinor prostaglandin F2alpha 17-Phenyl trinor prostaglandin D2 17-Phenyl trinor prostaglandin E2 ethylamide 17-Phenyl trinor prostaglandin F2alpha cyclohexylamide 17-Phenyl trinor prostaglandin F2alpha cyclopropyl methyl amide 17-trans-Prostaglandin E3 17-Trifluoromethylphenyl trinor prostaglandin F2alpha methyl ester 17-Trifluoromethylphenyl-13,14-dihydro trinor prostaglandin F1alpha 17-Trifluoromethylphenyl-13,14-dihydro trinor prostaglandin F2alpha 18alpha-Glycyrrhetinic acid 18-Carboxy dinor leukotriene B4 19(R)-Hydroxyprostaglandin B2 19(R)-Hydroxyprostaglandin F2alpha 19,20-DiHDPA 1a,1b-Dihomo-9S,11R,15S-trihydroxy-5Z,13E-prostadienoic acid 1-Arachidoyl-2-hydroxy-sn-glycero-3-phosphocholine 1-Hexadecanoyl-sn-glycero-3-phosphocholine 1-Hexadecanoyl-sn-glycerol 1H-Indole-2-carboxylic acid, ethyl ester 1H-Indole-3-propanoic acid 1H-Indole-4-carboxaldehyde 1-Linoleoylglycerol 1-Methyl-4-pyridone-5-carboxamide 1-Nonadecanoyl-sn-glycero-3-phosphocholine 1-Palmitoyl-2-glutaryl phosphatidylcholine 1-Pentadecanoyl-sn-glycero-3-phosphocholine 1-Stearoyl-2-hydroxy-sn-glycero-3-phosphocholine 1-Stearoyl-2-linoleoyl-sn-glycerol 2-(14,15-Epoxyeicosatrienoyl)glycerol 2-(2-Chloro-4-methylsulfonylbenzoyl)cyclohexane-1,3-dione 2,2-Bis[hydroxymethyl]-2,2',2''-nitrilotriethanol 2,2'-Dihydroxy-4',6'-dimethoxychalcone 2,3-Naphthalenedicarboxylic acid 2',4',6'-Trimethoxychalcone 2',4'-Dihydroxy-2,3-dimethoxychalcone 2',4'-Dihydroxyflavone 2',4'-Dimethoxy-3-hydroxyflavone 2,5-Di-tert-butyl-1,4-benzoquinone 2,6-Diaminopimelic acid 2',6'-Dimethoxychalcone 2alpha-Hydroxytestosterone 20a,20b-Dihomo-9-oxo-11R,15S-dihydroxy-5Z,13E-prostadienoic acid 20-HETE ethanolamide 20-Hydroxycholesterol 21-Hydroxyprogesterone 2-Amino-1-phenylethanol 2-Amino-5,8-dihydro-1H-pteridine-4,6,7-trione 2-Amino-5-nitrobenzophenone 2-Aminoisobutyric acid 2-Butanone, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)- 2-Chloroadenosine 2'-Deoxycytidine 5'-monophosphate 2-Ethylcyclohexanol 2-Fluoro-5-nitrobenzaldehyde 2'-Hydroxy-2,5,6'-trimethoxychalcone 2'-Hydroxy-5'-methoxyacetophenone 2-Hydroxychalcone 2-Keto-L-gulonic acid 2-Nitro-4-(trifluoromethyl)benzaldehyde 2-Phenylethynesulfonamide 2-Propenoic acid, 3-(4-methoxyphenyl)- 3-(2-Pyridyl)propan-1-ol 3-(3,4-Dimethoxyphenyl)-4,6-dimethylcoumarin 3-(3,4-Dimethoxyphenyl)-6-methoxy-4-methylcoumarin 3-(3,4-Dimethoxyphenyl)-7-hydroxy-4-phenylcoumarin 3-(3,4-Dimethoxyphenyl)-7-methoxy-4-phenylcoumarin 3-(3,4-Dimethoxyphenyl)-7-methoxycoumarin 3-(3,4-Dimethoxyphenyl)-7-methyl-4-phenylcoumarin 3-(N-Morpholino)-2-hydroxypropane sulfonic acid 3,2',4',5'-Tetramethoxyflavone 3,2'-Dimethoxyflavone 3,4'-Dihydroxyflavone 3,4-Dihydroxy-L-phenylalanine 3,4-Dimethoxy-2'-hydroxychalcone 3',4'-Dimethoxy-3-hydroxy-6-methylflavone 3,4-Dimethoxybenzoic acid 3,4-Diphenyl-7-methoxycoumarin 3,5,3',5'-Tetra-tert-butyldiphenoquinone 3,5,7-Trihydroxy-3',4',5'-trimethoxyflavone 3,5-Dihydroxyflavone 3',5'-Dimethoxy-3,5,7,4'-tetrahydroxyflavone 3,6,2'-Trihydroxyflavone 3,6-Dimethylchromone 3,7,3',4',5'-Pentahydroxyflavone 3,7-Dihydroxy-3',4'-dimethoxyflavone 3alpha,17alpha,21-Trihydroxy-5beta-pregnane-11,20-dione 3beta-14,16beta-Trihydroxy-5beta-bufa-20,22-dienolide 3beta-Hydroxy-5-cholenoic acid 3-[(3-Cholamidopropyl)dimethylammonio]-1-propanesulfonate 3-Amino-3-(2-chlorophenyl)propionic acid 3-Amino-3-(4-methylphenyl)propionic acid 3-Amino-4-hydroxyphenyl sulfone 3-Aminocoumarin 3'-Dephospho coenzyme A 3-Hydroxy-3-(2-(2-hydroxyphenyl)-2-oxoethyl)-1,3-dihydro-2H-indol-2-one 3-Hydroxy-3',4',5'-trimethoxyflavone 3-Hydroxy-6,2',4'-trimethoxyflavone 3-Hydroxycoumarin 3-Hydroxyflavone 3-Hydroxyoctadecanoic Acid 3-Methoxyprostaglandin F1alpha 3-Phenoxypropionic acid 3-Phosphoglyceric acid 3'-Sialyllactose 4,2'-Dihydroxy-3-methoxychalcone 4',6-Dimethoxyisoflavone-7-O-beta-D-glucopyranoside 4,6-Dimethyl-3,7-di(4-methoxyphenyl)-2,8-dioxo-2H,8H-benzo(1,2-b:5,4-b') dipyran 4-Chloro-3-sulfamoylbenzoic acid 4-Chloromethandienone 4-Hydroxy-7-trifluoromethyl-3-quinolinecarboxylic acid 4-Hydroxybenzaldehyde 4-Methyl-2',4',6'-trimethoxychalcone 5-(2-Hydroxyethyl)-4-methylthiazole 5,2'-Dimethoxyflavone 5,3'-Dihydroxy-6,7,4'-trimethoxyflavone 5,7,3',4',5'-Pentamethoxyflavone 5,7-Dimethoxy-3-hydroxyflavone 5,8,11,14-Eicosatetraynoic acid 5alpha-Androstane-3,17-dione 5alpha-Pregnan-3alpha-ol-11,20-dione 5beta-Androsterone 5beta-Pregnane-3alpha,20alpha-diol 5-Aminoimidazole-4-carboxamide-1-betaD-ribofuranosyl 5'-monophosphate 5-Aminoorotic acid 5-Aminovaleric acid 5-Methyl-5,6-Dihydrouracil 5-Pregnen-3,20-dione 5-Pregnen-3beta-ol-20-one 5-trans-17-Phenyl trinor Prostaglandin F2alpha ethyl amide 6,2'-Dimethoxy-3-hydroxyflavone 6,4'-Dimethoxy-7-hydroxyisoflavone 6,7,3',4'-Tetramethoxyisoflavone 6,7-Dimethoxy-4-ethylcoumarin 6alpha-Methylprednisolone 6beta-Hydroxytestosterone 6beta-Testosterone enanthate 6-Aminocaproic acid 6-Azauridine 6-Ethoxy-3-(4-methoxyphenyl)-4-methylcoumarin 6-Hydroxydopamine 6-Hydroxymelatonin 6-Keto Testosterone Enanthate 6-Ketoprostaglandin E1 6-Methoxy-3-phenylcoumarin 6''-O-Acetylgenistin 7,4'-Dihydroxyflavone 7,8-Dihydro-L-Biopterin 7,8-Dimethoxyflavone 7-Allyloxy-4-methylcoumarin 7-Diethylamino-3-(4-ethoxyphenyl)coumarin 7-Ethoxy-3-(4-methoxyphenyl)-4-phenylcoumarin 7-Hydroxycoumarinyl-gamma-linolenate 7-Methylguanine 7-Methylguanosine 8-iso-15-Ketoprostaglandin F2alpha 9-Oxo-11R,15S-dihydroxy-1a,1b-dihomo-13E-prostaenoic acid 9-Oxo-11R,15S-dihydroxy-5Z,13E,17Z-prostatrienoic acid 9-Oxo-15S-hydroxy-5Z,10Z,13E,17Z-prostatetraenoic acid 9-Oxo-prosta-10,12Z,14E-trienoic acid 9S,11R,15S-Trihydroxy-20a,20b-dihomo-5Z,13E-prostadienoic acid 9S,11R-Dihydroxy-15-oxo-13E-prostenoic acid 9S,11R-Dihydroxy-15-oxo-5Z,13E-prostadienoic acid 9S,11S,15S-Trihydroxy-2,3-dinor-5Z,13E-prostadienoic acid 9S,15S-Dihydroxy-11-oxothromboxa-5Z,13E,17Z-trienoic acid Adenine Adenine, N6-methyl Adenosine Adenosine 5'-diphosphoribose Adenosine 5'-monophosphate Adenosine, 5'-S-methyl-5'-thio- Adenylyl(3'-5')cytidine Adrenosterone Aflatoxin G2 AICAR Aldosterone Amidopyrine, desmethyl Androst-4-en-3-one, 17- (1-oxopropoxy)-, (17beta)- Arachidonic acid ethyl ester Arachidonic acid leelamide Arachidonoyl amide Arachidonoyl p-nitroaniline Arachidonoyl-1-thioglycerol Arachidonoylserotonin Argininosuccinic acid Azelaic acid Batyl alcohol Benzamidine Benzenamine, N,N-dimethyl- Benzenemethanol, alpha-methyl- Benzoic acid, 4-(methylthio)- Biotin Bis(4-fluoro-3-nitrophenyl)sulfone Cholest-4-en-26-oic acid, 3-oxo Cholest-5-ene-3beta,22(S)-diol Cholest-5-ene-3beta,4beta-diol Cholesta-4,6-dien-3-one Cholesterol Cholic acid cis-10-Heptadecenoic acid cis-11-Eicosenoic acid cis-13-Docosenoic acid cis-5,8,11-Eicosatrienoic acid cis-7,10,13,16,19-Docosapentaenoic acid cis-7-Hexadecenoic acid methyl ester cis-8,11,14-Eicosatrienoic acid cis-9-Hexadecenoic acid Clasto-lactacystin beta-lactone Conjugated linoleic acid (9E,11E) Corticosterone Corticosterone 21-acetate Cortisone Cortisone acetate Creatine Cyanidin cation Cyclocytidine Cyclohexasiloxane, dodecamethyl- Cyclopaldic acid Cyclotetrasiloxane, octamethyl- Cyprodinil Cytidine Cytidine 5'-diphosphocholine D-(+)-Arabitol Decaethylene glycol Delphinidin cation Deoxyaconitine Deoxycholic acid D-erythro-C18-Sphingosine D-Gluconic acid, delta-lactone D-Gluconic acid, permethyl-, methyl ester D-Glucosamine 1-phosphate D-Glucosyl-beta1-1'-D-erythro-sphingosine Di(propylene glycol) butyl ether Dihydrotachysterol Dilinolenin (9c,12c,15c) Dipalmitolein (9c) DL-Indole-3-lactic acid DL-Mevalonic acid lactone DL-Norepinephrine DL-Norleucine methyl ester DL-Octopamine D-Mannitol D-Mannitol 1-phosphate D-myo-Inositol-2,3,5,6-tetraphosphate Dopamine Enterostatin human Epitestosterone Ergocalciferol Ergothioneine Eriodictyol-7-O-glucoside Erythritol bis(carbonate) Estriol 16alpha-(beta-D-glucuronide) Glutathione, oxidized Glycan 3-Fucosyllactose Glycan 6-Sialylgalactose Glycan Chitobiose Glycan Lacto-N-triaose Glycan Le-X Trisaccharide Glycan LNT Glycan Man1 Glycitein Glycocholic acid Glycodeoxycholic acid Glycolic acid heptaethoxylate 4-tert-butylphenyl ether Glycolic acid hexaethoxylate 4-tert-butylphenyl ether Glycoursodeoxycholic acid Guanine Guanosine 5'-monophosphate Guanosine, 2'-deoxy- Heptanoylcarnitine Herbacetin Hexadecylacetylglycerol Hexaethylene glycol Hexanedioic acid, 2-amino- Hyodeoxycholic acid Hypoxanthine Iminodiacetic acid Inosine, 2'-deoxy- Isovalerylcarnitine Ketogluconic acid methyl ester Kifunensine Kynurenic acid L-(-)-Arabitol, permethyl- L-gamma-Glutamyl-L-glutamic Acid Lactacystin Lauroyl L-carnitine L-Citrulline Leukotriene B4 Leukotriene C4 Leukotriene D4 methyl ester Leukotriene E4 L-Glutamic acid L-Glutamine L-Histidinol L-Homocystine L-Homoserine Linoleic acid ethyl ester Linoleoyl ethanolamide Lipoxin A5 L-Isoleucine Lithocholic acid L-Methionine L-N5-(1-Imino-3-pentenyl) ornithine L-Phenylalanine, N-acetyl- L-Proline L-Saccharopine L-Sorbose L-Thyronine L-Tryptophan L-Tyrosine Maltol Maltopentaose Maltotetraose Medroxyprogesterone Medroxyprogesterone 17-acetate Melibiose Mesoporphyrin IX Mesterolone Methionine sulfoxide Methyl 12-hydroxystearate Methyl 6,7-dimethoxycoumarin-4-acetate Methyl hexadecanoate Methylprednisolone succinate Monoarachidin Monopalmitolein (9c) N-(1,1-Dimethyl-2-hydroxyethyl)-3-amino-2-hydroxypropanesulfonic acid N-(1,3-Dihydroxypropan-2-yl)-9S,11R,15S-trihydroxy-5Z,13E-prostadienoyl amine N-(8Z,11Z,14Z-Eicosatrienoyl)ethanolamine N,N-Bis(2-hydroxyethyl)-2-aminoethanesulfonic acid N,N-Dimethyl-L-valine N-Acetylaspartylglutamic acid N-Acetyl-D-glucosamine 6-phosphate N-Acetyl-D-norleucine N-Acetylglucosaminylasparagine N-Acetyl-L-tyrosine N-Arachidonoyl-gamma-aminobutyric acid N-Arachidonoyl-3-hydroxy-gamma-aminobutyric Acid N-Arachidonoyltaurine N-Butylenrofloxacin cation N-Cyclohexanecarbonylpentadecylamine N-Glycolylneuraminic acid Nicotinic acid Nicotinic acid adenine dinucleotide Nicotinic acid mononucleotide N-Lauroyl-D-erythro-sphinganine N-Methylaniline N-Methyl-D-aspartic acid N-Octanoyl-L-homoserine lactone Nonaethylene glycol N-Stearoyltaurine O-Arachidonoylethanolamine O-Arachidonoylglycidol Octanoylcarnitine Oleanolic acid Oleoyl L-carnitine O-Succinyl-L-homoserine Palmitamide Palmitoleoyl ethanolamide Palmitoylcarnitine Palmitoyl-L-carnitine cation Pantethine Pentacarboxylporphyrin I Pentaethylene glycol Pentapropylene glycol Pentasiloxane, dodecamethyl- Phospho(enol)pyruvic acid Phosphocholine Phytosphingosine Pregna-4,16-diene-3,20-dione Propanoic acid, 2-hydroxy-2-methyl- Propanoic acid, 3-amino-3-(4-fluorophenyl)- Pro-Phe Pro-Ser-Lys Prostaglandin A1 ethyl ester Prostaglandin A1 methyl ester Prostaglandin A1-biotin Prostaglandin B1 Prostaglandin B2 Prostaglandin D1 Prostaglandin D1 alcohol Prostaglandin D2 1-glyceryl ester Prostaglandin D2 ethanolamide Prostaglandin D2 methyl ester Prostaglandin E1 Prostaglandin E1 alcohol Prostaglandin E2 Prostaglandin E2 isopropyl ester Prostaglandin E2 methyl ester Prostaglandin E2-1-glyceryl ester Prostaglandin F2alpha 1,11-lactone Prostaglandin F2alpha Alcohol Prostaglandin F2alpha alcohol methyl ether Prostaglandin F2alpha diethylamide Prostaglandin F2alpha dimethylamide Prostaglandin F2alpha isopropyl ester p-tert-Octylphenol decaglycol ether p-tert-Octylphenol dodecaglycol ether p-tert-Octylphenol heptaglycol ether p-tert-Octylphenol hexaglycol ether p-tert-Octylphenol nonaglycol ether p-tert-Octylphenol octaglycol ether p-tert-Octylphenol tetraglycol ether p-tert-Octylphenol undecaglycol ether PTH-tryptophan Pyridoxal Pyridoxamine 5-phosphate Pyridoxine PyroGlu-Ala Retinal, 9-cis- S-1 Methanandamide S-Lactoylglutathione Stearidonic acid Stearidonic acid ethyl ester Sucrose Taurocholic acid Tauroursodeoxycholic acid Testosterone Tetraethylene glycol Tetrahydrofolic acid Tetrapropylene glycol Tetrasiloxane, decamethyl- Thiamine monophosphate Thiamphenicol Thiourea, 1-naphthalenyl- Thymine trans-2-Octenoic acid, ethyl ester trans-4,5-Epoxy-2(E)-decenal trans-8, trans-10-Dodecadien-1-ol Tripropylene glycol Trp(Dioxidation)-Lys Trp(Dioxidation)-Pro Undecaethylene glycol tridecyl ether Unoprostone isopropyl ester Uracil Uridine, 2'-deoxy- Uridine, 5-methyl- Urobilin Xanthine Xanthosine METABOLITES_END #END